NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
502983 |
2l9s   |
17485 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 33}
(( segid "PAH2" and resid 322 and name HB1 ))
(( segid "PAH2" and resid 322 and name HD2 ))
4.100 2.100 1.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.12773E-02 ppm1 3.472 ppm2 2.458 CV 1
OR { 33}
(( segid "PAH2" and resid 321 and name HG1 ))
(( segid "PAH2" and resid 322 and name HD2 ))
ASSI { 60}
(( segid "PAH2" and resid 303 and name HG2 ))
( segid "PAH2" and resid 302 and name HG2%)
4.000 2.000 2.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.12248E-02 ppm1 0.925 ppm2 2.388 CV 1
OR { 60}
(( segid "PAH2" and resid 303 and name HG1 ))
( segid "PAH2" and resid 302 and name HG2%)
OR { 60}
(( segid "PAH2" and resid 301 and name HB1 ))
( segid "PAH2" and resid 302 and name HG2%)
ASSI { 68}
(( segid "PAH2" and resid 359 and name HA ))
( segid "PAH2" and resid 362 and name HG2%)
3.800 1.800 1.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.75623E-03 ppm1 -0.382 ppm2 3.795 CV 1
OR { 68}
(( segid "PAH2" and resid 363 and name HA ))
( segid "PAH2" and resid 362 and name HG2%)
ASSI { 73}
( segid "PAH2" and resid 373 and name HD2%)
( segid "PAH2" and resid 362 and name HG2%)
3.400 1.400 1.400 peak 73 spectrum 1 weight 0.10000E+01 volume 0.18271E-02 ppm1 -0.385 ppm2 0.848 CV 1
OR { 73}
( segid "PAH2" and resid 331 and name HG2%)
( segid "PAH2" and resid 362 and name HG2%)
OR { 73}
( segid "PAH2" and resid 358 and name HG2%)
( segid "PAH2" and resid 362 and name HG2%)
ASSI { 77}
(( segid "PAH2" and resid 376 and name HZ ))
( segid "PAH2" and resid 362 and name HG2%)
3.100 1.200 1.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.13720E-02 ppm1 -0.389 ppm2 -1.157 CV 1
OR { 77}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 362 and name HG2%)
ASSI { 120}
(( segid "PAH2" and resid 313 and name HE1 ))
( segid "PAH2" and resid 372 and name HD1%)
3.800 1.800 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.71563E-03 ppm1 0.537 ppm2 2.938 CV 1
OR { 120}
(( segid "PAH2" and resid 366 and name HB2 ))
( segid "PAH2" and resid 372 and name HD1%)
ASSI { 123}
(( segid "PAH2" and resid 313 and name HD2 ))
( segid "PAH2" and resid 372 and name HD1%)
2.900 1.000 1.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.36880E-02 ppm1 0.534 ppm2 1.679 CV 1
OR { 123}
(( segid "PAH2" and resid 317 and name HB1 ))
( segid "PAH2" and resid 372 and name HD1%)
OR { 123}
(( segid "PAH2" and resid 313 and name HD1 ))
( segid "PAH2" and resid 372 and name HD1%)
ASSI { 124}
(( segid "PAH2" and resid 313 and name HG2 ))
( segid "PAH2" and resid 372 and name HD1%)
2.400 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.51091E-02 ppm1 0.534 ppm2 1.161 CV 1
OR { 124}
(( segid "PAH2" and resid 317 and name HB2 ))
( segid "PAH2" and resid 372 and name HD1%)
ASSI { 129}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 332 and name HD1%)
3.000 3.000 3.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.75281E-03 ppm1 0.522 ppm2 -0.786 CV 1
OR { 129}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 372 and name HD1%)
ASSI { 130}
( segid "PAH2" and resid 328 and name HE% )
( segid "PAH2" and resid 332 and name HD1%)
3.200 1.300 1.300 peak 130 spectrum 1 weight 0.10000E+01 volume 0.17594E-02 ppm1 0.534 ppm2 -1.034 CV 1
OR { 130}
( segid "PAH2" and resid 310 and name HD% )
( segid "PAH2" and resid 372 and name HD1%)
OR { 130}
( segid "PAH2" and resid 318 and name HE% )
( segid "PAH2" and resid 372 and name HD1%)
ASSI { 133}
( segid "PAH2" and resid 332 and name HD1%)
( segid "PAH2" and resid 358 and name HG2%)
2.100 2.100 3.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.69360E-02 ppm1 0.829 ppm2 0.512 CV 1
OR { 133}
( segid "PAH2" and resid 362 and name HG1%)
( segid "PAH2" and resid 358 and name HG2%)
OR { 133}
( segid "PAH2" and resid 380 and name HD1%)
( segid "PAH2" and resid 358 and name HG2%)
ASSI { 157}
( segid "PAH2" and resid 294 and name HB% )
(( segid "PAH2" and resid 294 and name HA ))
2.200 0.600 0.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.15767E-01 ppm1 4.246 ppm2 1.379 CV 1
OR { 157}
( segid "PAH2" and resid 352 and name HB% )
(( segid "PAH2" and resid 352 and name HA ))
ASSI { 165}
(( segid "PAH2" and resid 348 and name HB1 ))
(( segid "PAH2" and resid 348 and name HA ))
2.400 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.90172E-02 ppm1 4.769 ppm2 2.872 CV 1
OR { 165}
(( segid "PAH2" and resid 299 and name HB1 ))
(( segid "PAH2" and resid 299 and name HA ))
OR { 165}
(( segid "PAH2" and resid 298 and name HB1 ))
(( segid "PAH2" and resid 298 and name HA ))
ASSI { 166}
(( segid "PAH2" and resid 298 and name HB2 ))
(( segid "PAH2" and resid 298 and name HA ))
2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.81203E-02 ppm1 4.769 ppm2 2.774 CV 1
OR { 166}
(( segid "PAH2" and resid 348 and name HB2 ))
(( segid "PAH2" and resid 348 and name HA ))
OR { 166}
(( segid "PAH2" and resid 299 and name HB2 ))
(( segid "PAH2" and resid 299 and name HA ))
ASSI { 176}
(( segid "PAH2" and resid 311 and name HA ))
( segid "PAH2" and resid 311 and name HG2%)
2.800 1.000 1.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.28252E-02 ppm1 1.104 ppm2 3.431 CV 1
OR { 176}
(( segid "PAH2" and resid 308 and name HA ))
( segid "PAH2" and resid 311 and name HG2%)
ASSI { 177}
(( segid "PAH2" and resid 315 and name HE2 ))
( segid "PAH2" and resid 311 and name HG2%)
3.300 3.300 2.700 peak 177 spectrum 1 weight 0.10000E+01 volume 0.81203E-03 ppm1 1.102 ppm2 2.844 CV 1
OR { 177}
(( segid "PAH2" and resid 315 and name HE1 ))
( segid "PAH2" and resid 311 and name HG2%)
OR { 177}
(( segid "PAH2" and resid 313 and name HE2 ))
( segid "PAH2" and resid 311 and name HG2%)
OR { 177}
(( segid "PAH2" and resid 305 and name HB2 ))
( segid "PAH2" and resid 311 and name HG2%)
ASSI { 179}
(( segid "PAH2" and resid 314 and name HB ))
( segid "PAH2" and resid 311 and name HG2%)
4.000 2.000 2.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.10844E-02 ppm1 1.104 ppm2 1.829 CV 1
OR { 179}
(( segid "PAH2" and resid 308 and name HB ))
( segid "PAH2" and resid 311 and name HG2%)
ASSI { 184}
( segid "PAH2" and resid 325 and name HE% )
( segid "PAH2" and resid 311 and name HG2%)
3.100 1.200 1.200 peak 184 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 1.105 ppm2 -1.196 CV 1
OR { 184}
( segid "PAH2" and resid 310 and name HE% )
( segid "PAH2" and resid 311 and name HG2%)
ASSI { 188}
(( segid "PAH2" and resid 358 and name HA ))
( segid "PAH2" and resid 362 and name HG1%)
4.700 2.700 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.34512E-03 ppm1 0.533 ppm2 3.418 CV 1
OR { 188}
(( segid "PAH2" and resid 328 and name HB1 ))
( segid "PAH2" and resid 362 and name HG1%)
OR { 188}
(( segid "PAH2" and resid 376 and name HB2 ))
( segid "PAH2" and resid 362 and name HG1%)
ASSI { 191}
( segid "PAH2" and resid 331 and name HG2%)
( segid "PAH2" and resid 362 and name HG1%)
2.500 0.800 0.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.10015E-01 ppm1 0.530 ppm2 0.836 CV 1
OR { 191}
( segid "PAH2" and resid 365 and name HD1%)
( segid "PAH2" and resid 362 and name HG1%)
OR { 191}
( segid "PAH2" and resid 373 and name HD2%)
( segid "PAH2" and resid 362 and name HG1%)
ASSI { 192}
( segid "PAH2" and resid 331 and name HD1%)
( segid "PAH2" and resid 362 and name HG1%)
2.600 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.10523E-01 ppm1 0.529 ppm2 0.735 CV 1
OR { 192}
( segid "PAH2" and resid 365 and name HD2%)
( segid "PAH2" and resid 362 and name HG1%)
ASSI { 197}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 362 and name HG1%)
3.300 1.300 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.18440E-02 ppm1 0.526 ppm2 -1.144 CV 1
OR { 197}
(( segid "PAH2" and resid 376 and name HZ ))
( segid "PAH2" and resid 362 and name HG1%)
ASSI { 198}
(( segid "PAH2" and resid 299 and name HB1 ))
(( segid "PAH2" and resid 299 and name HA ))
2.300 0.600 0.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.12891E-01 ppm1 4.731 ppm2 2.820 CV 1
OR { 198}
(( segid "PAH2" and resid 298 and name HB1 ))
(( segid "PAH2" and resid 298 and name HA ))
OR { 198}
(( segid "PAH2" and resid 299 and name HB2 ))
(( segid "PAH2" and resid 299 and name HA ))
ASSI { 202}
(( segid "PAH2" and resid 364 and name HA ))
( segid "PAH2" and resid 373 and name HD2%)
3.800 1.800 1.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.10963E-02 ppm1 0.851 ppm2 4.039 CV 1
OR { 202}
(( segid "PAH2" and resid 367 and name HA ))
( segid "PAH2" and resid 373 and name HD2%)
OR { 202}
(( segid "PAH2" and resid 360 and name HA ))
( segid "PAH2" and resid 373 and name HD2%)
ASSI { 203}
(( segid "PAH2" and resid 376 and name HB2 ))
( segid "PAH2" and resid 373 and name HD2%)
2.700 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.18440E-02 ppm1 0.855 ppm2 3.420 CV 1
OR { 203}
(( segid "PAH2" and resid 328 and name HB1 ))
( segid "PAH2" and resid 373 and name HD2%)
ASSI { 207}
(( segid "PAH2" and resid 331 and name HB ))
( segid "PAH2" and resid 362 and name HG1%)
4.300 2.300 1.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.52614E-03 ppm1 0.531 ppm2 1.804 CV 1
OR { 207}
(( segid "PAH2" and resid 331 and name HG11))
( segid "PAH2" and resid 362 and name HG1%)
OR { 207}
(( segid "PAH2" and resid 364 and name HG1 ))
( segid "PAH2" and resid 362 and name HG1%)
ASSI { 208}
(( segid "PAH2" and resid 373 and name HB1 ))
( segid "PAH2" and resid 362 and name HG1%)
4.700 2.700 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.30283E-03 ppm1 0.529 ppm2 2.136 CV 1
OR { 208}
(( segid "PAH2" and resid 375 and name HB1 ))
( segid "PAH2" and resid 362 and name HG1%)
ASSI { 215}
(( segid "PAH2" and resid 335 and name HB1 ))
( segid "PAH2" and resid 358 and name HG1%)
4.300 2.300 1.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.79850E-03 ppm1 0.945 ppm2 3.281 CV 1
OR { 215}
(( segid "PAH2" and resid 359 and name HB1 ))
( segid "PAH2" and resid 358 and name HG1%)
ASSI { 216}
(( segid "PAH2" and resid 359 and name HB2 ))
( segid "PAH2" and resid 358 and name HG1%)
3.700 1.700 1.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.93723E-03 ppm1 0.945 ppm2 2.987 CV 1
OR { 216}
(( segid "PAH2" and resid 335 and name HB2 ))
( segid "PAH2" and resid 358 and name HG1%)
ASSI { 223}
( segid "PAH2" and resid 294 and name HB% )
( segid "PAH2" and resid 296 and name HD2%)
3.400 1.400 1.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.16562E-02 ppm1 0.841 ppm2 1.375 CV 1
OR { 223}
(( segid "PAH2" and resid 362 and name HB ))
( segid "PAH2" and resid 373 and name HD2%)
ASSI { 226}
( segid "PAH2" and resid 362 and name HG1%)
( segid "PAH2" and resid 358 and name HG1%)
3.500 1.500 1.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.82047E-03 ppm1 0.946 ppm2 0.510 CV 1
OR { 226}
( segid "PAH2" and resid 332 and name HD1%)
( segid "PAH2" and resid 358 and name HG1%)
ASSI { 228}
( segid "PAH2" and resid 359 and name HE% )
( segid "PAH2" and resid 373 and name HD2%)
3.600 1.600 1.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.98124E-03 ppm1 0.855 ppm2 -1.156 CV 1
OR { 228}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 373 and name HD2%)
ASSI { 229}
(( segid "PAH2" and resid 376 and name HZ ))
( segid "PAH2" and resid 358 and name HG1%)
3.400 1.400 1.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.16613E-02 ppm1 0.951 ppm2 -1.141 CV 1
OR { 229}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 358 and name HG1%)
ASSI { 248}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 311 and name HG1%)
3.900 1.900 1.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.47538E-03 ppm1 1.065 ppm2 -1.173 CV 1
OR { 248}
( segid "PAH2" and resid 310 and name HE% )
( segid "PAH2" and resid 311 and name HG1%)
ASSI { 270}
(( segid "PAH2" and resid 300 and name HG1 ))
(( segid "PAH2" and resid 300 and name HA ))
3.100 1.200 1.200 peak 270 spectrum 1 weight 0.10000E+01 volume 0.33158E-02 ppm1 4.681 ppm2 2.376 CV 1
OR { 270}
(( segid "PAH2" and resid 357 and name HG2 ))
(( segid "PAH2" and resid 353 and name HA ))
OR { 270}
(( segid "PAH2" and resid 301 and name HB1 ))
(( segid "PAH2" and resid 300 and name HA ))
ASSI { 272}
(( segid "PAH2" and resid 357 and name HB2 ))
(( segid "PAH2" and resid 353 and name HA ))
3.800 1.800 1.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 4.679 ppm2 2.095 CV 1
OR { 272}
(( segid "PAH2" and resid 301 and name HG2 ))
(( segid "PAH2" and resid 300 and name HA ))
OR { 272}
(( segid "PAH2" and resid 301 and name HG1 ))
(( segid "PAH2" and resid 300 and name HA ))
ASSI { 291}
(( segid "PAH2" and resid 366 and name HB2 ))
(( segid "PAH2" and resid 363 and name HA ))
4.100 2.100 1.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.28422E-03 ppm1 3.775 ppm2 2.917 CV 1
OR { 291}
(( segid "PAH2" and resid 362 and name HA ))
(( segid "PAH2" and resid 363 and name HA ))
ASSI { 294}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 363 and name HA ))
4.000 2.000 2.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.95585E-03 ppm1 3.777 ppm2 4.035 CV 1
OR { 294}
(( segid "PAH2" and resid 360 and name HA ))
(( segid "PAH2" and resid 363 and name HA ))
ASSI { 295}
(( segid "PAH2" and resid 316 and name HB1 ))
(( segid "PAH2" and resid 316 and name HA ))
2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.66995E-02 ppm1 4.350 ppm2 2.738 CV 1
OR { 295}
(( segid "PAH2" and resid 312 and name HB1 ))
(( segid "PAH2" and resid 312 and name HA ))
ASSI { 296}
(( segid "PAH2" and resid 309 and name HB2 ))
(( segid "PAH2" and resid 309 and name HA ))
2.200 0.600 0.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.17256E-01 ppm1 4.439 ppm2 2.896 CV 1
OR { 296}
(( segid "PAH2" and resid 371 and name HB1 ))
(( segid "PAH2" and resid 371 and name HA ))
ASSI { 325}
(( segid "PAH2" and resid 371 and name HB2 ))
(( segid "PAH2" and resid 371 and name HA ))
2.200 0.600 0.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.15310E-01 ppm1 4.422 ppm2 2.701 CV 1
OR { 325}
(( segid "PAH2" and resid 312 and name HB1 ))
(( segid "PAH2" and resid 309 and name HA ))
ASSI { 327}
(( segid "PAH2" and resid 371 and name HB2 ))
(( segid "PAH2" and resid 371 and name HA ))
2.500 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.71054E-02 ppm1 4.410 ppm2 2.710 CV 1
OR { 327}
(( segid "PAH2" and resid 323 and name HB1 ))
(( segid "PAH2" and resid 323 and name HA ))
ASSI { 332}
(( segid "PAH2" and resid 326 and name HD1 ))
(( segid "PAH2" and resid 323 and name HA ))
2.900 1.100 1.100 peak 332 spectrum 1 weight 0.10000E+01 volume 0.34343E-02 ppm1 4.394 ppm2 1.685 CV 1
OR { 332}
(( segid "PAH2" and resid 326 and name HD2 ))
(( segid "PAH2" and resid 323 and name HA ))
OR { 332}
(( segid "PAH2" and resid 373 and name HB2 ))
(( segid "PAH2" and resid 372 and name HA ))
ASSI { 344}
(( segid "PAH2" and resid 329 and name HB1 ))
(( segid "PAH2" and resid 329 and name HA ))
3.500 1.500 1.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.97274E-03 ppm1 3.480 ppm2 1.806 CV 1
OR { 344}
(( segid "PAH2" and resid 332 and name HB1 ))
(( segid "PAH2" and resid 329 and name HA ))
ASSI { 358}
(( segid "PAH2" and resid 343 and name HG2 ))
(( segid "PAH2" and resid 343 and name HA ))
3.200 1.300 1.300 peak 358 spectrum 1 weight 0.10000E+01 volume 0.20301E-02 ppm1 4.112 ppm2 1.457 CV 1
OR { 358}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 343 and name HA ))
ASSI { 370}
( segid "PAH2" and resid 373 and name HD1%)
(( segid "PAH2" and resid 373 and name HA ))
3.200 1.200 1.200 peak 370 spectrum 1 weight 0.10000E+01 volume 0.23177E-02 ppm1 4.440 ppm2 0.981 CV 1
OR { 370}
( segid "PAH2" and resid 302 and name HG1%)
(( segid "PAH2" and resid 303 and name HA ))
ASSI { 382}
( segid "PAH2" and resid 345 and name HB% )
(( segid "PAH2" and resid 349 and name HA ))
5.300 3.500 0.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.29098E-03 ppm1 4.516 ppm2 1.436 CV 1
OR { 382}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 349 and name HA ))
ASSI { 391}
(( segid "PAH2" and resid 378 and name HG1 ))
(( segid "PAH2" and resid 378 and name HA ))
3.100 1.200 1.200 peak 391 spectrum 1 weight 0.10000E+01 volume 0.36204E-02 ppm1 3.994 ppm2 2.207 CV 1
OR { 391}
(( segid "PAH2" and resid 381 and name HB1 ))
(( segid "PAH2" and resid 378 and name HA ))
ASSI { 402}
(( segid "PAH2" and resid 375 and name HB1 ))
(( segid "PAH2" and resid 372 and name HA ))
3.700 1.700 1.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.11115E-02 ppm1 4.397 ppm2 2.171 CV 1
OR { 402}
(( segid "PAH2" and resid 322 and name HB2 ))
(( segid "PAH2" and resid 323 and name HA ))
ASSI { 414}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 338 and name HA ))
5.100 3.300 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.20808E-03 ppm1 4.139 ppm2 -1.186 CV 1
OR { 414}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 375 and name HA ))
ASSI { 427}
(( segid "PAH2" and resid 333 and name HB1 ))
(( segid "PAH2" and resid 330 and name HA ))
2.400 0.700 0.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.53121E-02 ppm1 4.100 ppm2 3.266 CV 1
OR { 427}
(( segid "PAH2" and resid 359 and name HB1 ))
(( segid "PAH2" and resid 356 and name HA ))
ASSI { 428}
(( segid "PAH2" and resid 333 and name HB2 ))
(( segid "PAH2" and resid 330 and name HA ))
3.100 1.200 1.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.30790E-02 ppm1 4.101 ppm2 2.971 CV 1
OR { 428}
(( segid "PAH2" and resid 359 and name HB2 ))
(( segid "PAH2" and resid 356 and name HA ))
ASSI { 430}
(( segid "PAH2" and resid 338 and name HG2 ))
(( segid "PAH2" and resid 338 and name HA ))
2.400 0.700 0.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.11944E-01 ppm1 4.119 ppm2 2.437 CV 1
OR { 430}
(( segid "PAH2" and resid 375 and name HG1 ))
(( segid "PAH2" and resid 375 and name HA ))
OR { 430}
(( segid "PAH2" and resid 375 and name HG2 ))
(( segid "PAH2" and resid 375 and name HA ))
OR { 430}
(( segid "PAH2" and resid 356 and name HG2 ))
(( segid "PAH2" and resid 356 and name HA ))
ASSI { 433}
(( segid "PAH2" and resid 356 and name HB2 ))
(( segid "PAH2" and resid 356 and name HA ))
1.900 0.500 0.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.28083E-01 ppm1 4.084 ppm2 2.077 CV 1
OR { 433}
(( segid "PAH2" and resid 319 and name HB2 ))
(( segid "PAH2" and resid 319 and name HA ))
OR { 433}
(( segid "PAH2" and resid 330 and name HB1 ))
(( segid "PAH2" and resid 330 and name HA ))
OR { 433}
(( segid "PAH2" and resid 330 and name HB2 ))
(( segid "PAH2" and resid 330 and name HA ))
ASSI { 434}
(( segid "PAH2" and resid 319 and name HG2 ))
(( segid "PAH2" and resid 319 and name HA ))
2.400 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.12604E-01 ppm1 4.077 ppm2 2.452 CV 1
OR { 434}
(( segid "PAH2" and resid 356 and name HG2 ))
(( segid "PAH2" and resid 356 and name HA ))
OR { 434}
(( segid "PAH2" and resid 319 and name HG1 ))
(( segid "PAH2" and resid 319 and name HA ))
ASSI { 435}
(( segid "PAH2" and resid 361 and name HB2 ))
(( segid "PAH2" and resid 361 and name HA ))
2.300 0.700 0.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.90508E-02 ppm1 3.953 ppm2 2.040 CV 1
OR { 435}
(( segid "PAH2" and resid 339 and name HB1 ))
(( segid "PAH2" and resid 336 and name HA ))
ASSI { 437}
(( segid "PAH2" and resid 361 and name HG2 ))
(( segid "PAH2" and resid 361 and name HA ))
2.500 0.800 0.800 peak 437 spectrum 1 weight 0.10000E+01 volume 0.70545E-02 ppm1 3.954 ppm2 2.320 CV 1
OR { 437}
(( segid "PAH2" and resid 336 and name HG2 ))
(( segid "PAH2" and resid 336 and name HA ))
ASSI { 439}
(( segid "PAH2" and resid 364 and name HD1 ))
(( segid "PAH2" and resid 361 and name HA ))
4.100 2.200 1.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.35188E-03 ppm1 3.946 ppm2 3.227 CV 1
OR { 439}
(( segid "PAH2" and resid 364 and name HD2 ))
(( segid "PAH2" and resid 361 and name HA ))
OR { 439}
(( segid "PAH2" and resid 335 and name HB1 ))
(( segid "PAH2" and resid 336 and name HA ))
ASSI { 441}
(( segid "PAH2" and resid 340 and name HB1 ))
(( segid "PAH2" and resid 340 and name HA ))
1.900 0.400 0.400 peak 441 spectrum 1 weight 0.10000E+01 volume 0.35358E-01 ppm1 4.053 ppm2 1.889 CV 1
OR { 441}
(( segid "PAH2" and resid 364 and name HB2 ))
(( segid "PAH2" and resid 364 and name HA ))
OR { 441}
(( segid "PAH2" and resid 364 and name HB1 ))
(( segid "PAH2" and resid 364 and name HA ))
OR { 441}
(( segid "PAH2" and resid 367 and name HB2 ))
(( segid "PAH2" and resid 367 and name HA ))
OR { 441}
(( segid "PAH2" and resid 340 and name HB2 ))
(( segid "PAH2" and resid 340 and name HA ))
ASSI { 442}
(( segid "PAH2" and resid 340 and name HG2 ))
(( segid "PAH2" and resid 340 and name HA ))
2.700 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.63270E-02 ppm1 4.052 ppm2 1.591 CV 1
OR { 442}
(( segid "PAH2" and resid 364 and name HG2 ))
(( segid "PAH2" and resid 364 and name HA ))
ASSI { 445}
( segid "PAH2" and resid 373 and name HD1%)
(( segid "PAH2" and resid 364 and name HA ))
3.900 1.900 1.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.42971E-03 ppm1 4.048 ppm2 0.999 CV 1
OR { 445}
( segid "PAH2" and resid 373 and name HD1%)
(( segid "PAH2" and resid 367 and name HA ))
OR { 445}
( segid "PAH2" and resid 358 and name HG1%)
(( segid "PAH2" and resid 356 and name HA ))
ASSI { 471}
(( segid "PAH2" and resid 356 and name HB2 ))
(( segid "PAH2" and resid 356 and name HA ))
1.700 0.400 0.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.44832E-01 ppm1 4.082 ppm2 2.092 CV 1
OR { 471}
(( segid "PAH2" and resid 319 and name HB2 ))
(( segid "PAH2" and resid 319 and name HA ))
ASSI { 472}
(( segid "PAH2" and resid 356 and name HB2 ))
(( segid "PAH2" and resid 356 and name HA ))
2.100 0.600 0.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.15513E-01 ppm1 4.054 ppm2 2.042 CV 1
OR { 472}
(( segid "PAH2" and resid 319 and name HB2 ))
(( segid "PAH2" and resid 319 and name HA ))
OR { 472}
(( segid "PAH2" and resid 330 and name HB1 ))
(( segid "PAH2" and resid 330 and name HA ))
OR { 472}
(( segid "PAH2" and resid 367 and name HB1 ))
(( segid "PAH2" and resid 367 and name HA ))
ASSI { 479}
(( segid "PAH2" and resid 358 and name HB ))
(( segid "PAH2" and resid 355 and name HA ))
2.700 0.900 0.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.39079E-02 ppm1 3.604 ppm2 2.249 CV 1
OR { 479}
(( segid "PAH2" and resid 355 and name HG1 ))
(( segid "PAH2" and resid 355 and name HA ))
ASSI { 485}
( segid "PAH2" and resid 373 and name HD1%)
(( segid "PAH2" and resid 370 and name HA ))
3.800 1.800 1.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.36880E-03 ppm1 4.002 ppm2 1.008 CV 1
OR { 485}
(( segid "PAH2" and resid 372 and name HB2 ))
(( segid "PAH2" and resid 370 and name HA ))
ASSI { 490}
( segid "PAH2" and resid 314 and name HG2%)
(( segid "PAH2" and resid 325 and name HA ))
3.800 1.800 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.73593E-03 ppm1 4.180 ppm2 0.808 CV 1
OR { 490}
( segid "PAH2" and resid 365 and name HD1%)
(( segid "PAH2" and resid 325 and name HA ))
ASSI { 493}
( segid "PAH2" and resid 366 and name HE% )
(( segid "PAH2" and resid 325 and name HA ))
3.900 1.900 1.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.76808E-03 ppm1 4.168 ppm2 -1.172 CV 1
OR { 493}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 325 and name HA ))
ASSI { 504}
( segid "PAH2" and resid 365 and name HD1%)
(( segid "PAH2" and resid 328 and name HA ))
3.800 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 3.897 ppm2 0.805 CV 1
OR { 504}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 328 and name HA ))
ASSI { 541}
(( segid "PAH2" and resid 324 and name HG11))
(( segid "PAH2" and resid 324 and name HA ))
2.600 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.54982E-02 ppm1 3.717 ppm2 1.531 CV 1
OR { 541}
(( segid "PAH2" and resid 324 and name HB ))
(( segid "PAH2" and resid 324 and name HA ))
OR { 541}
( segid "PAH2" and resid 327 and name HB% )
(( segid "PAH2" and resid 324 and name HA ))
ASSI { 543}
( segid "PAH2" and resid 324 and name HD1%)
(( segid "PAH2" and resid 324 and name HA ))
3.100 1.200 1.200 peak 543 spectrum 1 weight 0.10000E+01 volume 0.29944E-02 ppm1 3.719 ppm2 0.777 CV 1
OR { 543}
( segid "PAH2" and resid 365 and name HD1%)
(( segid "PAH2" and resid 324 and name HA ))
OR { 543}
( segid "PAH2" and resid 365 and name HD2%)
(( segid "PAH2" and resid 324 and name HA ))
ASSI { 566}
(( segid "PAH2" and resid 317 and name HB1 ))
(( segid "PAH2" and resid 314 and name HA ))
3.900 1.900 1.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.45847E-03 ppm1 3.176 ppm2 1.606 CV 1
OR { 566}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 314 and name HA ))
ASSI { 567}
(( segid "PAH2" and resid 317 and name HB2 ))
(( segid "PAH2" and resid 314 and name HA ))
3.100 1.200 1.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.11859E-02 ppm1 3.171 ppm2 1.157 CV 1
OR { 567}
(( segid "PAH2" and resid 313 and name HG2 ))
(( segid "PAH2" and resid 314 and name HA ))
ASSI { 569}
( segid "PAH2" and resid 372 and name HD1%)
(( segid "PAH2" and resid 314 and name HA ))
3.600 1.600 1.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.91352E-03 ppm1 3.181 ppm2 0.527 CV 1
OR { 569}
(( segid "PAH2" and resid 317 and name HG2 ))
(( segid "PAH2" and resid 314 and name HA ))
ASSI { 579}
(( segid "PAH2" and resid 357 and name HB2 ))
(( segid "PAH2" and resid 358 and name HA ))
3.700 1.700 1.700 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17256E-02 ppm1 3.422 ppm2 2.097 CV 1
OR { 579}
(( segid "PAH2" and resid 355 and name HG2 ))
(( segid "PAH2" and resid 358 and name HA ))
ASSI { 580}
(( segid "PAH2" and resid 358 and name HB ))
(( segid "PAH2" and resid 358 and name HA ))
2.900 1.100 1.100 peak 580 spectrum 1 weight 0.10000E+01 volume 0.29267E-02 ppm1 3.423 ppm2 2.220 CV 1
OR { 580}
(( segid "PAH2" and resid 311 and name HB ))
(( segid "PAH2" and resid 311 and name HA ))
ASSI { 583}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 358 and name HA ))
2.600 0.800 0.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.56166E-02 ppm1 3.419 ppm2 0.835 CV 1
OR { 583}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 358 and name HA ))
ASSI { 587}
(( segid "PAH2" and resid 331 and name HA ))
(( segid "PAH2" and resid 334 and name HB ))
3.700 1.700 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.52783E-03 ppm1 4.379 ppm2 3.756 CV 1
OR { 587}
(( segid "PAH2" and resid 334 and name HA ))
(( segid "PAH2" and resid 334 and name HB ))
ASSI { 588}
(( segid "PAH2" and resid 335 and name HB2 ))
(( segid "PAH2" and resid 334 and name HB ))
4.800 2.900 1.200 peak 588 spectrum 1 weight 0.10000E+01 volume 0.32143E-03 ppm1 4.386 ppm2 2.945 CV 1
OR { 588}
(( segid "PAH2" and resid 333 and name HB2 ))
(( segid "PAH2" and resid 334 and name HB ))
ASSI { 603}
(( segid "PAH2" and resid 377 and name HA1 ))
( segid "PAH2" and resid 380 and name HD2%)
4.700 2.700 1.300 peak 603 spectrum 1 weight 0.10000E+01 volume 0.32312E-03 ppm1 0.473 ppm2 4.077 CV 1
OR { 603}
(( segid "PAH2" and resid 356 and name HA ))
( segid "PAH2" and resid 380 and name HD2%)
OR { 603}
(( segid "PAH2" and resid 376 and name HB1 ))
( segid "PAH2" and resid 380 and name HD2%)
ASSI { 605}
(( segid "PAH2" and resid 359 and name HB2 ))
( segid "PAH2" and resid 380 and name HD2%)
2.800 1.000 1.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.30790E-02 ppm1 0.483 ppm2 2.993 CV 1
OR { 605}
(( segid "PAH2" and resid 379 and name HB1 ))
( segid "PAH2" and resid 380 and name HD2%)
ASSI { 606}
(( segid "PAH2" and resid 355 and name HG1 ))
( segid "PAH2" and resid 380 and name HD2%)
3.000 1.100 1.100 peak 606 spectrum 1 weight 0.10000E+01 volume 0.24023E-02 ppm1 0.479 ppm2 2.256 CV 1
OR { 606}
(( segid "PAH2" and resid 358 and name HB ))
( segid "PAH2" and resid 380 and name HD2%)
ASSI { 608}
(( segid "PAH2" and resid 355 and name HB1 ))
( segid "PAH2" and resid 380 and name HD2%)
3.800 1.800 1.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.77311E-03 ppm1 0.478 ppm2 1.993 CV 1
OR { 608}
(( segid "PAH2" and resid 313 and name HB1 ))
(( segid "PAH2" and resid 317 and name HG2 ))
ASSI { 609}
(( segid "PAH2" and resid 355 and name HB2 ))
( segid "PAH2" and resid 380 and name HD2%)
3.400 1.400 1.400 peak 609 spectrum 1 weight 0.10000E+01 volume 0.14228E-02 ppm1 0.475 ppm2 1.800 CV 1
OR { 609}
(( segid "PAH2" and resid 369 and name HB2 ))
(( segid "PAH2" and resid 317 and name HG2 ))
ASSI { 625}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 365 and name HD1%)
3.200 1.300 1.300 peak 625 spectrum 1 weight 0.10000E+01 volume 0.11977E-02 ppm1 0.806 ppm2 -1.176 CV 1
OR { 625}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 365 and name HD1%)
ASSI { 626}
( segid "PAH2" and resid 327 and name HB% )
( segid "PAH2" and resid 365 and name HD1%)
2.300 0.700 0.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.11267E-01 ppm1 0.809 ppm2 1.519 CV 1
OR { 626}
(( segid "PAH2" and resid 365 and name HB1 ))
( segid "PAH2" and resid 365 and name HD1%)
ASSI { 627}
(( segid "PAH2" and resid 365 and name HG ))
( segid "PAH2" and resid 365 and name HD1%)
2.300 0.700 0.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.87292E-02 ppm1 0.810 ppm2 1.611 CV 1
OR { 627}
(( segid "PAH2" and resid 315 and name HB1 ))
(( segid "PAH2" and resid 315 and name HG1 ))
ASSI { 631}
(( segid "PAH2" and resid 328 and name HB1 ))
( segid "PAH2" and resid 365 and name HD1%)
4.600 2.600 1.400 peak 631 spectrum 1 weight 0.10000E+01 volume 0.40264E-03 ppm1 0.806 ppm2 3.408 CV 1
OR { 631}
(( segid "PAH2" and resid 311 and name HA ))
(( segid "PAH2" and resid 315 and name HG1 ))
ASSI { 636}
(( segid "PAH2" and resid 334 and name HB ))
( segid "PAH2" and resid 353 and name HD1%)
3.600 1.600 1.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.11047E-02 ppm1 0.945 ppm2 4.370 CV 1
OR { 636}
(( segid "PAH2" and resid 372 and name HA ))
( segid "PAH2" and resid 373 and name HD1%)
ASSI { 637}
(( segid "PAH2" and resid 357 and name HA ))
( segid "PAH2" and resid 353 and name HD1%)
4.500 2.500 1.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.56843E-03 ppm1 0.943 ppm2 4.253 CV 1
OR { 637}
(( segid "PAH2" and resid 352 and name HA ))
( segid "PAH2" and resid 353 and name HD1%)
ASSI { 638}
(( segid "PAH2" and resid 335 and name HA ))
( segid "PAH2" and resid 353 and name HD1%)
4.000 2.000 2.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.65300E-03 ppm1 0.946 ppm2 4.026 CV 1
OR { 638}
(( segid "PAH2" and resid 370 and name HA ))
( segid "PAH2" and resid 373 and name HD1%)
OR { 638}
(( segid "PAH2" and resid 360 and name HA ))
( segid "PAH2" and resid 373 and name HD1%)
ASSI { 642}
(( segid "PAH2" and resid 361 and name HG1 ))
( segid "PAH2" and resid 353 and name HD1%)
3.600 1.700 1.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.37219E-03 ppm1 0.945 ppm2 2.713 CV 1
OR { 642}
(( segid "PAH2" and resid 371 and name HB2 ))
( segid "PAH2" and resid 373 and name HD1%)
ASSI { 645}
(( segid "PAH2" and resid 373 and name HB1 ))
( segid "PAH2" and resid 373 and name HD1%)
2.800 1.000 1.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.46861E-02 ppm1 0.945 ppm2 2.104 CV 1
OR { 645}
(( segid "PAH2" and resid 357 and name HB2 ))
( segid "PAH2" and resid 353 and name HD1%)
ASSI { 646}
(( segid "PAH2" and resid 353 and name HG ))
( segid "PAH2" and resid 353 and name HD1%)
2.400 0.700 0.700 peak 646 spectrum 1 weight 0.10000E+01 volume 0.76635E-02 ppm1 0.945 ppm2 1.681 CV 1
OR { 646}
(( segid "PAH2" and resid 373 and name HB2 ))
( segid "PAH2" and resid 373 and name HD1%)
OR { 646}
(( segid "PAH2" and resid 353 and name HB1 ))
( segid "PAH2" and resid 353 and name HD1%)
ASSI { 650}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 353 and name HD1%)
4.600 2.600 1.400 peak 650 spectrum 1 weight 0.10000E+01 volume 0.24192E-03 ppm1 0.948 ppm2 -1.154 CV 1
OR { 650}
( segid "PAH2" and resid 359 and name HE% )
( segid "PAH2" and resid 373 and name HD1%)
ASSI { 651}
( segid "PAH2" and resid 359 and name HE% )
( segid "PAH2" and resid 373 and name HD1%)
4.100 2.100 1.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.40771E-03 ppm1 0.989 ppm2 -1.160 CV 1
OR { 651}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 373 and name HD1%)
ASSI { 662}
(( segid "PAH2" and resid 362 and name HA ))
( segid "PAH2" and resid 365 and name HD1%)
3.500 1.500 1.500 peak 662 spectrum 1 weight 0.10000E+01 volume 0.12350E-02 ppm1 0.807 ppm2 2.963 CV 1
OR { 662}
(( segid "PAH2" and resid 328 and name HB2 ))
( segid "PAH2" and resid 365 and name HD1%)
ASSI { 670}
(( segid "PAH2" and resid 313 and name HE1 ))
(( segid "PAH2" and resid 313 and name HG1 ))
3.300 1.400 1.400 peak 670 spectrum 1 weight 0.10000E+01 volume 0.13060E-02 ppm1 1.547 ppm2 2.978 CV 1
OR { 670}
(( segid "PAH2" and resid 326 and name HE1 ))
(( segid "PAH2" and resid 326 and name HG1 ))
OR { 670}
(( segid "PAH2" and resid 326 and name HE2 ))
(( segid "PAH2" and resid 326 and name HG1 ))
OR { 670}
(( segid "PAH2" and resid 343 and name HE1 ))
(( segid "PAH2" and resid 343 and name HG1 ))
ASSI { 674}
(( segid "PAH2" and resid 343 and name HB1 ))
(( segid "PAH2" and resid 343 and name HG1 ))
2.200 0.600 0.600 peak 674 spectrum 1 weight 0.10000E+01 volume 0.12739E-01 ppm1 1.538 ppm2 1.937 CV 1
OR { 674}
(( segid "PAH2" and resid 343 and name HB2 ))
(( segid "PAH2" and resid 343 and name HG1 ))
OR { 674}
(( segid "PAH2" and resid 313 and name HB1 ))
(( segid "PAH2" and resid 313 and name HG1 ))
ASSI { 676}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 326 and name HG2 ))
2.500 0.800 0.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.62761E-02 ppm1 1.380 ppm2 1.860 CV 1
OR { 676}
(( segid "PAH2" and resid 337 and name HB1 ))
(( segid "PAH2" and resid 337 and name HG2 ))
OR { 676}
(( segid "PAH2" and resid 326 and name HB1 ))
(( segid "PAH2" and resid 326 and name HG2 ))
OR { 676}
(( segid "PAH2" and resid 337 and name HB2 ))
(( segid "PAH2" and resid 337 and name HG2 ))
ASSI { 682}
(( segid "PAH2" and resid 326 and name HD2 ))
(( segid "PAH2" and resid 326 and name HG1 ))
1.900 0.500 0.500 peak 682 spectrum 1 weight 0.10000E+01 volume 0.26561E-01 ppm1 1.541 ppm2 1.690 CV 1
OR { 682}
(( segid "PAH2" and resid 343 and name HD2 ))
(( segid "PAH2" and resid 343 and name HG1 ))
OR { 682}
(( segid "PAH2" and resid 343 and name HD1 ))
(( segid "PAH2" and resid 343 and name HG1 ))
OR { 682}
(( segid "PAH2" and resid 313 and name HD2 ))
(( segid "PAH2" and resid 313 and name HG1 ))
OR { 682}
(( segid "PAH2" and resid 326 and name HD1 ))
(( segid "PAH2" and resid 326 and name HG1 ))
ASSI { 688}
(( segid "PAH2" and resid 370 and name HA ))
( segid "PAH2" and resid 373 and name HD1%)
3.400 1.400 1.400 peak 688 spectrum 1 weight 0.10000E+01 volume 0.18609E-02 ppm1 0.989 ppm2 4.019 CV 1
OR { 688}
(( segid "PAH2" and resid 364 and name HA ))
( segid "PAH2" and resid 373 and name HD1%)
OR { 688}
(( segid "PAH2" and resid 360 and name HA ))
( segid "PAH2" and resid 373 and name HD1%)
ASSI { 702}
(( segid "PAH2" and resid 313 and name HB2 ))
(( segid "PAH2" and resid 313 and name HG1 ))
2.200 0.600 0.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.97615E-02 ppm1 1.589 ppm2 1.873 CV 1
OR { 702}
(( segid "PAH2" and resid 326 and name HB1 ))
(( segid "PAH2" and resid 326 and name HG1 ))
OR { 702}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 326 and name HG1 ))
ASSI { 703}
(( segid "PAH2" and resid 326 and name HD2 ))
(( segid "PAH2" and resid 326 and name HG1 ))
1.800 0.400 0.400 peak 703 spectrum 1 weight 0.10000E+01 volume 0.34343E-01 ppm1 1.583 ppm2 1.692 CV 1
OR { 703}
(( segid "PAH2" and resid 313 and name HD1 ))
(( segid "PAH2" and resid 313 and name HG1 ))
OR { 703}
(( segid "PAH2" and resid 313 and name HD2 ))
(( segid "PAH2" and resid 313 and name HG1 ))
OR { 703}
(( segid "PAH2" and resid 326 and name HD1 ))
(( segid "PAH2" and resid 326 and name HG1 ))
ASSI { 709}
(( segid "PAH2" and resid 323 and name HA ))
(( segid "PAH2" and resid 326 and name HG1 ))
4.700 2.800 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.43816E-03 ppm1 1.585 ppm2 4.401 CV 1
OR { 709}
(( segid "PAH2" and resid 310 and name HA ))
(( segid "PAH2" and resid 313 and name HG1 ))
ASSI { 736}
(( segid "PAH2" and resid 329 and name HB2 ))
( segid "PAH2" and resid 332 and name HD2%)
3.600 1.600 1.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.94741E-03 ppm1 0.380 ppm2 1.090 CV 1
OR { 736}
( segid "PAH2" and resid 311 and name HG1%)
( segid "PAH2" and resid 332 and name HD2%)
ASSI { 740}
(( segid "PAH2" and resid 331 and name HA ))
( segid "PAH2" and resid 353 and name HD2%)
4.700 2.800 1.300 peak 740 spectrum 1 weight 0.10000E+01 volume 0.29775E-03 ppm1 0.921 ppm2 3.744 CV 1
OR { 740}
(( segid "PAH2" and resid 334 and name HA ))
( segid "PAH2" and resid 353 and name HD2%)
ASSI { 763}
(( segid "PAH2" and resid 369 and name HG1 ))
( segid "PAH2" and resid 372 and name HD2%)
4.000 2.000 2.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.65809E-03 ppm1 0.231 ppm2 2.450 CV 1
OR { 763}
(( segid "PAH2" and resid 318 and name HB2 ))
( segid "PAH2" and resid 372 and name HD2%)
ASSI { 766}
(( segid "PAH2" and resid 369 and name HB1 ))
( segid "PAH2" and resid 372 and name HD2%)
3.200 1.300 1.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.36034E-02 ppm1 0.230 ppm2 1.875 CV 1
OR { 766}
(( segid "PAH2" and resid 314 and name HB ))
( segid "PAH2" and resid 372 and name HD2%)
ASSI { 768}
(( segid "PAH2" and resid 317 and name HB2 ))
( segid "PAH2" and resid 372 and name HD2%)
3.100 1.200 1.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 0.230 ppm2 1.136 CV 1
OR { 768}
(( segid "PAH2" and resid 313 and name HG2 ))
( segid "PAH2" and resid 372 and name HD2%)
ASSI { 795}
(( segid "PAH2" and resid 344 and name HG1 ))
(( segid "PAH2" and resid 340 and name HG2 ))
3.800 1.800 1.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.55997E-03 ppm1 1.605 ppm2 2.382 CV 1
OR { 795}
(( segid "PAH2" and resid 341 and name HB2 ))
(( segid "PAH2" and resid 340 and name HG2 ))
ASSI { 800}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 340 and name HG1 ))
4.900 3.000 1.100 peak 800 spectrum 1 weight 0.10000E+01 volume 0.41617E-03 ppm1 1.730 ppm2 3.902 CV 1
OR { 800}
(( segid "PAH2" and resid 339 and name HA ))
(( segid "PAH2" and resid 340 and name HG1 ))
ASSI { 805}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 340 and name HG2 ))
5.200 3.400 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.21316E-03 ppm1 1.606 ppm2 3.893 CV 1
OR { 805}
(( segid "PAH2" and resid 295 and name HB2 ))
(( segid "PAH2" and resid 296 and name HG ))
OR { 805}
(( segid "PAH2" and resid 295 and name HB1 ))
(( segid "PAH2" and resid 296 and name HG ))
ASSI { 827}
(( segid "PAH2" and resid 301 and name HB1 ))
(( segid "PAH2" and resid 301 and name HG1 ))
2.300 0.700 0.700 peak 827 spectrum 1 weight 0.10000E+01 volume 0.10861E-01 ppm1 2.070 ppm2 2.411 CV 1
OR { 827}
(( segid "PAH2" and resid 322 and name HB1 ))
(( segid "PAH2" and resid 322 and name HG2 ))
OR { 827}
(( segid "PAH2" and resid 301 and name HB1 ))
(( segid "PAH2" and resid 301 and name HG2 ))
ASSI { 830}
(( segid "PAH2" and resid 301 and name HA ))
(( segid "PAH2" and resid 301 and name HG2 ))
3.600 1.600 1.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.28252E-02 ppm1 2.074 ppm2 4.500 CV 1
OR { 830}
(( segid "PAH2" and resid 322 and name HA ))
(( segid "PAH2" and resid 322 and name HG1 ))
OR { 830}
(( segid "PAH2" and resid 322 and name HA ))
(( segid "PAH2" and resid 322 and name HG2 ))
OR { 830}
(( segid "PAH2" and resid 301 and name HA ))
(( segid "PAH2" and resid 301 and name HG1 ))
ASSI { 895}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 314 and name HG12))
4.700 2.800 1.300 peak 895 spectrum 1 weight 0.10000E+01 volume 0.21485E-03 ppm1 0.396 ppm2 -1.179 CV 1
OR { 895}
( segid "PAH2" and resid 366 and name HE% )
(( segid "PAH2" and resid 314 and name HG12))
ASSI { 904}
(( segid "PAH2" and resid 300 and name HG2 ))
(( segid "PAH2" and resid 300 and name HB2 ))
2.100 0.500 0.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.23515E-01 ppm1 2.001 ppm2 2.274 CV 1
OR { 904}
(( segid "PAH2" and resid 297 and name HG1 ))
(( segid "PAH2" and resid 297 and name HB1 ))
OR { 904}
(( segid "PAH2" and resid 297 and name HG2 ))
(( segid "PAH2" and resid 297 and name HB1 ))
ASSI { 909}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 361 and name HB2 ))
4.100 2.100 1.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.31974E-03 ppm1 2.046 ppm2 0.822 CV 1
OR { 909}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 361 and name HB2 ))
ASSI { 919}
(( segid "PAH2" and resid 343 and name HE1 ))
(( segid "PAH2" and resid 343 and name HD2 ))
2.300 0.600 0.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.10066E-01 ppm1 1.701 ppm2 2.972 CV 1
OR { 919}
(( segid "PAH2" and resid 343 and name HE2 ))
(( segid "PAH2" and resid 343 and name HD1 ))
OR { 919}
(( segid "PAH2" and resid 326 and name HE1 ))
(( segid "PAH2" and resid 326 and name HD2 ))
OR { 919}
(( segid "PAH2" and resid 326 and name HE1 ))
(( segid "PAH2" and resid 326 and name HD1 ))
OR { 919}
(( segid "PAH2" and resid 326 and name HE2 ))
(( segid "PAH2" and resid 326 and name HD2 ))
OR { 919}
(( segid "PAH2" and resid 343 and name HE1 ))
(( segid "PAH2" and resid 343 and name HD1 ))
OR { 919}
(( segid "PAH2" and resid 343 and name HE2 ))
(( segid "PAH2" and resid 343 and name HD2 ))
ASSI { 930}
(( segid "PAH2" and resid 326 and name HG1 ))
(( segid "PAH2" and resid 326 and name HD2 ))
2.000 0.500 0.500 peak 930 spectrum 1 weight 0.10000E+01 volume 0.22331E-01 ppm1 1.691 ppm2 1.563 CV 1
OR { 930}
(( segid "PAH2" and resid 343 and name HG1 ))
(( segid "PAH2" and resid 343 and name HD2 ))
OR { 930}
(( segid "PAH2" and resid 343 and name HG1 ))
(( segid "PAH2" and resid 343 and name HD1 ))
OR { 930}
(( segid "PAH2" and resid 326 and name HG1 ))
(( segid "PAH2" and resid 326 and name HD1 ))
ASSI { 936}
(( segid "PAH2" and resid 331 and name HG11))
(( segid "PAH2" and resid 331 and name HG12))
1.900 0.400 0.400 peak 936 spectrum 1 weight 0.10000E+01 volume 0.10692E-01 ppm1 1.043 ppm2 1.815 CV 1
OR { 936}
(( segid "PAH2" and resid 314 and name HB ))
(( segid "PAH2" and resid 314 and name HG11))
ASSI { 937}
(( segid "PAH2" and resid 361 and name HB2 ))
(( segid "PAH2" and resid 331 and name HG12))
4.100 2.100 1.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.73252E-03 ppm1 1.045 ppm2 2.033 CV 1
OR { 937}
(( segid "PAH2" and resid 330 and name HB2 ))
(( segid "PAH2" and resid 331 and name HG12))
OR { 937}
(( segid "PAH2" and resid 330 and name HB1 ))
(( segid "PAH2" and resid 331 and name HG12))
ASSI { 939}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 331 and name HG12))
2.800 1.000 1.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.35188E-02 ppm1 1.043 ppm2 0.831 CV 1
OR { 939}
( segid "PAH2" and resid 314 and name HG2%)
(( segid "PAH2" and resid 314 and name HG11))
ASSI { 953}
(( segid "PAH2" and resid 330 and name HA ))
(( segid "PAH2" and resid 330 and name HB1 ))
2.400 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.89322E-02 ppm1 2.080 ppm2 4.102 CV 1
OR { 953}
(( segid "PAH2" and resid 330 and name HA ))
(( segid "PAH2" and resid 330 and name HB2 ))
OR { 953}
(( segid "PAH2" and resid 327 and name HA ))
(( segid "PAH2" and resid 330 and name HB2 ))
ASSI { 965}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 357 and name HB2 ))
3.100 1.200 1.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.36880E-02 ppm1 2.099 ppm2 0.943 CV 1
OR { 965}
( segid "PAH2" and resid 302 and name HG2%)
(( segid "PAH2" and resid 303 and name HB2 ))
OR { 965}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 357 and name HB2 ))
ASSI { 981}
(( segid "PAH2" and resid 344 and name HG1 ))
(( segid "PAH2" and resid 344 and name HB2 ))
2.100 0.500 0.500 peak 981 spectrum 1 weight 0.10000E+01 volume 0.15107E-01 ppm1 1.973 ppm2 2.375 CV 1
OR { 981}
(( segid "PAH2" and resid 300 and name HG1 ))
(( segid "PAH2" and resid 300 and name HB2 ))
ASSI { 993}
(( segid "PAH2" and resid 370 and name HG2 ))
(( segid "PAH2" and resid 370 and name HB2 ))
2.000 0.500 0.500 peak 993 spectrum 1 weight 0.10000E+01 volume 0.29775E-01 ppm1 2.130 ppm2 2.420 CV 1
OR { 993}
(( segid "PAH2" and resid 370 and name HG1 ))
(( segid "PAH2" and resid 370 and name HB1 ))
OR { 993}
(( segid "PAH2" and resid 375 and name HG1 ))
(( segid "PAH2" and resid 375 and name HB1 ))
OR { 993}
(( segid "PAH2" and resid 370 and name HG2 ))
(( segid "PAH2" and resid 370 and name HB1 ))
OR { 993}
(( segid "PAH2" and resid 370 and name HG1 ))
(( segid "PAH2" and resid 370 and name HB2 ))
ASSI { 1022}
(( segid "PAH2" and resid 358 and name HA ))
(( segid "PAH2" and resid 358 and name HB ))
2.600 0.900 0.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.43309E-02 ppm1 2.214 ppm2 3.431 CV 1
OR { 1022}
(( segid "PAH2" and resid 311 and name HA ))
(( segid "PAH2" and resid 311 and name HB ))
OR { 1022}
(( segid "PAH2" and resid 308 and name HA ))
(( segid "PAH2" and resid 311 and name HB ))
ASSI { 1065}
(( segid "PAH2" and resid 312 and name HA ))
(( segid "PAH2" and resid 315 and name HB1 ))
3.600 1.600 1.600 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.11453E-02 ppm1 1.638 ppm2 4.359 CV 1
OR { 1065}
(( segid "PAH2" and resid 316 and name HA ))
(( segid "PAH2" and resid 315 and name HB1 ))
ASSI { 1070}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 313 and name HB2 ))
2.200 0.600 0.600 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.12502E-01 ppm1 1.878 ppm2 1.593 CV 1
OR { 1070}
(( segid "PAH2" and resid 326 and name HG1 ))
(( segid "PAH2" and resid 326 and name HB1 ))
OR { 1070}
(( segid "PAH2" and resid 326 and name HG1 ))
(( segid "PAH2" and resid 326 and name HB2 ))
OR { 1070}
(( segid "PAH2" and resid 337 and name HD2 ))
(( segid "PAH2" and resid 337 and name HB1 ))
OR { 1070}
(( segid "PAH2" and resid 337 and name HD2 ))
(( segid "PAH2" and resid 337 and name HB2 ))
ASSI { 1078}
(( segid "PAH2" and resid 323 and name HA ))
(( segid "PAH2" and resid 326 and name HB2 ))
2.300 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.11047E-01 ppm1 1.874 ppm2 4.390 CV 1
OR { 1078}
(( segid "PAH2" and resid 323 and name HA ))
(( segid "PAH2" and resid 326 and name HB1 ))
OR { 1078}
(( segid "PAH2" and resid 310 and name HA ))
(( segid "PAH2" and resid 313 and name HB2 ))
ASSI { 1082}
(( segid "PAH2" and resid 326 and name HA ))
(( segid "PAH2" and resid 326 and name HB2 ))
2.300 0.700 0.700 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.10641E-01 ppm1 1.874 ppm2 3.727 CV 1
OR { 1082}
(( segid "PAH2" and resid 326 and name HA ))
(( segid "PAH2" and resid 326 and name HB1 ))
OR { 1082}
(( segid "PAH2" and resid 334 and name HA ))
(( segid "PAH2" and resid 337 and name HB1 ))
OR { 1082}
(( segid "PAH2" and resid 351 and name HD1 ))
(( segid "PAH2" and resid 351 and name HB2 ))
ASSI { 1085}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 351 and name HB2 ))
5.000 3.100 1.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.25038E-03 ppm1 1.863 ppm2 -1.189 CV 1
OR { 1085}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 313 and name HB2 ))
OR { 1085}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 326 and name HB2 ))
ASSI { 1115}
( segid "PAH2" and resid 324 and name HD1%)
(( segid "PAH2" and resid 321 and name HG1 ))
3.900 1.900 1.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.27914E-03 ppm1 2.472 ppm2 0.785 CV 1
OR { 1115}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 356 and name HG2 ))
OR { 1115}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 356 and name HG1 ))
ASSI { 1121}
(( segid "PAH2" and resid 344 and name HA ))
(( segid "PAH2" and resid 344 and name HG2 ))
2.700 0.900 0.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.58702E-02 ppm1 2.293 ppm2 4.108 CV 1
OR { 1121}
(( segid "PAH2" and resid 330 and name HA ))
(( segid "PAH2" and resid 330 and name HG1 ))
OR { 1121}
(( segid "PAH2" and resid 330 and name HA ))
(( segid "PAH2" and resid 330 and name HG2 ))
ASSI { 1122}
(( segid "PAH2" and resid 344 and name HB1 ))
(( segid "PAH2" and resid 344 and name HG2 ))
1.900 0.500 0.500 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.29098E-01 ppm1 2.292 ppm2 2.082 CV 1
OR { 1122}
(( segid "PAH2" and resid 330 and name HB1 ))
(( segid "PAH2" and resid 330 and name HG1 ))
OR { 1122}
(( segid "PAH2" and resid 330 and name HB1 ))
(( segid "PAH2" and resid 330 and name HG2 ))
OR { 1122}
(( segid "PAH2" and resid 330 and name HB2 ))
(( segid "PAH2" and resid 330 and name HG1 ))
ASSI { 1124}
(( segid "PAH2" and resid 329 and name HG ))
(( segid "PAH2" and resid 330 and name HG1 ))
4.400 2.500 1.600 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.22331E-03 ppm1 2.290 ppm2 1.407 CV 1
OR { 1124}
(( segid "PAH2" and resid 326 and name HG2 ))
(( segid "PAH2" and resid 330 and name HG2 ))
OR { 1124}
(( segid "PAH2" and resid 329 and name HG ))
(( segid "PAH2" and resid 330 and name HG2 ))
OR { 1124}
( segid "PAH2" and resid 345 and name HB% )
(( segid "PAH2" and resid 344 and name HG2 ))
OR { 1124}
(( segid "PAH2" and resid 326 and name HG2 ))
(( segid "PAH2" and resid 330 and name HG1 ))
ASSI { 1125}
(( segid "PAH2" and resid 338 and name HA ))
(( segid "PAH2" and resid 338 and name HG2 ))
2.600 0.900 0.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.62426E-02 ppm1 2.388 ppm2 4.146 CV 1
OR { 1125}
(( segid "PAH2" and resid 375 and name HA ))
(( segid "PAH2" and resid 375 and name HG1 ))
OR { 1125}
(( segid "PAH2" and resid 344 and name HA ))
(( segid "PAH2" and resid 344 and name HG1 ))
OR { 1125}
(( segid "PAH2" and resid 375 and name HA ))
(( segid "PAH2" and resid 375 and name HG2 ))
ASSI { 1126}
(( segid "PAH2" and resid 370 and name HA ))
(( segid "PAH2" and resid 370 and name HG1 ))
2.800 1.000 1.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.52783E-02 ppm1 2.425 ppm2 4.008 CV 1
OR { 1126}
(( segid "PAH2" and resid 370 and name HA ))
(( segid "PAH2" and resid 370 and name HG2 ))
OR { 1126}
(( segid "PAH2" and resid 335 and name HA ))
(( segid "PAH2" and resid 338 and name HG1 ))
ASSI { 1132}
(( segid "PAH2" and resid 338 and name HB2 ))
(( segid "PAH2" and resid 338 and name HG1 ))
2.100 0.500 0.500 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.18440E-01 ppm1 2.429 ppm2 2.135 CV 1
OR { 1132}
(( segid "PAH2" and resid 370 and name HB2 ))
(( segid "PAH2" and resid 370 and name HG2 ))
OR { 1132}
(( segid "PAH2" and resid 338 and name HB1 ))
(( segid "PAH2" and resid 338 and name HG1 ))
OR { 1132}
(( segid "PAH2" and resid 338 and name HB2 ))
(( segid "PAH2" and resid 338 and name HG2 ))
OR { 1132}
(( segid "PAH2" and resid 370 and name HB1 ))
(( segid "PAH2" and resid 370 and name HG1 ))
OR { 1132}
(( segid "PAH2" and resid 375 and name HB1 ))
(( segid "PAH2" and resid 375 and name HG1 ))
OR { 1132}
(( segid "PAH2" and resid 370 and name HB1 ))
(( segid "PAH2" and resid 370 and name HG2 ))
OR { 1132}
(( segid "PAH2" and resid 370 and name HB2 ))
(( segid "PAH2" and resid 370 and name HG1 ))
ASSI { 1148}
(( segid "PAH2" and resid 365 and name HB1 ))
(( segid "PAH2" and resid 362 and name HA ))
3.500 1.500 1.500 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 2.938 ppm2 1.496 CV 1
OR { 1148}
(( segid "PAH2" and resid 365 and name HB1 ))
(( segid "PAH2" and resid 366 and name HB2 ))
ASSI { 1150}
(( segid "PAH2" and resid 365 and name HG ))
(( segid "PAH2" and resid 362 and name HA ))
4.000 2.000 2.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.65809E-03 ppm1 2.938 ppm2 1.616 CV 1
OR { 1150}
(( segid "PAH2" and resid 372 and name HB1 ))
(( segid "PAH2" and resid 366 and name HB2 ))
ASSI { 1151}
( segid "PAH2" and resid 373 and name HD2%)
(( segid "PAH2" and resid 366 and name HB2 ))
3.100 1.200 1.200 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 2.940 ppm2 0.825 CV 1
OR { 1151}
( segid "PAH2" and resid 365 and name HD1%)
(( segid "PAH2" and resid 362 and name HA ))
OR { 1151}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 362 and name HA ))
ASSI { 1152}
( segid "PAH2" and resid 331 and name HD1%)
(( segid "PAH2" and resid 362 and name HA ))
3.400 1.400 1.400 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.12992E-02 ppm1 2.938 ppm2 0.730 CV 1
OR { 1152}
( segid "PAH2" and resid 365 and name HD2%)
(( segid "PAH2" and resid 362 and name HA ))
ASSI { 1156}
(( segid "PAH2" and resid 308 and name HA ))
(( segid "PAH2" and resid 308 and name HB ))
3.000 1.200 1.200 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 1.856 ppm2 3.429 CV 1
OR { 1156}
(( segid "PAH2" and resid 311 and name HA ))
(( segid "PAH2" and resid 314 and name HB ))
ASSI { 1158}
( segid "PAH2" and resid 308 and name HG2%)
(( segid "PAH2" and resid 308 and name HB ))
1.900 0.500 0.500 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.19455E-01 ppm1 1.859 ppm2 0.814 CV 1
OR { 1158}
( segid "PAH2" and resid 314 and name HG2%)
(( segid "PAH2" and resid 314 and name HB ))
OR { 1158}
(( segid "PAH2" and resid 308 and name HG12))
(( segid "PAH2" and resid 308 and name HB ))
ASSI { 1164}
(( segid "PAH2" and resid 298 and name HA ))
(( segid "PAH2" and resid 298 and name HB2 ))
2.600 0.900 0.900 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.60055E-02 ppm1 2.762 ppm2 4.772 CV 1
OR { 1164}
(( segid "PAH2" and resid 348 and name HA ))
(( segid "PAH2" and resid 348 and name HB2 ))
ASSI { 1165}
(( segid "PAH2" and resid 348 and name HA ))
(( segid "PAH2" and resid 348 and name HB1 ))
2.600 0.800 0.800 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.61073E-02 ppm1 2.876 ppm2 4.770 CV 1
OR { 1165}
(( segid "PAH2" and resid 298 and name HA ))
(( segid "PAH2" and resid 298 and name HB1 ))
ASSI { 1166}
(( segid "PAH2" and resid 293 and name HA ))
(( segid "PAH2" and resid 293 and name HB2 ))
2.500 0.800 0.800 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.83574E-02 ppm1 2.748 ppm2 4.642 CV 1
OR { 1166}
(( segid "PAH2" and resid 384 and name HA ))
(( segid "PAH2" and resid 384 and name HB1 ))
ASSI { 1167}
(( segid "PAH2" and resid 384 and name HA ))
(( segid "PAH2" and resid 384 and name HB1 ))
2.300 0.600 0.600 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.12248E-01 ppm1 2.805 ppm2 4.645 CV 1
OR { 1167}
(( segid "PAH2" and resid 293 and name HA ))
(( segid "PAH2" and resid 293 and name HB1 ))
ASSI { 1178}
(( segid "PAH2" and resid 299 and name HA ))
(( segid "PAH2" and resid 299 and name HB1 ))
2.500 0.800 0.800 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.79173E-02 ppm1 2.811 ppm2 4.729 CV 1
OR { 1178}
(( segid "PAH2" and resid 298 and name HA ))
(( segid "PAH2" and resid 298 and name HB2 ))
OR { 1178}
(( segid "PAH2" and resid 298 and name HA ))
(( segid "PAH2" and resid 298 and name HB1 ))
OR { 1178}
(( segid "PAH2" and resid 299 and name HA ))
(( segid "PAH2" and resid 299 and name HB2 ))
ASSI { 1186}
(( segid "PAH2" and resid 335 and name HB2 ))
(( segid "PAH2" and resid 335 and name HB1 ))
1.700 0.300 0.500 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.17594E-01 ppm1 3.270 ppm2 2.989 CV 1
OR { 1186}
(( segid "PAH2" and resid 359 and name HB2 ))
(( segid "PAH2" and resid 359 and name HB1 ))
ASSI { 1205}
(( segid "PAH2" and resid 306 and name HA ))
(( segid "PAH2" and resid 305 and name HB1 ))
3.100 1.200 1.200 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.14668E-02 ppm1 2.900 ppm2 4.703 CV 1
OR { 1205}
(( segid "PAH2" and resid 306 and name HA ))
(( segid "PAH2" and resid 309 and name HB2 ))
ASSI { 1221}
(( segid "PAH2" and resid 372 and name HB2 ))
(( segid "PAH2" and resid 317 and name HD2 ))
3.100 1.200 1.200 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.15530E-02 ppm1 3.053 ppm2 1.001 CV 1
OR { 1221}
(( segid "PAH2" and resid 314 and name HG11))
(( segid "PAH2" and resid 317 and name HD2 ))
ASSI { 1244}
( segid "PAH2" and resid 345 and name HB% )
(( segid "PAH2" and resid 349 and name HB1 ))
3.200 1.300 1.300 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.15125E-02 ppm1 2.963 ppm2 1.438 CV 1
OR { 1244}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 349 and name HB1 ))
ASSI { 1247}
(( segid "PAH2" and resid 366 and name HA ))
( segid "PAH2" and resid 324 and name HD1%)
4.400 2.400 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.34681E-03 ppm1 0.771 ppm2 4.958 CV 1
OR { 1247}
(( segid "PAH2" and resid 321 and name HA ))
( segid "PAH2" and resid 324 and name HD1%)
ASSI { 1250}
(( segid "PAH2" and resid 318 and name HB2 ))
( segid "PAH2" and resid 324 and name HD1%)
3.400 1.500 1.500 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.20301E-02 ppm1 0.773 ppm2 2.471 CV 1
OR { 1250}
(( segid "PAH2" and resid 321 and name HG1 ))
( segid "PAH2" and resid 324 and name HD1%)
ASSI { 1295}
( segid "PAH2" and resid 296 and name HD2%)
(( segid "PAH2" and resid 296 and name HB2 ))
2.500 0.800 0.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.89831E-02 ppm1 1.491 ppm2 0.822 CV 1
OR { 1295}
( segid "PAH2" and resid 365 and name HD1%)
(( segid "PAH2" and resid 365 and name HB1 ))
ASSI { 1312}
(( segid "PAH2" and resid 372 and name HA ))
(( segid "PAH2" and resid 313 and name HE2 ))
3.500 1.500 1.500 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.13483E-02 ppm1 2.840 ppm2 4.390 CV 1
OR { 1312}
(( segid "PAH2" and resid 310 and name HA ))
(( segid "PAH2" and resid 313 and name HE2 ))
ASSI { 1313}
(( segid "PAH2" and resid 372 and name HA ))
(( segid "PAH2" and resid 313 and name HE1 ))
3.900 1.900 1.900 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 2.968 ppm2 4.393 CV 1
OR { 1313}
(( segid "PAH2" and resid 323 and name HA ))
(( segid "PAH2" and resid 326 and name HE1 ))
OR { 1313}
(( segid "PAH2" and resid 323 and name HA ))
(( segid "PAH2" and resid 326 and name HE2 ))
OR { 1313}
(( segid "PAH2" and resid 310 and name HA ))
(( segid "PAH2" and resid 313 and name HE1 ))
ASSI { 1325}
(( segid "PAH2" and resid 313 and name HB2 ))
(( segid "PAH2" and resid 313 and name HE1 ))
3.800 1.800 1.800 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.17594E-02 ppm1 2.964 ppm2 1.874 CV 1
OR { 1325}
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(( segid "PAH2" and resid 326 and name HE1 ))
OR { 1325}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 326 and name HE1 ))
OR { 1325}
(( segid "PAH2" and resid 326 and name HB1 ))
(( segid "PAH2" and resid 326 and name HE2 ))
OR { 1325}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 326 and name HE2 ))
ASSI { 1326}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 313 and name HE1 ))
2.500 0.800 0.800 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.69360E-02 ppm1 2.965 ppm2 1.592 CV 1
OR { 1326}
(( segid "PAH2" and resid 326 and name HG1 ))
(( segid "PAH2" and resid 326 and name HE1 ))
OR { 1326}
(( segid "PAH2" and resid 326 and name HG1 ))
(( segid "PAH2" and resid 326 and name HE2 ))
ASSI { 1327}
(( segid "PAH2" and resid 326 and name HG2 ))
(( segid "PAH2" and resid 326 and name HE2 ))
3.000 1.100 1.100 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.26391E-02 ppm1 2.967 ppm2 1.419 CV 1
OR { 1327}
(( segid "PAH2" and resid 326 and name HG2 ))
(( segid "PAH2" and resid 326 and name HE1 ))
OR { 1327}
(( segid "PAH2" and resid 343 and name HG2 ))
(( segid "PAH2" and resid 343 and name HE2 ))
OR { 1327}
(( segid "PAH2" and resid 343 and name HG2 ))
(( segid "PAH2" and resid 343 and name HE1 ))
ASSI { 1328}
(( segid "PAH2" and resid 343 and name HD2 ))
(( segid "PAH2" and resid 343 and name HE1 ))
2.200 0.600 0.600 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.13010E-01 ppm1 2.970 ppm2 1.697 CV 1
OR { 1328}
(( segid "PAH2" and resid 326 and name HD1 ))
(( segid "PAH2" and resid 326 and name HE2 ))
OR { 1328}
(( segid "PAH2" and resid 343 and name HD1 ))
(( segid "PAH2" and resid 343 and name HE2 ))
OR { 1328}
(( segid "PAH2" and resid 326 and name HD2 ))
(( segid "PAH2" and resid 326 and name HE1 ))
OR { 1328}
(( segid "PAH2" and resid 326 and name HD1 ))
(( segid "PAH2" and resid 326 and name HE1 ))
OR { 1328}
(( segid "PAH2" and resid 326 and name HD2 ))
(( segid "PAH2" and resid 326 and name HE2 ))
OR { 1328}
(( segid "PAH2" and resid 343 and name HD1 ))
(( segid "PAH2" and resid 343 and name HE1 ))
OR { 1328}
(( segid "PAH2" and resid 343 and name HD2 ))
(( segid "PAH2" and resid 343 and name HE2 ))
ASSI { 1332}
(( segid "PAH2" and resid 364 and name HG2 ))
(( segid "PAH2" and resid 364 and name HD1 ))
2.300 0.700 0.700 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.86957E-02 ppm1 3.174 ppm2 1.603 CV 1
OR { 1332}
(( segid "PAH2" and resid 340 and name HG2 ))
(( segid "PAH2" and resid 340 and name HD1 ))
OR { 1332}
(( segid "PAH2" and resid 364 and name HG2 ))
(( segid "PAH2" and resid 364 and name HD2 ))
OR { 1332}
(( segid "PAH2" and resid 340 and name HG2 ))
(( segid "PAH2" and resid 340 and name HD2 ))
ASSI { 1335}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 340 and name HD2 ))
3.500 1.600 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.27068E-02 ppm1 3.172 ppm2 4.056 CV 1
OR { 1335}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 340 and name HD1 ))
OR { 1335}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 364 and name HD2 ))
OR { 1335}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 364 and name HD1 ))
ASSI { 1336}
(( segid "PAH2" and resid 361 and name HA ))
(( segid "PAH2" and resid 364 and name HD1 ))
3.200 1.300 1.300 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 3.174 ppm2 3.911 CV 1
OR { 1336}
(( segid "PAH2" and resid 361 and name HA ))
(( segid "PAH2" and resid 364 and name HD2 ))
OR { 1336}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 340 and name HD2 ))
ASSI { 1353}
(( segid "PAH2" and resid 314 and name HG11))
( segid "PAH2" and resid 314 and name HD1%)
2.300 0.600 0.600 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.72916E-02 ppm1 -0.014 ppm2 1.060 CV 1
OR { 1353}
( segid "PAH2" and resid 311 and name HG2%)
( segid "PAH2" and resid 314 and name HD1%)
ASSI { 1362}
(( segid "PAH2" and resid 358 and name HA ))
( segid "PAH2" and resid 331 and name HD1%)
4.800 2.900 1.200 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.32820E-03 ppm1 0.719 ppm2 3.417 CV 1
OR { 1362}
(( segid "PAH2" and resid 328 and name HB1 ))
( segid "PAH2" and resid 331 and name HD1%)
ASSI { 1368}
( segid "PAH2" and resid 327 and name HB% )
( segid "PAH2" and resid 331 and name HD1%)
3.300 1.300 1.300 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 0.720 ppm2 1.518 CV 1
OR { 1368}
(( segid "PAH2" and resid 365 and name HB1 ))
( segid "PAH2" and resid 331 and name HD1%)
ASSI { 1379}
( segid "PAH2" and resid 324 and name HD1%)
( segid "PAH2" and resid 324 and name HG2%)
2.300 0.700 0.700 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.91184E-02 ppm1 0.024 ppm2 0.776 CV 1
OR { 1379}
( segid "PAH2" and resid 365 and name HD2%)
( segid "PAH2" and resid 324 and name HG2%)
ASSI { 1393}
(( segid "PAH2" and resid 309 and name HB2 ))
( segid "PAH2" and resid 308 and name HG2%)
4.500 2.500 1.500 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.68857E-03 ppm1 0.816 ppm2 2.894 CV 1
OR { 1393}
(( segid "PAH2" and resid 305 and name HB1 ))
( segid "PAH2" and resid 308 and name HG2%)
ASSI { 1407}
(( segid "PAH2" and resid 332 and name HA ))
( segid "PAH2" and resid 331 and name HG2%)
3.600 1.700 1.700 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.15158E-02 ppm1 0.832 ppm2 3.893 CV 1
OR { 1407}
(( segid "PAH2" and resid 328 and name HA ))
( segid "PAH2" and resid 331 and name HG2%)
ASSI { 1409}
(( segid "PAH2" and resid 358 and name HA ))
( segid "PAH2" and resid 331 and name HG2%)
3.200 1.200 1.200 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 0.832 ppm2 3.418 CV 1
OR { 1409}
(( segid "PAH2" and resid 311 and name HA ))
( segid "PAH2" and resid 314 and name HG2%)
ASSI { 1414}
(( segid "PAH2" and resid 314 and name HB ))
( segid "PAH2" and resid 314 and name HG2%)
2.200 0.600 0.600 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.10337E-01 ppm1 0.832 ppm2 1.831 CV 1
OR { 1414}
(( segid "PAH2" and resid 331 and name HG11))
( segid "PAH2" and resid 331 and name HG2%)
ASSI { 1423}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 314 and name HG2%)
2.800 1.000 1.000 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.27068E-02 ppm1 0.825 ppm2 -1.180 CV 1
OR { 1423}
( segid "PAH2" and resid 310 and name HE% )
( segid "PAH2" and resid 314 and name HG2%)
ASSI { 1431}
(( segid "PAH2" and resid 304 and name HA ))
( segid "PAH2" and resid 307 and name HB% )
2.900 1.100 1.100 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.23177E-02 ppm1 1.395 ppm2 4.351 CV 1
OR { 1431}
(( segid "PAH2" and resid 351 and name HA ))
( segid "PAH2" and resid 342 and name HB% )
ASSI { 1434}
(( segid "PAH2" and resid 351 and name HG2 ))
( segid "PAH2" and resid 342 and name HB% )
3.200 1.300 1.300 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.45677E-02 ppm1 1.440 ppm2 1.945 CV 1
OR { 1434}
(( segid "PAH2" and resid 343 and name HB2 ))
( segid "PAH2" and resid 342 and name HB% )
OR { 1434}
(( segid "PAH2" and resid 343 and name HB1 ))
( segid "PAH2" and resid 342 and name HB% )
OR { 1434}
(( segid "PAH2" and resid 339 and name HB2 ))
( segid "PAH2" and resid 342 and name HB% )
ASSI { 1437}
(( segid "PAH2" and resid 341 and name HB2 ))
( segid "PAH2" and resid 342 and name HB% )
4.100 2.100 1.900 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.12418E-02 ppm1 1.438 ppm2 2.408 CV 1
OR { 1437}
(( segid "PAH2" and resid 338 and name HG1 ))
( segid "PAH2" and resid 342 and name HB% )
ASSI { 1442}
(( segid "PAH2" and resid 350 and name HA ))
( segid "PAH2" and resid 342 and name HB% )
4.200 2.200 1.800 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.61073E-03 ppm1 1.444 ppm2 4.517 CV 1
OR { 1442}
(( segid "PAH2" and resid 349 and name HA ))
( segid "PAH2" and resid 342 and name HB% )
ASSI { 1453}
(( segid "PAH2" and resid 361 and name HG2 ))
( segid "PAH2" and resid 360 and name HB% )
3.200 1.300 1.300 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.31805E-02 ppm1 1.555 ppm2 2.340 CV 1
OR { 1453}
(( segid "PAH2" and resid 357 and name HB1 ))
( segid "PAH2" and resid 360 and name HB% )
OR { 1453}
(( segid "PAH2" and resid 357 and name HG1 ))
( segid "PAH2" and resid 360 and name HB% )
ASSI { 1454}
(( segid "PAH2" and resid 330 and name HB2 ))
( segid "PAH2" and resid 327 and name HB% )
3.200 1.300 1.300 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.46354E-02 ppm1 1.543 ppm2 2.085 CV 1
OR { 1454}
(( segid "PAH2" and resid 357 and name HB2 ))
( segid "PAH2" and resid 360 and name HB% )
OR { 1454}
(( segid "PAH2" and resid 330 and name HB1 ))
( segid "PAH2" and resid 327 and name HB% )
ASSI { 1455}
( segid "PAH2" and resid 363 and name HB% )
( segid "PAH2" and resid 360 and name HB% )
2.900 1.100 1.100 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 1.556 ppm2 1.217 CV 1
OR { 1455}
(( segid "PAH2" and resid 324 and name HG12))
( segid "PAH2" and resid 327 and name HB% )
ASSI { 1458}
(( segid "PAH2" and resid 308 and name HA ))
( segid "PAH2" and resid 307 and name HB% )
4.500 2.600 1.500 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.38065E-03 ppm1 1.393 ppm2 3.449 CV 1
OR { 1458}
(( segid "PAH2" and resid 306 and name HB2 ))
( segid "PAH2" and resid 307 and name HB% )
ASSI { 1466}
(( segid "PAH2" and resid 342 and name HA ))
( segid "PAH2" and resid 345 and name HB% )
3.000 1.200 1.200 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.32651E-02 ppm1 1.439 ppm2 3.912 CV 1
OR { 1466}
(( segid "PAH2" and resid 347 and name HA2 ))
( segid "PAH2" and resid 345 and name HB% )
OR { 1466}
(( segid "PAH2" and resid 346 and name HA2 ))
( segid "PAH2" and resid 345 and name HB% )
ASSI { 1530}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 357 and name HG1 ))
2.700 0.900 0.900 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.49061E-02 ppm1 2.379 ppm2 0.940 CV 1
OR { 1530}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 357 and name HG2 ))
OR { 1530}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 357 and name HG2 ))
OR { 1530}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 357 and name HG1 ))
OR { 1530}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 338 and name HG1 ))
ASSI { 1580}
(( segid "PAH2" and resid 322 and name HA ))
(( segid "PAH2" and resid 322 and name HB1 ))
2.500 0.800 0.800 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.41955E-02 ppm1 2.411 ppm2 4.492 CV 1
OR { 1580}
(( segid "PAH2" and resid 301 and name HA ))
(( segid "PAH2" and resid 301 and name HB1 ))
ASSI { 1582}
(( segid "PAH2" and resid 301 and name HG1 ))
(( segid "PAH2" and resid 301 and name HD2 ))
2.500 0.800 0.800 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.54813E-02 ppm1 3.639 ppm2 2.073 CV 1
OR { 1582}
(( segid "PAH2" and resid 351 and name HG1 ))
(( segid "PAH2" and resid 351 and name HD2 ))
OR { 1582}
(( segid "PAH2" and resid 301 and name HG2 ))
(( segid "PAH2" and resid 301 and name HD2 ))
ASSI { 1592}
(( segid "PAH2" and resid 310 and name HA ))
(( segid "PAH2" and resid 310 and name HB2 ))
2.200 0.600 0.600 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.13246E-01 ppm1 2.902 ppm2 4.428 CV 1
OR { 1592}
(( segid "PAH2" and resid 371 and name HA ))
(( segid "PAH2" and resid 371 and name HB1 ))
ASSI { 1593}
(( segid "PAH2" and resid 312 and name HB2 ))
(( segid "PAH2" and resid 312 and name HA ))
2.300 0.600 0.600 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.89154E-02 ppm1 4.346 ppm2 2.688 CV 1
OR { 1593}
(( segid "PAH2" and resid 316 and name HB2 ))
(( segid "PAH2" and resid 316 and name HA ))
ASSI { 1619}
(( segid "PAH2" and resid 335 and name HA ))
(( segid "PAH2" and resid 335 and name HB1 ))
3.100 1.200 1.200 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.18779E-02 ppm1 3.260 ppm2 4.045 CV 1
OR { 1619}
(( segid "PAH2" and resid 356 and name HA ))
(( segid "PAH2" and resid 359 and name HB1 ))
ASSI { 1620}
(( segid "PAH2" and resid 335 and name HA ))
(( segid "PAH2" and resid 335 and name HB2 ))
2.900 1.000 1.000 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.20978E-02 ppm1 3.006 ppm2 4.052 CV 1
OR { 1620}
(( segid "PAH2" and resid 356 and name HA ))
(( segid "PAH2" and resid 359 and name HB2 ))
ASSI { 1626}
( segid "PAH2" and resid 358 and name HG1%)
(( segid "PAH2" and resid 359 and name HB2 ))
3.500 1.500 1.500 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 2.993 ppm2 0.939 CV 1
OR { 1626}
( segid "PAH2" and resid 358 and name HG1%)
(( segid "PAH2" and resid 335 and name HB2 ))
OR { 1626}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 335 and name HB2 ))
ASSI { 1627}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 335 and name HB2 ))
3.200 1.300 1.300 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.11436E-02 ppm1 2.970 ppm2 0.825 CV 1
OR { 1627}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 335 and name HB2 ))
OR { 1627}
( segid "PAH2" and resid 365 and name HD1%)
(( segid "PAH2" and resid 328 and name HB2 ))
OR { 1627}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 359 and name HB2 ))
ASSI { 1628}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 359 and name HB2 ))
3.800 1.800 1.800 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.41279E-03 ppm1 2.985 ppm2 0.495 CV 1
OR { 1628}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 359 and name HB2 ))
OR { 1628}
( segid "PAH2" and resid 362 and name HG1%)
(( segid "PAH2" and resid 359 and name HB2 ))
ASSI { 1629}
( segid "PAH2" and resid 358 and name HG1%)
(( segid "PAH2" and resid 335 and name HB1 ))
5.000 3.100 1.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.37895E-03 ppm1 3.284 ppm2 0.934 CV 1
OR { 1629}
( segid "PAH2" and resid 358 and name HG1%)
(( segid "PAH2" and resid 359 and name HB1 ))
OR { 1629}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 335 and name HB1 ))
ASSI { 1630}
( segid "PAH2" and resid 332 and name HD1%)
(( segid "PAH2" and resid 335 and name HB1 ))
3.900 1.900 1.900 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.15851E-03 ppm1 3.284 ppm2 0.503 CV 1
OR { 1630}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 359 and name HB1 ))
OR { 1630}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 359 and name HB1 ))
ASSI { 1631}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 332 and name HA ))
5.700 4.100 0.300 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.10218E-03 ppm1 3.909 ppm2 -1.140 CV 1
OR { 1631}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 339 and name HA ))
OR { 1631}
( segid "PAH2" and resid 349 and name HD% )
(( segid "PAH2" and resid 339 and name HA ))
ASSI { 1637}
(( segid "PAH2" and resid 337 and name HG2 ))
(( segid "PAH2" and resid 337 and name HE1 ))
3.800 1.800 1.800 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.74778E-03 ppm1 2.868 ppm2 1.371 CV 1
OR { 1637}
(( segid "PAH2" and resid 315 and name HB2 ))
(( segid "PAH2" and resid 315 and name HE2 ))
OR { 1637}
(( segid "PAH2" and resid 315 and name HB2 ))
(( segid "PAH2" and resid 315 and name HE1 ))
ASSI { 1638}
(( segid "PAH2" and resid 337 and name HD1 ))
(( segid "PAH2" and resid 337 and name HE2 ))
2.800 1.000 1.000 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.30283E-02 ppm1 2.785 ppm2 1.563 CV 1
OR { 1638}
(( segid "PAH2" and resid 337 and name HD2 ))
(( segid "PAH2" and resid 337 and name HE2 ))
OR { 1638}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 313 and name HE2 ))
ASSI { 1641}
(( segid "PAH2" and resid 340 and name HG1 ))
(( segid "PAH2" and resid 340 and name HA ))
2.300 0.700 0.700 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.11301E-01 ppm1 4.054 ppm2 1.740 CV 1
OR { 1641}
(( segid "PAH2" and resid 367 and name HD2 ))
(( segid "PAH2" and resid 367 and name HA ))
ASSI { 1653}
(( segid "PAH2" and resid 343 and name HE2 ))
(( segid "PAH2" and resid 343 and name HB1 ))
3.700 1.700 1.700 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.16224E-02 ppm1 1.944 ppm2 2.962 CV 1
OR { 1653}
(( segid "PAH2" and resid 343 and name HE2 ))
(( segid "PAH2" and resid 343 and name HB2 ))
OR { 1653}
(( segid "PAH2" and resid 343 and name HE1 ))
(( segid "PAH2" and resid 343 and name HB1 ))
OR { 1653}
(( segid "PAH2" and resid 343 and name HE1 ))
(( segid "PAH2" and resid 343 and name HB2 ))
OR { 1653}
(( segid "PAH2" and resid 313 and name HE1 ))
(( segid "PAH2" and resid 313 and name HB1 ))
ASSI { 1654}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 313 and name HB2 ))
2.100 0.600 0.600 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.13449E-01 ppm1 1.927 ppm2 1.551 CV 1
OR { 1654}
(( segid "PAH2" and resid 343 and name HG1 ))
(( segid "PAH2" and resid 343 and name HB1 ))
OR { 1654}
(( segid "PAH2" and resid 343 and name HG1 ))
(( segid "PAH2" and resid 343 and name HB2 ))
OR { 1654}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 313 and name HB1 ))
ASSI { 1655}
(( segid "PAH2" and resid 313 and name HD1 ))
(( segid "PAH2" and resid 313 and name HB2 ))
2.000 0.500 0.500 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.23346E-01 ppm1 1.925 ppm2 1.696 CV 1
OR { 1655}
(( segid "PAH2" and resid 313 and name HD2 ))
(( segid "PAH2" and resid 313 and name HB1 ))
OR { 1655}
(( segid "PAH2" and resid 343 and name HD2 ))
(( segid "PAH2" and resid 343 and name HB1 ))
OR { 1655}
(( segid "PAH2" and resid 313 and name HD2 ))
(( segid "PAH2" and resid 313 and name HB2 ))
OR { 1655}
(( segid "PAH2" and resid 343 and name HD1 ))
(( segid "PAH2" and resid 343 and name HB2 ))
OR { 1655}
(( segid "PAH2" and resid 313 and name HD1 ))
(( segid "PAH2" and resid 313 and name HB1 ))
OR { 1655}
(( segid "PAH2" and resid 343 and name HD1 ))
(( segid "PAH2" and resid 343 and name HB1 ))
ASSI { 1668}
(( segid "PAH2" and resid 367 and name HA ))
(( segid "PAH2" and resid 367 and name HB2 ))
2.200 0.600 0.600 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.14041E-01 ppm1 1.907 ppm2 4.060 CV 1
OR { 1668}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 343 and name HB1 ))
ASSI { 1672}
(( segid "PAH2" and resid 369 and name HG1 ))
(( segid "PAH2" and resid 369 and name HA ))
3.600 1.600 1.600 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.13196E-02 ppm1 4.825 ppm2 2.432 CV 1
OR { 1672}
(( segid "PAH2" and resid 370 and name HG2 ))
(( segid "PAH2" and resid 369 and name HA ))
ASSI { 1677}
(( segid "PAH2" and resid 369 and name HG2 ))
(( segid "PAH2" and resid 369 and name HB1 ))
2.800 1.000 1.000 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.37388E-02 ppm1 1.896 ppm2 2.288 CV 1
OR { 1677}
(( segid "PAH2" and resid 351 and name HB1 ))
(( segid "PAH2" and resid 351 and name HG2 ))
ASSI { 1707}
(( segid "PAH2" and resid 375 and name HB2 ))
(( segid "PAH2" and resid 372 and name HA ))
3.400 1.400 1.400 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.73252E-03 ppm1 4.388 ppm2 2.048 CV 1
OR { 1707}
(( segid "PAH2" and resid 322 and name HG2 ))
(( segid "PAH2" and resid 323 and name HA ))
ASSI { 1718}
(( segid "PAH2" and resid 343 and name HG2 ))
(( segid "PAH2" and resid 343 and name HB2 ))
2.100 0.600 0.600 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.14921E-01 ppm1 1.895 ppm2 1.479 CV 1
OR { 1718}
(( segid "PAH2" and resid 367 and name HG1 ))
(( segid "PAH2" and resid 367 and name HB2 ))
OR { 1718}
(( segid "PAH2" and resid 367 and name HG2 ))
(( segid "PAH2" and resid 367 and name HB2 ))
OR { 1718}
(( segid "PAH2" and resid 343 and name HG2 ))
(( segid "PAH2" and resid 343 and name HB1 ))
ASSI { 1725}
(( segid "PAH2" and resid 347 and name HA2 ))
(( segid "PAH2" and resid 347 and name HA1 ))
1.500 0.300 0.700 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.52614E-01 ppm1 4.063 ppm2 3.883 CV 1
OR { 1725}
(( segid "PAH2" and resid 346 and name HA2 ))
(( segid "PAH2" and resid 346 and name HA1 ))
ASSI { 17}
(( segid "PF1 " and resid 206 and name HB1 ))
(( segid "PF1 " and resid 205 and name HA ))
3.300 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 4.306 ppm2 1.667 CV 1
OR { 17}
(( segid "PF1 " and resid 227 and name HB1 ))
(( segid "PF1 " and resid 226 and name HA ))
ASSI { 31}
(( segid "PF1 " and resid 231 and name HG ))
( segid "PF1 " and resid 231 and name HD2%)
2.000 0.500 0.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.16402E-01 ppm1 0.860 ppm2 1.605 CV 1
OR { 31}
(( segid "PF1 " and resid 212 and name HB1 ))
( segid "PF1 " and resid 212 and name HD2%)
ASSI { 33}
(( segid "PF1 " and resid 230 and name HB1 ))
( segid "PF1 " and resid 231 and name HD2%)
3.500 1.500 1.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.73841E-03 ppm1 0.865 ppm2 2.069 CV 1
OR { 33}
(( segid "PF1 " and resid 205 and name HB1 ))
( segid "PF1 " and resid 206 and name HD2%)
OR { 33}
(( segid "PF1 " and resid 204 and name HG2 ))
( segid "PF1 " and resid 206 and name HD2%)
ASSI { 42}
(( segid "PF1 " and resid 205 and name HG2 ))
(( segid "PF1 " and resid 205 and name HA ))
2.800 1.000 1.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.22800E-02 ppm1 4.290 ppm2 2.354 CV 1
OR { 42}
(( segid "PF1 " and resid 205 and name HG1 ))
(( segid "PF1 " and resid 205 and name HA ))
OR { 42}
(( segid "PF1 " and resid 226 and name HG1 ))
(( segid "PF1 " and resid 226 and name HA ))
ASSI { 43}
(( segid "PF1 " and resid 230 and name HB1 ))
(( segid "PF1 " and resid 230 and name HB2 ))
1.300 0.200 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.12778E+00 ppm1 1.971 ppm2 2.057 CV 1
OR { 43}
(( segid "PF1 " and resid 226 and name HB1 ))
(( segid "PF1 " and resid 226 and name HB2 ))
ASSI { 52}
(( segid "PF1 " and resid 238 and name HD1 ))
( segid "PF1 " and resid 237 and name HD2%)
3.200 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.50363E-03 ppm1 0.920 ppm2 3.832 CV 1
OR { 52}
(( segid "PF1 " and resid 228 and name HD1 ))
( segid "PF1 " and resid 227 and name HD2%)
ASSI { 55}
(( segid "PF1 " and resid 237 and name HA ))
(( segid "PF1 " and resid 238 and name HG1 ))
4.300 2.300 1.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.40325E-03 ppm1 2.033 ppm2 4.590 CV 1
OR { 55}
(( segid "PF1 " and resid 237 and name HA ))
(( segid "PF1 " and resid 238 and name HG2 ))
OR { 55}
(( segid "PF1 " and resid 227 and name HA ))
(( segid "PF1 " and resid 228 and name HG2 ))
OR { 55}
(( segid "PF1 " and resid 227 and name HA ))
(( segid "PF1 " and resid 228 and name HG1 ))
ASSI { 109}
(( segid "PF1 " and resid 205 and name HB2 ))
(( segid "PF1 " and resid 205 and name HB1 ))
1.400 0.300 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.61593E-01 ppm1 2.083 ppm2 1.957 CV 1
OR { 109}
(( segid "PF1 " and resid 203 and name HB2 ))
(( segid "PF1 " and resid 203 and name HB1 ))
ASSI { 110}
(( segid "PF1 " and resid 203 and name HG1 ))
(( segid "PF1 " and resid 203 and name HB1 ))
2.100 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.10838E-01 ppm1 2.083 ppm2 2.397 CV 1
OR { 110}
(( segid "PF1 " and resid 205 and name HG2 ))
(( segid "PF1 " and resid 205 and name HB1 ))
OR { 110}
(( segid "PF1 " and resid 203 and name HG2 ))
(( segid "PF1 " and resid 203 and name HB1 ))
OR { 110}
(( segid "PF1 " and resid 205 and name HG1 ))
(( segid "PF1 " and resid 205 and name HB1 ))
ASSI { 113}
(( segid "PF1 " and resid 205 and name HG1 ))
(( segid "PF1 " and resid 205 and name HB2 ))
2.300 0.700 0.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.66017E-02 ppm1 1.950 ppm2 2.397 CV 1
OR { 113}
(( segid "PF1 " and resid 203 and name HG2 ))
(( segid "PF1 " and resid 203 and name HB2 ))
OR { 113}
(( segid "PF1 " and resid 203 and name HG1 ))
(( segid "PF1 " and resid 203 and name HB2 ))
OR { 113}
(( segid "PF1 " and resid 205 and name HG2 ))
(( segid "PF1 " and resid 205 and name HB2 ))
ASSI { 116}
(( segid "PF1 " and resid 226 and name HB2 ))
(( segid "PF1 " and resid 226 and name HG1 ))
2.200 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.88987E-02 ppm1 2.406 ppm2 1.954 CV 1
OR { 116}
(( segid "PF1 " and resid 205 and name HB2 ))
(( segid "PF1 " and resid 205 and name HG1 ))
OR { 116}
(( segid "PF1 " and resid 203 and name HB2 ))
(( segid "PF1 " and resid 203 and name HG1 ))
OR { 116}
(( segid "PF1 " and resid 205 and name HB2 ))
(( segid "PF1 " and resid 205 and name HG2 ))
ASSI { 117}
(( segid "PF1 " and resid 204 and name HB1 ))
(( segid "PF1 " and resid 204 and name HA ))
2.100 0.500 0.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.94093E-02 ppm1 4.379 ppm2 2.292 CV 1
OR { 117}
(( segid "PF1 " and resid 238 and name HB1 ))
(( segid "PF1 " and resid 238 and name HA ))
OR { 117}
(( segid "PF1 " and resid 228 and name HB1 ))
(( segid "PF1 " and resid 228 and name HA ))
ASSI { 118}
(( segid "PF1 " and resid 228 and name HB2 ))
(( segid "PF1 " and resid 228 and name HA ))
2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.36241E-02 ppm1 4.384 ppm2 1.911 CV 1
OR { 118}
(( segid "PF1 " and resid 238 and name HB2 ))
(( segid "PF1 " and resid 238 and name HA ))
OR { 118}
(( segid "PF1 " and resid 204 and name HB2 ))
(( segid "PF1 " and resid 204 and name HA ))
ASSI { 120}
(( segid "PF1 " and resid 228 and name HG1 ))
(( segid "PF1 " and resid 228 and name HA ))
3.100 1.200 1.200 peak 120 spectrum 1 weight 0.10000E+01 volume 0.20588E-02 ppm1 4.385 ppm2 2.017 CV 1
OR { 120}
(( segid "PF1 " and resid 204 and name HG1 ))
(( segid "PF1 " and resid 204 and name HA ))
OR { 120}
(( segid "PF1 " and resid 238 and name HG1 ))
(( segid "PF1 " and resid 238 and name HA ))
OR { 120}
(( segid "PF1 " and resid 228 and name HG2 ))
(( segid "PF1 " and resid 228 and name HA ))
OR { 120}
(( segid "PF1 " and resid 204 and name HG2 ))
(( segid "PF1 " and resid 204 and name HA ))
ASSI { 123}
(( segid "PF1 " and resid 228 and name HD1 ))
(( segid "PF1 " and resid 228 and name HB1 ))
3.200 1.300 1.300 peak 123 spectrum 1 weight 0.10000E+01 volume 0.12489E-02 ppm1 2.298 ppm2 3.846 CV 1
OR { 123}
(( segid "PF1 " and resid 204 and name HD1 ))
(( segid "PF1 " and resid 204 and name HB1 ))
OR { 123}
(( segid "PF1 " and resid 238 and name HD1 ))
(( segid "PF1 " and resid 238 and name HB1 ))
ASSI { 124}
(( segid "PF1 " and resid 204 and name HD2 ))
(( segid "PF1 " and resid 204 and name HB1 ))
3.600 1.600 1.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.75206E-03 ppm1 2.288 ppm2 3.694 CV 1
OR { 124}
(( segid "PF1 " and resid 222 and name HD1 ))
(( segid "PF1 " and resid 222 and name HB1 ))
ASSI { 126}
(( segid "PF1 " and resid 228 and name HA ))
(( segid "PF1 " and resid 228 and name HB2 ))
2.900 1.000 1.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.28074E-02 ppm1 1.887 ppm2 4.367 CV 1
OR { 126}
(( segid "PF1 " and resid 204 and name HA ))
(( segid "PF1 " and resid 204 and name HB2 ))
ASSI { 127}
(( segid "PF1 " and resid 228 and name HB1 ))
(( segid "PF1 " and resid 228 and name HB2 ))
1.700 0.300 0.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.25692E-01 ppm1 1.893 ppm2 2.291 CV 1
OR { 127}
(( segid "PF1 " and resid 204 and name HB1 ))
(( segid "PF1 " and resid 204 and name HB2 ))
OR { 127}
(( segid "PF1 " and resid 238 and name HB1 ))
(( segid "PF1 " and resid 238 and name HB2 ))
ASSI { 130}
(( segid "PF1 " and resid 204 and name HG2 ))
(( segid "PF1 " and resid 204 and name HB2 ))
1.500 0.300 0.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.80989E-01 ppm1 1.891 ppm2 2.022 CV 1
OR { 130}
(( segid "PF1 " and resid 228 and name HG1 ))
(( segid "PF1 " and resid 228 and name HB2 ))
OR { 130}
(( segid "PF1 " and resid 238 and name HG2 ))
(( segid "PF1 " and resid 238 and name HB2 ))
OR { 130}
(( segid "PF1 " and resid 228 and name HG2 ))
(( segid "PF1 " and resid 228 and name HB2 ))
OR { 130}
(( segid "PF1 " and resid 238 and name HG1 ))
(( segid "PF1 " and resid 238 and name HB2 ))
ASSI { 133}
(( segid "PF1 " and resid 238 and name HG1 ))
(( segid "PF1 " and resid 238 and name HD1 ))
2.200 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.80139E-02 ppm1 3.849 ppm2 2.028 CV 1
OR { 133}
(( segid "PF1 " and resid 204 and name HG1 ))
(( segid "PF1 " and resid 204 and name HD1 ))
OR { 133}
(( segid "PF1 " and resid 228 and name HG2 ))
(( segid "PF1 " and resid 228 and name HD1 ))
OR { 133}
(( segid "PF1 " and resid 204 and name HG2 ))
(( segid "PF1 " and resid 204 and name HD1 ))
OR { 133}
(( segid "PF1 " and resid 228 and name HG1 ))
(( segid "PF1 " and resid 228 and name HD1 ))
ASSI { 137}
(( segid "PF1 " and resid 204 and name HG2 ))
(( segid "PF1 " and resid 204 and name HD2 ))
2.200 0.600 0.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.80821E-02 ppm1 3.705 ppm2 2.024 CV 1
OR { 137}
(( segid "PF1 " and resid 222 and name HG1 ))
(( segid "PF1 " and resid 222 and name HD1 ))
OR { 137}
(( segid "PF1 " and resid 222 and name HG2 ))
(( segid "PF1 " and resid 222 and name HD1 ))
OR { 137}
(( segid "PF1 " and resid 204 and name HG1 ))
(( segid "PF1 " and resid 204 and name HD2 ))
ASSI { 138}
(( segid "PF1 " and resid 204 and name HA ))
(( segid "PF1 " and resid 204 and name HG1 ))
3.200 1.200 1.200 peak 138 spectrum 1 weight 0.10000E+01 volume 0.20418E-02 ppm1 2.033 ppm2 4.382 CV 1
OR { 138}
(( segid "PF1 " and resid 238 and name HA ))
(( segid "PF1 " and resid 238 and name HG2 ))
OR { 138}
(( segid "PF1 " and resid 238 and name HA ))
(( segid "PF1 " and resid 238 and name HG1 ))
OR { 138}
(( segid "PF1 " and resid 204 and name HA ))
(( segid "PF1 " and resid 204 and name HG2 ))
ASSI { 139}
(( segid "PF1 " and resid 204 and name HB1 ))
(( segid "PF1 " and resid 204 and name HG1 ))
1.800 0.400 0.400 peak 139 spectrum 1 weight 0.10000E+01 volume 0.30626E-01 ppm1 2.026 ppm2 2.294 CV 1
OR { 139}
(( segid "PF1 " and resid 238 and name HB1 ))
(( segid "PF1 " and resid 238 and name HG1 ))
OR { 139}
(( segid "PF1 " and resid 222 and name HB1 ))
(( segid "PF1 " and resid 222 and name HG2 ))
OR { 139}
(( segid "PF1 " and resid 204 and name HB1 ))
(( segid "PF1 " and resid 204 and name HG2 ))
OR { 139}
(( segid "PF1 " and resid 222 and name HB1 ))
(( segid "PF1 " and resid 222 and name HG1 ))
ASSI { 140}
(( segid "PF1 " and resid 238 and name HD1 ))
(( segid "PF1 " and resid 238 and name HG1 ))
2.200 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.86437E-02 ppm1 2.030 ppm2 3.847 CV 1
OR { 140}
(( segid "PF1 " and resid 204 and name HD1 ))
(( segid "PF1 " and resid 204 and name HG1 ))
OR { 140}
(( segid "PF1 " and resid 238 and name HD1 ))
(( segid "PF1 " and resid 238 and name HG2 ))
OR { 140}
(( segid "PF1 " and resid 204 and name HD1 ))
(( segid "PF1 " and resid 204 and name HG2 ))
ASSI { 141}
(( segid "PF1 " and resid 238 and name HD2 ))
(( segid "PF1 " and resid 238 and name HG2 ))
2.000 0.500 0.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.14462E-01 ppm1 2.024 ppm2 3.679 CV 1
OR { 141}
(( segid "PF1 " and resid 204 and name HD2 ))
(( segid "PF1 " and resid 204 and name HG2 ))
OR { 141}
(( segid "PF1 " and resid 222 and name HD1 ))
(( segid "PF1 " and resid 222 and name HG1 ))
OR { 141}
(( segid "PF1 " and resid 228 and name HD2 ))
(( segid "PF1 " and resid 228 and name HG1 ))
OR { 141}
(( segid "PF1 " and resid 228 and name HD2 ))
(( segid "PF1 " and resid 228 and name HG2 ))
OR { 141}
(( segid "PF1 " and resid 204 and name HD2 ))
(( segid "PF1 " and resid 204 and name HG1 ))
OR { 141}
(( segid "PF1 " and resid 238 and name HD2 ))
(( segid "PF1 " and resid 238 and name HG1 ))
ASSI { 143}
(( segid "PF1 " and resid 205 and name HB2 ))
(( segid "PF1 " and resid 205 and name HA ))
2.300 0.700 0.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.63467E-02 ppm1 4.294 ppm2 1.982 CV 1
OR { 143}
(( segid "PF1 " and resid 226 and name HB2 ))
(( segid "PF1 " and resid 226 and name HA ))
ASSI { 145}
(( segid "PF1 " and resid 205 and name HB2 ))
(( segid "PF1 " and resid 205 and name HB1 ))
1.400 0.200 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.75033E-01 ppm1 2.074 ppm2 1.969 CV 1
OR { 145}
(( segid "PF1 " and resid 226 and name HB2 ))
(( segid "PF1 " and resid 226 and name HB1 ))
ASSI { 149}
(( segid "PF1 " and resid 226 and name HG1 ))
(( segid "PF1 " and resid 226 and name HB2 ))
2.100 0.500 0.500 peak 149 spectrum 1 weight 0.10000E+01 volume 0.12710E-01 ppm1 1.969 ppm2 2.368 CV 1
OR { 149}
(( segid "PF1 " and resid 205 and name HG1 ))
(( segid "PF1 " and resid 205 and name HB2 ))
OR { 149}
(( segid "PF1 " and resid 205 and name HG2 ))
(( segid "PF1 " and resid 205 and name HB2 ))
ASSI { 151}
(( segid "PF1 " and resid 205 and name HB1 ))
(( segid "PF1 " and resid 205 and name HG2 ))
2.100 0.500 0.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.14922E-01 ppm1 2.371 ppm2 2.074 CV 1
OR { 151}
(( segid "PF1 " and resid 205 and name HB1 ))
(( segid "PF1 " and resid 205 and name HG1 ))
OR { 151}
(( segid "PF1 " and resid 226 and name HB1 ))
(( segid "PF1 " and resid 226 and name HG1 ))
ASSI { 153}
(( segid "PF1 " and resid 231 and name HB1 ))
(( segid "PF1 " and resid 231 and name HA ))
2.500 0.800 0.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.41345E-02 ppm1 4.353 ppm2 1.655 CV 1
OR { 153}
(( segid "PF1 " and resid 206 and name HB1 ))
(( segid "PF1 " and resid 206 and name HA ))
OR { 153}
(( segid "PF1 " and resid 220 and name HG2 ))
(( segid "PF1 " and resid 220 and name HA ))
ASSI { 156}
(( segid "PF1 " and resid 231 and name HA ))
(( segid "PF1 " and resid 231 and name HB1 ))
2.700 0.900 0.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.26713E-02 ppm1 1.665 ppm2 4.357 CV 1
OR { 156}
(( segid "PF1 " and resid 206 and name HA ))
(( segid "PF1 " and resid 206 and name HB1 ))
ASSI { 157}
( segid "PF1 " and resid 206 and name HD1%)
(( segid "PF1 " and resid 206 and name HB1 ))
2.600 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.67717E-02 ppm1 1.668 ppm2 0.911 CV 1
OR { 157}
( segid "PF1 " and resid 231 and name HD1%)
(( segid "PF1 " and resid 231 and name HB1 ))
ASSI { 161}
(( segid "PF1 " and resid 231 and name HA ))
( segid "PF1 " and resid 231 and name HD1%)
3.100 1.200 1.200 peak 161 spectrum 1 weight 0.10000E+01 volume 0.14820E-02 ppm1 0.922 ppm2 4.356 CV 1
OR { 161}
(( segid "PF1 " and resid 206 and name HA ))
( segid "PF1 " and resid 206 and name HD1%)
ASSI { 164}
(( segid "PF1 " and resid 206 and name HA ))
( segid "PF1 " and resid 206 and name HD2%)
2.500 0.800 0.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.77074E-02 ppm1 0.862 ppm2 4.352 CV 1
OR { 164}
(( segid "PF1 " and resid 231 and name HA ))
( segid "PF1 " and resid 231 and name HD2%)
ASSI { 196}
(( segid "PF1 " and resid 211 and name HG1 ))
(( segid "PF1 " and resid 211 and name HB1 ))
1.900 0.400 0.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.23820E-01 ppm1 2.149 ppm2 2.368 CV 1
OR { 196}
(( segid "PF1 " and resid 219 and name HG2 ))
(( segid "PF1 " and resid 219 and name HB2 ))
OR { 196}
(( segid "PF1 " and resid 219 and name HG1 ))
(( segid "PF1 " and resid 219 and name HB2 ))
OR { 196}
(( segid "PF1 " and resid 211 and name HG2 ))
(( segid "PF1 " and resid 211 and name HB1 ))
OR { 196}
(( segid "PF1 " and resid 211 and name HG2 ))
(( segid "PF1 " and resid 211 and name HB2 ))
ASSI { 199}
(( segid "PF1 " and resid 212 and name HB1 ))
(( segid "PF1 " and resid 212 and name HA ))
2.900 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.19397E-02 ppm1 4.147 ppm2 1.558 CV 1
OR { 199}
( segid "PF1 " and resid 215 and name HB% )
(( segid "PF1 " and resid 212 and name HA ))
ASSI { 201}
( segid "PF1 " and resid 237 and name HD2%)
(( segid "PF1 " and resid 237 and name HB2 ))
2.600 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.34199E-02 ppm1 1.589 ppm2 0.925 CV 1
OR { 201}
( segid "PF1 " and resid 212 and name HD1%)
(( segid "PF1 " and resid 212 and name HB1 ))
OR { 201}
( segid "PF1 " and resid 237 and name HD1%)
(( segid "PF1 " and resid 237 and name HB2 ))
ASSI { 202}
( segid "PF1 " and resid 212 and name HD1%)
(( segid "PF1 " and resid 212 and name HG ))
2.400 0.700 0.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.55638E-02 ppm1 1.779 ppm2 0.944 CV 1
OR { 202}
( segid "PF1 " and resid 227 and name HD1%)
(( segid "PF1 " and resid 227 and name HG ))
OR { 202}
( segid "PF1 " and resid 227 and name HD2%)
(( segid "PF1 " and resid 227 and name HG ))
ASSI { 239}
(( segid "PF1 " and resid 214 and name HA ))
(( segid "PF1 " and resid 214 and name HB ))
3.600 1.600 1.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.48151E-03 ppm1 1.745 ppm2 3.845 CV 1
OR { 239}
(( segid "PF1 " and resid 211 and name HA ))
(( segid "PF1 " and resid 214 and name HB ))
ASSI { 250}
(( segid "PF1 " and resid 211 and name HA ))
( segid "PF1 " and resid 214 and name HD1%)
3.300 1.400 1.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.99367E-03 ppm1 0.584 ppm2 3.871 CV 1
OR { 250}
(( segid "PF1 " and resid 214 and name HA ))
( segid "PF1 " and resid 214 and name HD1%)
ASSI { 280}
( segid "PF1 " and resid 214 and name HG2%)
(( segid "PF1 " and resid 217 and name HA ))
4.600 2.600 1.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.16521E-03 ppm1 4.025 ppm2 0.804 CV 1
OR { 280}
( segid "PF1 " and resid 213 and name HD1%)
(( segid "PF1 " and resid 217 and name HA ))
ASSI { 291}
(( segid "PF1 " and resid 218 and name HA ))
(( segid "PF1 " and resid 218 and name HB2 ))
3.900 1.900 1.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.28585E-03 ppm1 1.987 ppm2 4.032 CV 1
OR { 291}
(( segid "PF1 " and resid 215 and name HA ))
(( segid "PF1 " and resid 218 and name HB2 ))
ASSI { 297}
(( segid "PF1 " and resid 218 and name HA ))
( segid "PF1 " and resid 218 and name HE% )
3.500 1.500 1.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.84731E-03 ppm1 1.957 ppm2 4.039 CV 1
OR { 297}
(( segid "PF1 " and resid 215 and name HA ))
( segid "PF1 " and resid 218 and name HE% )
ASSI { 317}
(( segid "PF1 " and resid 206 and name HA ))
(( segid "PF1 " and resid 206 and name HG ))
2.900 1.000 1.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.20588E-02 ppm1 1.659 ppm2 4.348 CV 1
OR { 317}
(( segid "PF1 " and resid 220 and name HA ))
(( segid "PF1 " and resid 220 and name HG2 ))
ASSI { 339}
(( segid "PF1 " and resid 218 and name HB1 ))
(( segid "PF1 " and resid 218 and name HB2 ))
1.800 0.400 0.400 peak 339 spectrum 1 weight 0.10000E+01 volume 0.13186E-01 ppm1 1.993 ppm2 2.294 CV 1
OR { 339}
(( segid "PF1 " and resid 222 and name HB1 ))
(( segid "PF1 " and resid 222 and name HB2 ))
ASSI { 344}
(( segid "PF1 " and resid 238 and name HG2 ))
(( segid "PF1 " and resid 238 and name HD2 ))
2.100 0.600 0.600 peak 344 spectrum 1 weight 0.10000E+01 volume 0.95961E-02 ppm1 3.639 ppm2 2.027 CV 1
OR { 344}
(( segid "PF1 " and resid 222 and name HG2 ))
(( segid "PF1 " and resid 222 and name HD2 ))
OR { 344}
(( segid "PF1 " and resid 228 and name HG1 ))
(( segid "PF1 " and resid 228 and name HD2 ))
OR { 344}
(( segid "PF1 " and resid 228 and name HG2 ))
(( segid "PF1 " and resid 228 and name HD2 ))
OR { 344}
(( segid "PF1 " and resid 238 and name HG1 ))
(( segid "PF1 " and resid 238 and name HD2 ))
ASSI { 345}
(( segid "PF1 " and resid 222 and name HA ))
(( segid "PF1 " and resid 222 and name HG2 ))
3.600 1.600 1.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.11366E-02 ppm1 2.020 ppm2 4.458 CV 1
OR { 345}
(( segid "PF1 " and resid 222 and name HA ))
(( segid "PF1 " and resid 222 and name HG1 ))
OR { 345}
(( segid "PF1 " and resid 203 and name HA ))
(( segid "PF1 " and resid 204 and name HG2 ))
OR { 345}
(( segid "PF1 " and resid 203 and name HA ))
(( segid "PF1 " and resid 204 and name HG1 ))
ASSI { 348}
(( segid "PF1 " and resid 235 and name HA ))
( segid "PF1 " and resid 235 and name HG2%)
2.600 0.800 0.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.43557E-02 ppm1 1.191 ppm2 4.343 CV 1
OR { 348}
(( segid "PF1 " and resid 234 and name HA ))
( segid "PF1 " and resid 234 and name HG2%)
ASSI { 363}
(( segid "PF1 " and resid 226 and name HB1 ))
(( segid "PF1 " and resid 226 and name HA ))
2.400 0.700 0.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.49682E-02 ppm1 4.294 ppm2 2.050 CV 1
OR { 363}
(( segid "PF1 " and resid 205 and name HB1 ))
(( segid "PF1 " and resid 205 and name HA ))
ASSI { 365}
(( segid "PF1 " and resid 230 and name HA ))
(( segid "PF1 " and resid 230 and name HB1 ))
2.600 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.41005E-02 ppm1 2.055 ppm2 4.287 CV 1
OR { 365}
(( segid "PF1 " and resid 226 and name HA ))
(( segid "PF1 " and resid 226 and name HB1 ))
ASSI { 366}
(( segid "PF1 " and resid 226 and name HG2 ))
(( segid "PF1 " and resid 226 and name HB1 ))
2.000 0.500 0.500 peak 366 spectrum 1 weight 0.10000E+01 volume 0.15296E-01 ppm1 2.051 ppm2 2.283 CV 1
OR { 366}
(( segid "PF1 " and resid 230 and name HG2 ))
(( segid "PF1 " and resid 230 and name HB1 ))
OR { 366}
(( segid "PF1 " and resid 230 and name HG1 ))
(( segid "PF1 " and resid 230 and name HB1 ))
ASSI { 367}
(( segid "PF1 " and resid 226 and name HA ))
(( segid "PF1 " and resid 226 and name HB2 ))
2.400 0.700 0.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.53256E-02 ppm1 1.968 ppm2 4.284 CV 1
OR { 367}
(( segid "PF1 " and resid 230 and name HA ))
(( segid "PF1 " and resid 230 and name HB2 ))
ASSI { 368}
(( segid "PF1 " and resid 230 and name HG1 ))
(( segid "PF1 " and resid 230 and name HB2 ))
2.100 0.500 0.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.14616E-01 ppm1 1.963 ppm2 2.278 CV 1
OR { 368}
(( segid "PF1 " and resid 230 and name HG2 ))
(( segid "PF1 " and resid 230 and name HB2 ))
OR { 368}
(( segid "PF1 " and resid 226 and name HG2 ))
(( segid "PF1 " and resid 226 and name HB2 ))
ASSI { 371}
( segid "PF1 " and resid 237 and name HD2%)
(( segid "PF1 " and resid 237 and name HA ))
2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.33859E-02 ppm1 4.576 ppm2 0.920 CV 1
OR { 371}
( segid "PF1 " and resid 227 and name HD1%)
(( segid "PF1 " and resid 227 and name HA ))
OR { 371}
( segid "PF1 " and resid 237 and name HD1%)
(( segid "PF1 " and resid 237 and name HA ))
OR { 371}
( segid "PF1 " and resid 227 and name HD2%)
(( segid "PF1 " and resid 227 and name HA ))
ASSI { 372}
(( segid "PF1 " and resid 236 and name HA ))
(( segid "PF1 " and resid 237 and name HA ))
2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.32838E-02 ppm1 4.581 ppm2 4.285 CV 1
OR { 372}
(( segid "PF1 " and resid 226 and name HA ))
(( segid "PF1 " and resid 227 and name HA ))
OR { 372}
(( segid "PF1 " and resid 230 and name HA ))
(( segid "PF1 " and resid 229 and name HA ))
ASSI { 373}
(( segid "PF1 " and resid 237 and name HB2 ))
(( segid "PF1 " and resid 237 and name HA ))
2.600 0.800 0.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.38623E-02 ppm1 4.569 ppm2 1.577 CV 1
OR { 373}
(( segid "PF1 " and resid 227 and name HB2 ))
(( segid "PF1 " and resid 227 and name HA ))
ASSI { 374}
(( segid "PF1 " and resid 238 and name HD1 ))
(( segid "PF1 " and resid 237 and name HA ))
2.400 0.700 0.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.58020E-02 ppm1 4.581 ppm2 3.840 CV 1
OR { 374}
(( segid "PF1 " and resid 228 and name HD1 ))
(( segid "PF1 " and resid 227 and name HA ))
ASSI { 375}
(( segid "PF1 " and resid 238 and name HD2 ))
(( segid "PF1 " and resid 237 and name HA ))
2.500 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.40835E-02 ppm1 4.581 ppm2 3.643 CV 1
OR { 375}
(( segid "PF1 " and resid 228 and name HD2 ))
(( segid "PF1 " and resid 227 and name HA ))
ASSI { 377}
( segid "PF1 " and resid 227 and name HD1%)
(( segid "PF1 " and resid 227 and name HB2 ))
2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.12115E-01 ppm1 1.577 ppm2 0.931 CV 1
OR { 377}
( segid "PF1 " and resid 227 and name HD2%)
(( segid "PF1 " and resid 227 and name HB2 ))
OR { 377}
( segid "PF1 " and resid 237 and name HD1%)
(( segid "PF1 " and resid 237 and name HB2 ))
OR { 377}
( segid "PF1 " and resid 231 and name HD1%)
(( segid "PF1 " and resid 231 and name HB2 ))
ASSI { 380}
( segid "PF1 " and resid 212 and name HD1%)
(( segid "PF1 " and resid 212 and name HG ))
2.500 0.800 0.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.37432E-02 ppm1 1.778 ppm2 0.904 CV 1
OR { 380}
( segid "PF1 " and resid 212 and name HD2%)
(( segid "PF1 " and resid 212 and name HG ))
OR { 380}
( segid "PF1 " and resid 227 and name HD1%)
(( segid "PF1 " and resid 227 and name HG ))
OR { 380}
( segid "PF1 " and resid 227 and name HD2%)
(( segid "PF1 " and resid 227 and name HG ))
ASSI { 383}
(( segid "PF1 " and resid 237 and name HA ))
( segid "PF1 " and resid 237 and name HD2%)
2.600 0.900 0.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.40665E-02 ppm1 0.917 ppm2 4.572 CV 1
OR { 383}
(( segid "PF1 " and resid 227 and name HA ))
( segid "PF1 " and resid 227 and name HD2%)
ASSI { 384}
(( segid "PF1 " and resid 237 and name HG ))
( segid "PF1 " and resid 237 and name HD2%)
2.400 0.700 0.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.53426E-02 ppm1 0.922 ppm2 1.680 CV 1
OR { 384}
(( segid "PF1 " and resid 227 and name HB1 ))
( segid "PF1 " and resid 227 and name HD2%)
OR { 384}
(( segid "PF1 " and resid 237 and name HB1 ))
( segid "PF1 " and resid 237 and name HD2%)
ASSI { 385}
(( segid "PF1 " and resid 237 and name HB2 ))
( segid "PF1 " and resid 237 and name HD2%)
2.600 0.800 0.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.51214E-02 ppm1 0.922 ppm2 1.574 CV 1
OR { 385}
(( segid "PF1 " and resid 227 and name HB2 ))
( segid "PF1 " and resid 227 and name HD2%)
ASSI { 387}
(( segid "PF1 " and resid 238 and name HD2 ))
( segid "PF1 " and resid 237 and name HD2%)
3.000 1.100 1.100 peak 387 spectrum 1 weight 0.10000E+01 volume 0.85581E-03 ppm1 0.914 ppm2 3.641 CV 1
OR { 387}
(( segid "PF1 " and resid 228 and name HD2 ))
( segid "PF1 " and resid 227 and name HD2%)
ASSI { 390}
(( segid "PF1 " and resid 204 and name HD1 ))
(( segid "PF1 " and resid 204 and name HA ))
3.000 1.100 1.100 peak 390 spectrum 1 weight 0.10000E+01 volume 0.15636E-02 ppm1 4.379 ppm2 3.855 CV 1
OR { 390}
(( segid "PF1 " and resid 228 and name HD1 ))
(( segid "PF1 " and resid 228 and name HA ))
OR { 390}
(( segid "PF1 " and resid 238 and name HD1 ))
(( segid "PF1 " and resid 238 and name HA ))
ASSI { 395}
(( segid "PF1 " and resid 222 and name HD2 ))
(( segid "PF1 " and resid 222 and name HB1 ))
4.000 2.000 2.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.61420E-03 ppm1 2.296 ppm2 3.664 CV 1
OR { 395}
(( segid "PF1 " and resid 204 and name HD2 ))
(( segid "PF1 " and resid 204 and name HB1 ))
OR { 395}
(( segid "PF1 " and resid 228 and name HD2 ))
(( segid "PF1 " and resid 228 and name HB1 ))
OR { 395}
(( segid "PF1 " and resid 238 and name HD2 ))
(( segid "PF1 " and resid 238 and name HB1 ))
ASSI { 396}
(( segid "PF1 " and resid 222 and name HB2 ))
(( segid "PF1 " and resid 222 and name HB1 ))
1.600 0.300 0.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.48832E-01 ppm1 2.297 ppm2 2.029 CV 1
OR { 396}
(( segid "PF1 " and resid 204 and name HG1 ))
(( segid "PF1 " and resid 204 and name HB1 ))
OR { 396}
(( segid "PF1 " and resid 228 and name HG2 ))
(( segid "PF1 " and resid 228 and name HB1 ))
OR { 396}
(( segid "PF1 " and resid 238 and name HG1 ))
(( segid "PF1 " and resid 238 and name HB1 ))
OR { 396}
(( segid "PF1 " and resid 228 and name HG1 ))
(( segid "PF1 " and resid 228 and name HB1 ))
OR { 396}
(( segid "PF1 " and resid 204 and name HG2 ))
(( segid "PF1 " and resid 204 and name HB1 ))
OR { 396}
(( segid "PF1 " and resid 222 and name HG1 ))
(( segid "PF1 " and resid 222 and name HB1 ))
ASSI { 400}
(( segid "PF1 " and resid 237 and name HB2 ))
(( segid "PF1 " and resid 238 and name HD1 ))
3.400 1.500 1.500 peak 400 spectrum 1 weight 0.10000E+01 volume 0.72141E-03 ppm1 3.842 ppm2 1.563 CV 1
OR { 400}
(( segid "PF1 " and resid 227 and name HB2 ))
(( segid "PF1 " and resid 228 and name HD1 ))
ASSI { 402}
( segid "PF1 " and resid 237 and name HD2%)
(( segid "PF1 " and resid 238 and name HD1 ))
4.000 2.000 2.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.23820E-03 ppm1 3.837 ppm2 0.938 CV 1
OR { 402}
( segid "PF1 " and resid 237 and name HD1%)
(( segid "PF1 " and resid 238 and name HD1 ))
OR { 402}
( segid "PF1 " and resid 227 and name HD1%)
(( segid "PF1 " and resid 228 and name HD1 ))
ASSI { 403}
(( segid "PF1 " and resid 238 and name HB2 ))
(( segid "PF1 " and resid 238 and name HD1 ))
3.300 1.400 1.400 peak 403 spectrum 1 weight 0.10000E+01 volume 0.17865E-02 ppm1 3.849 ppm2 1.915 CV 1
OR { 403}
(( segid "PF1 " and resid 228 and name HB2 ))
(( segid "PF1 " and resid 228 and name HD1 ))
OR { 403}
(( segid "PF1 " and resid 204 and name HB2 ))
(( segid "PF1 " and resid 204 and name HD1 ))
ASSI { 404}
(( segid "PF1 " and resid 227 and name HB2 ))
(( segid "PF1 " and resid 228 and name HD2 ))
2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.27223E-02 ppm1 3.643 ppm2 1.562 CV 1
OR { 404}
(( segid "PF1 " and resid 237 and name HB2 ))
(( segid "PF1 " and resid 238 and name HD2 ))
ASSI { 408}
(( segid "PF1 " and resid 204 and name HB1 ))
(( segid "PF1 " and resid 204 and name HG1 ))
1.800 0.400 0.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.28414E-01 ppm1 2.025 ppm2 2.292 CV 1
OR { 408}
(( segid "PF1 " and resid 228 and name HB1 ))
(( segid "PF1 " and resid 228 and name HG2 ))
OR { 408}
(( segid "PF1 " and resid 238 and name HB1 ))
(( segid "PF1 " and resid 238 and name HG1 ))
OR { 408}
(( segid "PF1 " and resid 222 and name HB1 ))
(( segid "PF1 " and resid 222 and name HG2 ))
OR { 408}
(( segid "PF1 " and resid 228 and name HB1 ))
(( segid "PF1 " and resid 228 and name HG1 ))
OR { 408}
(( segid "PF1 " and resid 204 and name HB1 ))
(( segid "PF1 " and resid 204 and name HG2 ))
OR { 408}
(( segid "PF1 " and resid 222 and name HB1 ))
(( segid "PF1 " and resid 222 and name HG1 ))
ASSI { 445}
( segid "PF1 " and resid 234 and name HG2%)
(( segid "PF1 " and resid 234 and name HB ))
2.100 0.600 0.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.11945E-01 ppm1 4.208 ppm2 1.191 CV 1
OR { 445}
( segid "PF1 " and resid 232 and name HG2%)
(( segid "PF1 " and resid 232 and name HB ))
ASSI { 446}
(( segid "PF1 " and resid 234 and name HB ))
( segid "PF1 " and resid 234 and name HG2%)
2.000 0.500 0.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.13628E-01 ppm1 1.187 ppm2 4.206 CV 1
OR { 446}
(( segid "PF1 " and resid 223 and name HB ))
( segid "PF1 " and resid 223 and name HG2%)
OR { 446}
(( segid "PF1 " and resid 232 and name HB ))
( segid "PF1 " and resid 232 and name HG2%)
OR { 446}
(( segid "PF1 " and resid 235 and name HB ))
( segid "PF1 " and resid 235 and name HG2%)
ASSI { 447}
(( segid "PF1 " and resid 234 and name HB ))
(( segid "PF1 " and resid 234 and name HA ))
1.900 0.500 0.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.20758E-01 ppm1 4.342 ppm2 4.220 CV 1
OR { 447}
(( segid "PF1 " and resid 235 and name HB ))
(( segid "PF1 " and resid 235 and name HA ))
ASSI { 449}
(( segid "PF1 " and resid 223 and name HA ))
(( segid "PF1 " and resid 223 and name HB ))
2.200 0.600 0.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.81330E-02 ppm1 4.204 ppm2 4.327 CV 1
OR { 449}
(( segid "PF1 " and resid 235 and name HA ))
(( segid "PF1 " and resid 235 and name HB ))
ASSI { 450}
( segid "PF1 " and resid 223 and name HG2%)
(( segid "PF1 " and resid 223 and name HB ))
2.100 0.600 0.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.11264E-01 ppm1 4.202 ppm2 1.196 CV 1
OR { 450}
( segid "PF1 " and resid 235 and name HG2%)
(( segid "PF1 " and resid 235 and name HB ))
ASSI { 451}
(( segid "PF1 " and resid 234 and name HB ))
( segid "PF1 " and resid 234 and name HG2%)
2.000 0.500 0.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.15466E-01 ppm1 1.191 ppm2 4.199 CV 1
OR { 451}
(( segid "PF1 " and resid 223 and name HB ))
( segid "PF1 " and resid 223 and name HG2%)
OR { 451}
(( segid "PF1 " and resid 235 and name HB ))
( segid "PF1 " and resid 235 and name HG2%)
ASSI { 459}
( segid "PF1 " and resid 227 and name HD1%)
(( segid "PF1 " and resid 227 and name HB2 ))
2.200 0.600 0.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.92902E-02 ppm1 1.578 ppm2 0.928 CV 1
OR { 459}
( segid "PF1 " and resid 212 and name HD1%)
(( segid "PF1 " and resid 212 and name HB1 ))
OR { 459}
( segid "PF1 " and resid 227 and name HD2%)
(( segid "PF1 " and resid 227 and name HB2 ))
OR { 459}
( segid "PF1 " and resid 237 and name HD1%)
(( segid "PF1 " and resid 237 and name HB2 ))
ASSI { 471}
(( segid "PF1 " and resid 222 and name HB2 ))
(( segid "PF1 " and resid 222 and name HB1 ))
1.500 0.300 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.57339E-01 ppm1 2.297 ppm2 2.031 CV 1
OR { 471}
(( segid "PF1 " and resid 204 and name HG1 ))
(( segid "PF1 " and resid 204 and name HB1 ))
OR { 471}
(( segid "PF1 " and resid 204 and name HG2 ))
(( segid "PF1 " and resid 204 and name HB1 ))
OR { 471}
(( segid "PF1 " and resid 222 and name HG1 ))
(( segid "PF1 " and resid 222 and name HB1 ))
ASSI { 478}
(( segid "PF1 " and resid 222 and name HB1 ))
(( segid "PF1 " and resid 222 and name HD2 ))
3.200 1.300 1.300 peak 478 spectrum 1 weight 0.10000E+01 volume 0.22289E-02 ppm1 3.641 ppm2 2.294 CV 1
OR { 478}
(( segid "PF1 " and resid 228 and name HB1 ))
(( segid "PF1 " and resid 228 and name HD2 ))
OR { 478}
(( segid "PF1 " and resid 238 and name HB1 ))
(( segid "PF1 " and resid 238 and name HD2 ))
ASSI { 480}
(( segid "PF1 " and resid 202 and name HA ))
(( segid "PF1 " and resid 201 and name HA ))
3.800 1.900 1.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.54276E-03 ppm1 4.519 ppm2 3.962 CV 1
OR { 480}
(( segid "PF1 " and resid 239 and name HA1 ))
(( segid "PF1 " and resid 240 and name HA ))
OR { 480}
(( segid "PF1 " and resid 239 and name HA2 ))
(( segid "PF1 " and resid 240 and name HA ))
ASSI { 494}
( segid "PF1 " and resid 215 and name HB% )
(( segid "PF1 " and resid 218 and name HB1 ))
3.700 1.700 1.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.70782E-03 ppm1 2.294 ppm2 1.589 CV 1
OR { 494}
(( segid "PF1 " and resid 227 and name HB2 ))
(( segid "PF1 " and resid 228 and name HB1 ))
OR { 494}
(( segid "PF1 " and resid 237 and name HB2 ))
(( segid "PF1 " and resid 238 and name HB1 ))
ASSI { 495}
( segid "PF1 " and resid 237 and name HD2%)
(( segid "PF1 " and resid 238 and name HB1 ))
3.400 1.500 1.500 peak 495 spectrum 1 weight 0.10000E+01 volume 0.54957E-03 ppm1 2.302 ppm2 0.933 CV 1
OR { 495}
( segid "PF1 " and resid 206 and name HD1%)
(( segid "PF1 " and resid 204 and name HB1 ))
OR { 495}
( segid "PF1 " and resid 237 and name HD1%)
(( segid "PF1 " and resid 238 and name HB1 ))
OR { 495}
( segid "PF1 " and resid 227 and name HD1%)
(( segid "PF1 " and resid 228 and name HB1 ))
ASSI { 505}
(( segid "PF1 " and resid 227 and name HB1 ))
(( segid "PF1 " and resid 227 and name HA ))
3.100 1.200 1.200 peak 505 spectrum 1 weight 0.10000E+01 volume 0.10702E-02 ppm1 4.579 ppm2 1.683 CV 1
OR { 505}
(( segid "PF1 " and resid 237 and name HB1 ))
(( segid "PF1 " and resid 237 and name HA ))
ASSI { 23}
(( segid "PAH2" and resid 299 and name HB2 ))
(( segid "PAH2" and resid 299 and name HN ))
2.500 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.78549E-02 ppm1 8.310 ppm2 2.789 CV 1
OR { 23}
(( segid "PAH2" and resid 298 and name HB2 ))
(( segid "PAH2" and resid 299 and name HN ))
ASSI { 24}
(( segid "PAH2" and resid 299 and name HA ))
(( segid "PAH2" and resid 299 and name HN ))
2.600 0.800 0.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.63467E-02 ppm1 8.309 ppm2 4.756 CV 1
OR { 24}
(( segid "PAH2" and resid 298 and name HA ))
(( segid "PAH2" and resid 299 and name HN ))
ASSI { 35}
(( segid "PAH2" and resid 301 and name HB1 ))
(( segid "PAH2" and resid 302 and name HN ))
3.600 1.600 1.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.19451E-02 ppm1 8.232 ppm2 2.370 CV 1
OR { 35}
(( segid "PAH2" and resid 303 and name HG1 ))
(( segid "PAH2" and resid 302 and name HN ))
ASSI { 36}
(( segid "PAH2" and resid 301 and name HG2 ))
(( segid "PAH2" and resid 302 and name HN ))
2.300 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.13341E-01 ppm1 8.237 ppm2 2.045 CV 1
OR { 36}
(( segid "PAH2" and resid 302 and name HB ))
(( segid "PAH2" and resid 302 and name HN ))
OR { 36}
(( segid "PAH2" and resid 301 and name HG1 ))
(( segid "PAH2" and resid 302 and name HN ))
ASSI { 47}
(( segid "PAH2" and resid 305 and name HA ))
(( segid "PAH2" and resid 305 and name HN ))
3.000 1.100 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.21072E-02 ppm1 8.368 ppm2 4.351 CV 1
OR { 47}
(( segid "PAH2" and resid 304 and name HA ))
(( segid "PAH2" and resid 305 and name HN ))
ASSI { 57}
(( segid "PAH2" and resid 304 and name HA ))
(( segid "PAH2" and resid 307 and name HN ))
3.500 1.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 8.073 ppm2 4.373 CV 1
OR { 57}
(( segid "PAH2" and resid 305 and name HA ))
(( segid "PAH2" and resid 307 and name HN ))
ASSI { 61}
(( segid "PAH2" and resid 305 and name HA ))
(( segid "PAH2" and resid 308 and name HN ))
3.400 1.500 1.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.14713E-02 ppm1 8.063 ppm2 4.356 CV 1
OR { 61}
(( segid "PAH2" and resid 305 and name HA ))
(( segid "PAH2" and resid 309 and name HN ))
OR { 61}
(( segid "PAH2" and resid 304 and name HA ))
(( segid "PAH2" and resid 308 and name HN ))
ASSI { 66}
(( segid "PAH2" and resid 339 and name HA ))
(( segid "PAH2" and resid 339 and name HN ))
2.500 0.800 0.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.69325E-02 ppm1 8.049 ppm2 3.869 CV 1
OR { 66}
(( segid "PAH2" and resid 347 and name HA2 ))
(( segid "PAH2" and resid 348 and name HN ))
ASSI { 67}
(( segid "PAH2" and resid 347 and name HA1 ))
(( segid "PAH2" and resid 348 and name HN ))
2.500 0.800 0.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.86656E-02 ppm1 8.049 ppm2 4.033 CV 1
OR { 67}
(( segid "PAH2" and resid 335 and name HA ))
(( segid "PAH2" and resid 339 and name HN ))
OR { 67}
(( segid "PAH2" and resid 346 and name HA1 ))
(( segid "PAH2" and resid 348 and name HN ))
ASSI { 83}
(( segid "PAH2" and resid 362 and name HN ))
(( segid "PAH2" and resid 361 and name HN ))
2.300 0.700 0.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.66584E-02 ppm1 8.104 ppm2 8.357 CV 1
OR { 83}
(( segid "PAH2" and resid 311 and name HN ))
(( segid "PAH2" and resid 312 and name HN ))
ASSI { 85}
(( segid "PAH2" and resid 311 and name HA ))
(( segid "PAH2" and resid 312 and name HN ))
3.500 1.500 1.500 peak 85 spectrum 1 weight 0.10000E+01 volume 0.98378E-03 ppm1 8.108 ppm2 3.405 CV 1
OR { 85}
(( segid "PAH2" and resid 358 and name HA ))
(( segid "PAH2" and resid 361 and name HN ))
ASSI { 87}
(( segid "PAH2" and resid 312 and name HB2 ))
(( segid "PAH2" and resid 312 and name HN ))
2.500 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.54986E-02 ppm1 8.107 ppm2 2.692 CV 1
OR { 87}
(( segid "PAH2" and resid 312 and name HB1 ))
(( segid "PAH2" and resid 312 and name HN ))
OR { 87}
(( segid "PAH2" and resid 361 and name HG1 ))
(( segid "PAH2" and resid 361 and name HN ))
ASSI { 100}
(( segid "PAH2" and resid 313 and name HN ))
(( segid "PAH2" and resid 314 and name HN ))
2.200 0.600 0.600 peak 100 spectrum 1 weight 0.10000E+01 volume 0.79173E-02 ppm1 7.810 ppm2 8.011 CV 1
OR { 100}
(( segid "PAH2" and resid 315 and name HN ))
(( segid "PAH2" and resid 314 and name HN ))
ASSI { 101}
(( segid "PAH2" and resid 311 and name HA ))
(( segid "PAH2" and resid 314 and name HN ))
4.000 2.000 2.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.46383E-03 ppm1 7.811 ppm2 3.397 CV 1
OR { 101}
(( segid "PAH2" and resid 376 and name HB2 ))
(( segid "PAH2" and resid 375 and name HN ))
ASSI { 102}
(( segid "PAH2" and resid 314 and name HB ))
(( segid "PAH2" and resid 314 and name HN ))
2.500 0.800 0.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.56732E-02 ppm1 7.808 ppm2 1.861 CV 1
OR { 102}
(( segid "PAH2" and resid 313 and name HB2 ))
(( segid "PAH2" and resid 314 and name HN ))
ASSI { 107}
( segid "PAH2" and resid 314 and name HD1%)
(( segid "PAH2" and resid 314 and name HN ))
4.600 4.600 1.400 peak 107 spectrum 1 weight 0.10000E+01 volume 0.50996E-03 ppm1 7.805 ppm2 -0.033 CV 1
OR { 107}
(( segid "PAH2" and resid 374 and name HG ))
(( segid "PAH2" and resid 375 and name HN ))
ASSI { 108}
(( segid "PAH2" and resid 312 and name HA ))
(( segid "PAH2" and resid 315 and name HN ))
4.300 2.300 1.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.31919E-03 ppm1 8.047 ppm2 4.357 CV 1
OR { 108}
(( segid "PAH2" and resid 316 and name HA ))
(( segid "PAH2" and resid 315 and name HN ))
ASSI { 114}
(( segid "PAH2" and resid 315 and name HG2 ))
(( segid "PAH2" and resid 315 and name HN ))
3.400 1.400 1.400 peak 114 spectrum 1 weight 0.10000E+01 volume 0.17082E-02 ppm1 8.046 ppm2 0.775 CV 1
OR { 114}
( segid "PAH2" and resid 314 and name HG2%)
(( segid "PAH2" and resid 315 and name HN ))
OR { 114}
(( segid "PAH2" and resid 315 and name HG1 ))
(( segid "PAH2" and resid 315 and name HN ))
ASSI { 117}
(( segid "PAH2" and resid 315 and name HB1 ))
(( segid "PAH2" and resid 316 and name HN ))
2.900 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.27306E-02 ppm1 7.902 ppm2 1.608 CV 1
OR { 117}
(( segid "PAH2" and resid 317 and name HB1 ))
(( segid "PAH2" and resid 316 and name HN ))
ASSI { 124}
(( segid "PAH2" and resid 316 and name HA ))
(( segid "PAH2" and resid 317 and name HN ))
3.800 1.800 1.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.79549E-03 ppm1 8.202 ppm2 4.316 CV 1
OR { 124}
(( segid "PAH2" and resid 374 and name HA ))
(( segid "PAH2" and resid 373 and name HN ))
ASSI { 127}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 317 and name HN ))
3.100 1.200 1.200 peak 127 spectrum 1 weight 0.10000E+01 volume 0.36408E-02 ppm1 8.208 ppm2 1.594 CV 1
OR { 127}
(( segid "PAH2" and resid 315 and name HB1 ))
(( segid "PAH2" and resid 317 and name HN ))
ASSI { 132}
(( segid "PAH2" and resid 317 and name HA ))
(( segid "PAH2" and resid 318 and name HN ))
3.500 1.600 1.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.17331E-02 ppm1 7.337 ppm2 3.868 CV 1
OR { 132}
(( segid "PAH2" and resid 318 and name HB1 ))
(( segid "PAH2" and resid 318 and name HN ))
ASSI { 142}
(( segid "PAH2" and resid 317 and name HA ))
(( segid "PAH2" and resid 319 and name HN ))
4.100 2.100 1.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.65959E-03 ppm1 7.207 ppm2 3.854 CV 1
OR { 142}
(( segid "PAH2" and resid 320 and name HA2 ))
(( segid "PAH2" and resid 319 and name HN ))
ASSI { 143}
(( segid "PAH2" and resid 318 and name HB2 ))
(( segid "PAH2" and resid 319 and name HN ))
3.200 1.300 1.300 peak 143 spectrum 1 weight 0.10000E+01 volume 0.34413E-02 ppm1 7.208 ppm2 2.428 CV 1
OR { 143}
(( segid "PAH2" and resid 319 and name HG1 ))
(( segid "PAH2" and resid 319 and name HN ))
OR { 143}
(( segid "PAH2" and resid 319 and name HG2 ))
(( segid "PAH2" and resid 319 and name HN ))
ASSI { 151}
(( segid "PAH2" and resid 319 and name HG1 ))
(( segid "PAH2" and resid 320 and name HN ))
3.600 1.600 1.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.13715E-02 ppm1 8.884 ppm2 2.423 CV 1
OR { 151}
(( segid "PAH2" and resid 319 and name HG2 ))
(( segid "PAH2" and resid 320 and name HN ))
OR { 151}
(( segid "PAH2" and resid 318 and name HB2 ))
(( segid "PAH2" and resid 320 and name HN ))
ASSI { 191}
(( segid "PAH2" and resid 325 and name HA ))
(( segid "PAH2" and resid 326 and name HN ))
4.800 2.900 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.17331E-03 ppm1 8.096 ppm2 4.128 CV 1
OR { 191}
(( segid "PAH2" and resid 327 and name HA ))
(( segid "PAH2" and resid 326 and name HN ))
ASSI { 194}
(( segid "PAH2" and resid 326 and name HG1 ))
(( segid "PAH2" and resid 326 and name HN ))
3.400 1.500 1.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.26683E-02 ppm1 8.103 ppm2 1.564 CV 1
OR { 194}
(( segid "PAH2" and resid 324 and name HB ))
(( segid "PAH2" and resid 326 and name HN ))
ASSI { 198}
(( segid "PAH2" and resid 324 and name HA ))
(( segid "PAH2" and resid 327 and name HN ))
3.200 1.300 1.300 peak 198 spectrum 1 weight 0.10000E+01 volume 0.16583E-02 ppm1 7.810 ppm2 3.695 CV 1
OR { 198}
(( segid "PAH2" and resid 326 and name HA ))
(( segid "PAH2" and resid 327 and name HN ))
ASSI { 200}
(( segid "PAH2" and resid 327 and name HN ))
(( segid "PAH2" and resid 328 and name HN ))
2.100 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.11708E-01 ppm1 8.014 ppm2 7.835 CV 1
OR { 200}
(( segid "PAH2" and resid 329 and name HN ))
(( segid "PAH2" and resid 328 and name HN ))
ASSI { 205}
( segid "PAH2" and resid 365 and name HD2%)
(( segid "PAH2" and resid 328 and name HN ))
3.500 1.500 1.500 peak 205 spectrum 1 weight 0.10000E+01 volume 0.14089E-02 ppm1 8.016 ppm2 0.748 CV 1
OR { 205}
( segid "PAH2" and resid 331 and name HD1%)
(( segid "PAH2" and resid 328 and name HN ))
ASSI { 218}
(( segid "PAH2" and resid 330 and name HA ))
(( segid "PAH2" and resid 331 and name HN ))
4.200 2.200 1.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.32418E-03 ppm1 7.761 ppm2 4.073 CV 1
OR { 218}
(( segid "PAH2" and resid 327 and name HA ))
(( segid "PAH2" and resid 331 and name HN ))
ASSI { 237}
(( segid "PAH2" and resid 334 and name HA ))
(( segid "PAH2" and resid 334 and name HN ))
3.300 1.400 1.400 peak 237 spectrum 1 weight 0.10000E+01 volume 0.11209E-02 ppm1 8.668 ppm2 3.738 CV 1
OR { 237}
(( segid "PAH2" and resid 331 and name HA ))
(( segid "PAH2" and resid 334 and name HN ))
ASSI { 244}
(( segid "PAH2" and resid 335 and name HA ))
(( segid "PAH2" and resid 335 and name HN ))
2.900 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.28179E-02 ppm1 8.159 ppm2 3.994 CV 1
OR { 244}
(( segid "PAH2" and resid 370 and name HA ))
(( segid "PAH2" and resid 373 and name HN ))
ASSI { 245}
(( segid "PAH2" and resid 334 and name HB ))
(( segid "PAH2" and resid 335 and name HN ))
2.600 0.900 0.900 peak 245 spectrum 1 weight 0.10000E+01 volume 0.35909E-02 ppm1 8.159 ppm2 4.358 CV 1
OR { 245}
(( segid "PAH2" and resid 372 and name HA ))
(( segid "PAH2" and resid 373 and name HN ))
ASSI { 252}
(( segid "PAH2" and resid 336 and name HA ))
(( segid "PAH2" and resid 336 and name HN ))
3.400 1.400 1.400 peak 252 spectrum 1 weight 0.10000E+01 volume 0.10211E-02 ppm1 8.440 ppm2 3.983 CV 1
OR { 252}
(( segid "PAH2" and resid 335 and name HA ))
(( segid "PAH2" and resid 336 and name HN ))
ASSI { 257}
(( segid "PAH2" and resid 336 and name HB1 ))
(( segid "PAH2" and resid 337 and name HN ))
3.000 1.100 1.100 peak 257 spectrum 1 weight 0.10000E+01 volume 0.19700E-02 ppm1 8.298 ppm2 2.422 CV 1
OR { 257}
(( segid "PAH2" and resid 338 and name HG2 ))
(( segid "PAH2" and resid 337 and name HN ))
ASSI { 265}
(( segid "PAH2" and resid 347 and name HA2 ))
(( segid "PAH2" and resid 348 and name HN ))
3.200 1.300 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.20573E-02 ppm1 8.097 ppm2 3.888 CV 1
OR { 265}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 338 and name HN ))
OR { 265}
(( segid "PAH2" and resid 346 and name HA2 ))
(( segid "PAH2" and resid 348 and name HN ))
ASSI { 266}
(( segid "PAH2" and resid 347 and name HN ))
(( segid "PAH2" and resid 348 and name HN ))
1.800 0.400 0.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.29800E-01 ppm1 8.099 ppm2 8.282 CV 1
OR { 266}
(( segid "PAH2" and resid 337 and name HN ))
(( segid "PAH2" and resid 338 and name HN ))
ASSI { 269}
(( segid "PAH2" and resid 339 and name HB2 ))
(( segid "PAH2" and resid 340 and name HN ))
2.200 0.600 0.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.12419E-01 ppm1 7.931 ppm2 1.902 CV 1
OR { 269}
(( segid "PAH2" and resid 340 and name HB1 ))
(( segid "PAH2" and resid 340 and name HN ))
OR { 269}
(( segid "PAH2" and resid 340 and name HB2 ))
(( segid "PAH2" and resid 340 and name HN ))
ASSI { 271}
(( segid "PAH2" and resid 340 and name HG2 ))
(( segid "PAH2" and resid 340 and name HN ))
4.300 2.300 1.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.73940E-03 ppm1 7.934 ppm2 1.577 CV 1
OR { 271}
(( segid "PAH2" and resid 372 and name HG ))
(( segid "PAH2" and resid 376 and name HN ))
ASSI { 272}
(( segid "PAH2" and resid 297 and name HA ))
(( segid "PAH2" and resid 298 and name HN ))
2.900 1.000 1.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.32667E-02 ppm1 8.234 ppm2 4.084 CV 1
OR { 272}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 341 and name HN ))
ASSI { 273}
(( segid "PAH2" and resid 342 and name HN ))
(( segid "PAH2" and resid 341 and name HN ))
2.300 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.78427E-02 ppm1 8.236 ppm2 7.937 CV 1
OR { 273}
(( segid "PAH2" and resid 340 and name HN ))
(( segid "PAH2" and resid 341 and name HN ))
ASSI { 280}
(( segid "PAH2" and resid 340 and name HG2 ))
(( segid "PAH2" and resid 341 and name HN ))
4.500 2.600 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.28677E-03 ppm1 8.238 ppm2 1.578 CV 1
OR { 280}
(( segid "PAH2" and resid 296 and name HB1 ))
(( segid "PAH2" and resid 298 and name HN ))
ASSI { 282}
(( segid "PAH2" and resid 343 and name HB2 ))
(( segid "PAH2" and resid 342 and name HN ))
3.900 1.900 1.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.16583E-02 ppm1 7.925 ppm2 1.912 CV 1
OR { 282}
(( segid "PAH2" and resid 340 and name HB2 ))
(( segid "PAH2" and resid 342 and name HN ))
OR { 282}
(( segid "PAH2" and resid 343 and name HB1 ))
(( segid "PAH2" and resid 342 and name HN ))
OR { 282}
(( segid "PAH2" and resid 340 and name HB1 ))
(( segid "PAH2" and resid 342 and name HN ))
ASSI { 285}
(( segid "PAH2" and resid 342 and name HA ))
(( segid "PAH2" and resid 342 and name HN ))
2.600 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.44887E-02 ppm1 7.925 ppm2 3.874 CV 1
OR { 285}
(( segid "PAH2" and resid 339 and name HA ))
(( segid "PAH2" and resid 342 and name HN ))
ASSI { 286}
(( segid "PAH2" and resid 338 and name HA ))
(( segid "PAH2" and resid 342 and name HN ))
3.500 1.600 1.600 peak 286 spectrum 1 weight 0.10000E+01 volume 0.13217E-02 ppm1 7.926 ppm2 4.075 CV 1
OR { 286}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 342 and name HN ))
OR { 286}
(( segid "PAH2" and resid 343 and name HA ))
(( segid "PAH2" and resid 342 and name HN ))
ASSI { 294}
(( segid "PAH2" and resid 343 and name HA ))
(( segid "PAH2" and resid 343 and name HN ))
2.600 0.800 0.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.50871E-02 ppm1 7.747 ppm2 4.075 CV 1
OR { 294}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 343 and name HN ))
ASSI { 295}
(( segid "PAH2" and resid 342 and name HA ))
(( segid "PAH2" and resid 343 and name HN ))
3.200 1.300 1.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.18329E-02 ppm1 7.747 ppm2 3.873 CV 1
OR { 295}
(( segid "PAH2" and resid 339 and name HA ))
(( segid "PAH2" and resid 343 and name HN ))
ASSI { 297}
(( segid "PAH2" and resid 341 and name HB2 ))
(( segid "PAH2" and resid 343 and name HN ))
5.300 3.400 0.700 peak 297 spectrum 1 weight 0.10000E+01 volume 0.31296E-03 ppm1 7.753 ppm2 2.369 CV 1
OR { 297}
(( segid "PAH2" and resid 344 and name HG1 ))
(( segid "PAH2" and resid 343 and name HN ))
ASSI { 302}
(( segid "PAH2" and resid 344 and name HA ))
(( segid "PAH2" and resid 344 and name HN ))
2.500 0.800 0.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.64710E-02 ppm1 8.001 ppm2 4.111 CV 1
OR { 302}
(( segid "PAH2" and resid 343 and name HA ))
(( segid "PAH2" and resid 344 and name HN ))
ASSI { 305}
(( segid "PAH2" and resid 344 and name HB2 ))
(( segid "PAH2" and resid 344 and name HN ))
2.200 0.600 0.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.13217E-01 ppm1 8.001 ppm2 1.932 CV 1
OR { 305}
(( segid "PAH2" and resid 343 and name HB1 ))
(( segid "PAH2" and resid 344 and name HN ))
ASSI { 308}
( segid "PAH2" and resid 345 and name HB% )
(( segid "PAH2" and resid 344 and name HN ))
4.000 2.000 2.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.11571E-02 ppm1 8.001 ppm2 1.429 CV 1
OR { 308}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 344 and name HN ))
ASSI { 309}
(( segid "PAH2" and resid 344 and name HB2 ))
(( segid "PAH2" and resid 345 and name HN ))
3.200 1.300 1.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.43141E-02 ppm1 7.770 ppm2 1.949 CV 1
OR { 309}
(( segid "PAH2" and resid 343 and name HB1 ))
(( segid "PAH2" and resid 345 and name HN ))
ASSI { 313}
(( segid "PAH2" and resid 323 and name HB1 ))
(( segid "PAH2" and resid 327 and name HN ))
4.000 2.000 2.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.60471E-03 ppm1 7.772 ppm2 2.717 CV 1
OR { 313}
(( segid "PAH2" and resid 341 and name HB1 ))
(( segid "PAH2" and resid 345 and name HN ))
ASSI { 315}
(( segid "PAH2" and resid 342 and name HA ))
(( segid "PAH2" and resid 345 and name HN ))
3.600 1.600 1.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.93885E-03 ppm1 7.769 ppm2 3.876 CV 1
OR { 315}
(( segid "PAH2" and resid 328 and name HA ))
(( segid "PAH2" and resid 327 and name HN ))
ASSI { 316}
(( segid "PAH2" and resid 327 and name HA ))
(( segid "PAH2" and resid 327 and name HN ))
2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.47006E-02 ppm1 7.769 ppm2 4.119 CV 1
OR { 316}
(( segid "PAH2" and resid 344 and name HA ))
(( segid "PAH2" and resid 345 and name HN ))
ASSI { 319}
(( segid "PAH2" and resid 344 and name HN ))
(( segid "PAH2" and resid 345 and name HN ))
2.000 0.500 0.500 peak 319 spectrum 1 weight 0.10000E+01 volume 0.17830E-01 ppm1 7.770 ppm2 8.012 CV 1
OR { 319}
(( segid "PAH2" and resid 346 and name HN ))
(( segid "PAH2" and resid 345 and name HN ))
OR { 319}
(( segid "PAH2" and resid 328 and name HN ))
(( segid "PAH2" and resid 327 and name HN ))
ASSI { 329}
(( segid "PAH2" and resid 347 and name HA1 ))
(( segid "PAH2" and resid 347 and name HN ))
2.500 0.800 0.800 peak 329 spectrum 1 weight 0.10000E+01 volume 0.87651E-02 ppm1 8.263 ppm2 4.043 CV 1
OR { 329}
(( segid "PAH2" and resid 346 and name HA1 ))
(( segid "PAH2" and resid 347 and name HN ))
ASSI { 334}
(( segid "PAH2" and resid 347 and name HA1 ))
(( segid "PAH2" and resid 348 and name HN ))
2.600 0.900 0.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.60847E-02 ppm1 8.089 ppm2 4.051 CV 1
OR { 334}
(( segid "PAH2" and resid 335 and name HA ))
(( segid "PAH2" and resid 338 and name HN ))
ASSI { 335}
(( segid "PAH2" and resid 347 and name HA2 ))
(( segid "PAH2" and resid 348 and name HN ))
2.600 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.75310E-02 ppm1 8.084 ppm2 3.866 CV 1
OR { 335}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 338 and name HN ))
OR { 335}
(( segid "PAH2" and resid 302 and name HA ))
(( segid "PAH2" and resid 306 and name HN ))
ASSI { 336}
(( segid "PAH2" and resid 348 and name HB1 ))
(( segid "PAH2" and resid 348 and name HN ))
2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.43266E-02 ppm1 8.089 ppm2 2.859 CV 1
OR { 336}
(( segid "PAH2" and resid 309 and name HB2 ))
(( segid "PAH2" and resid 308 and name HN ))
ASSI { 337}
(( segid "PAH2" and resid 348 and name HB2 ))
(( segid "PAH2" and resid 348 and name HN ))
2.700 0.900 0.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.44762E-02 ppm1 8.089 ppm2 2.740 CV 1
OR { 337}
(( segid "PAH2" and resid 349 and name HB2 ))
(( segid "PAH2" and resid 348 and name HN ))
ASSI { 338}
(( segid "PAH2" and resid 349 and name HB2 ))
(( segid "PAH2" and resid 349 and name HN ))
2.500 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.75686E-02 ppm1 7.896 ppm2 2.746 CV 1
OR { 338}
(( segid "PAH2" and resid 348 and name HB2 ))
(( segid "PAH2" and resid 349 and name HN ))
ASSI { 340}
(( segid "PAH2" and resid 347 and name HA2 ))
(( segid "PAH2" and resid 349 and name HN ))
4.100 2.200 1.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.49749E-03 ppm1 7.897 ppm2 3.866 CV 1
OR { 340}
(( segid "PAH2" and resid 342 and name HA ))
(( segid "PAH2" and resid 349 and name HN ))
ASSI { 374}
(( segid "PAH2" and resid 357 and name HN ))
(( segid "PAH2" and resid 354 and name HN ))
4.100 2.200 1.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.45759E-03 ppm1 8.091 ppm2 7.680 CV 1
OR { 374}
(( segid "PAH2" and resid 353 and name HN ))
(( segid "PAH2" and resid 354 and name HN ))
ASSI { 388}
(( segid "PAH2" and resid 356 and name HN ))
(( segid "PAH2" and resid 357 and name HN ))
2.400 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.65959E-02 ppm1 7.700 ppm2 8.317 CV 1
OR { 388}
(( segid "PAH2" and resid 384 and name HN ))
(( segid "PAH2" and resid 385 and name HN ))
ASSI { 392}
(( segid "PAH2" and resid 357 and name HB2 ))
(( segid "PAH2" and resid 357 and name HN ))
2.400 0.700 0.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.67579E-02 ppm1 7.700 ppm2 2.088 CV 1
OR { 392}
(( segid "PAH2" and resid 356 and name HB2 ))
(( segid "PAH2" and resid 357 and name HN ))
ASSI { 401}
(( segid "PAH2" and resid 330 and name HA ))
(( segid "PAH2" and resid 330 and name HN ))
2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.31171E-02 ppm1 8.180 ppm2 4.077 CV 1
OR { 401}
(( segid "PAH2" and resid 327 and name HA ))
(( segid "PAH2" and resid 330 and name HN ))
ASSI { 417}
(( segid "PAH2" and resid 312 and name HB2 ))
(( segid "PAH2" and resid 312 and name HN ))
2.500 0.800 0.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.47754E-02 ppm1 8.090 ppm2 2.685 CV 1
OR { 417}
(( segid "PAH2" and resid 361 and name HG1 ))
(( segid "PAH2" and resid 361 and name HN ))
ASSI { 421}
( segid "PAH2" and resid 308 and name HG2%)
(( segid "PAH2" and resid 312 and name HN ))
4.300 2.300 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.47131E-03 ppm1 8.095 ppm2 0.815 CV 1
OR { 421}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 361 and name HN ))
OR { 421}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 361 and name HN ))
ASSI { 423}
(( segid "PAH2" and resid 359 and name HA ))
(( segid "PAH2" and resid 362 and name HN ))
4.100 2.100 1.900 peak 423 spectrum 1 weight 0.10000E+01 volume 0.40024E-03 ppm1 8.347 ppm2 3.805 CV 1
OR { 423}
(( segid "PAH2" and resid 363 and name HA ))
(( segid "PAH2" and resid 362 and name HN ))
ASSI { 429}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 362 and name HN ))
4.100 2.100 1.900 peak 429 spectrum 1 weight 0.10000E+01 volume 0.46133E-03 ppm1 8.346 ppm2 0.812 CV 1
OR { 429}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 362 and name HN ))
ASSI { 434}
( segid "PAH2" and resid 373 and name HD2%)
(( segid "PAH2" and resid 363 and name HN ))
3.600 1.600 1.600 peak 434 spectrum 1 weight 0.10000E+01 volume 0.50123E-03 ppm1 8.709 ppm2 0.825 CV 1
OR { 434}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 363 and name HN ))
OR { 434}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 363 and name HN ))
ASSI { 439}
(( segid "PAH2" and resid 360 and name HA ))
(( segid "PAH2" and resid 363 and name HN ))
3.600 1.600 1.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.10099E-02 ppm1 8.709 ppm2 4.002 CV 1
OR { 439}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 363 and name HN ))
ASSI { 480}
(( segid "PAH2" and resid 367 and name HA ))
(( segid "PAH2" and resid 369 and name HN ))
3.700 1.700 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.10448E-02 ppm1 8.084 ppm2 4.015 CV 1
OR { 480}
(( segid "PAH2" and resid 370 and name HA ))
(( segid "PAH2" and resid 369 and name HN ))
ASSI { 505}
(( segid "PAH2" and resid 370 and name HB1 ))
(( segid "PAH2" and resid 372 and name HN ))
3.900 1.900 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.14713E-02 ppm1 7.741 ppm2 2.118 CV 1
OR { 505}
(( segid "PAH2" and resid 373 and name HB1 ))
(( segid "PAH2" and resid 372 and name HN ))
OR { 505}
(( segid "PAH2" and resid 370 and name HB2 ))
(( segid "PAH2" and resid 372 and name HN ))
ASSI { 507}
(( segid "PAH2" and resid 372 and name HA ))
(( segid "PAH2" and resid 372 and name HN ))
2.600 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.53365E-02 ppm1 7.743 ppm2 4.361 CV 1
OR { 507}
(( segid "PAH2" and resid 345 and name HA ))
(( segid "PAH2" and resid 345 and name HN ))
ASSI { 509}
(( segid "PAH2" and resid 372 and name HB2 ))
(( segid "PAH2" and resid 373 and name HN ))
3.700 1.700 1.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.17581E-02 ppm1 8.184 ppm2 0.942 CV 1
OR { 509}
( segid "PAH2" and resid 373 and name HD1%)
(( segid "PAH2" and resid 373 and name HN ))
ASSI { 514}
(( segid "PAH2" and resid 334 and name HB ))
(( segid "PAH2" and resid 335 and name HN ))
2.700 0.900 0.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.32293E-02 ppm1 8.186 ppm2 4.405 CV 1
OR { 514}
(( segid "PAH2" and resid 373 and name HA ))
(( segid "PAH2" and resid 373 and name HN ))
ASSI { 520}
(( segid "PAH2" and resid 373 and name HB1 ))
(( segid "PAH2" and resid 374 and name HN ))
3.100 1.200 1.200 peak 520 spectrum 1 weight 0.10000E+01 volume 0.20697E-02 ppm1 8.625 ppm2 2.123 CV 1
OR { 520}
(( segid "PAH2" and resid 375 and name HB1 ))
(( segid "PAH2" and resid 374 and name HN ))
ASSI { 524}
(( segid "PAH2" and resid 376 and name HB1 ))
(( segid "PAH2" and resid 376 and name HN ))
2.300 0.700 0.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.84788E-02 ppm1 7.945 ppm2 4.069 CV 1
OR { 524}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 340 and name HN ))
ASSI { 526}
(( segid "PAH2" and resid 372 and name HA ))
(( segid "PAH2" and resid 376 and name HN ))
3.600 1.700 1.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.87402E-03 ppm1 7.942 ppm2 4.396 CV 1
OR { 526}
(( segid "PAH2" and resid 371 and name HA ))
(( segid "PAH2" and resid 376 and name HN ))
ASSI { 589}
(( segid "PAH2" and resid 337 and name HG2 ))
(( segid "PAH2" and resid 338 and name HN ))
3.600 1.600 1.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.12157E-02 ppm1 8.088 ppm2 1.387 CV 1
OR { 589}
( segid "PAH2" and resid 307 and name HB% )
(( segid "PAH2" and resid 306 and name HN ))
ASSI { 591}
(( segid "PAH2" and resid 305 and name HA ))
(( segid "PAH2" and resid 306 and name HN ))
3.700 1.700 1.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.88027E-03 ppm1 8.103 ppm2 4.342 CV 1
OR { 591}
(( segid "PAH2" and resid 304 and name HA ))
(( segid "PAH2" and resid 306 and name HN ))
ASSI { 593}
(( segid "PAH2" and resid 308 and name HG12))
(( segid "PAH2" and resid 308 and name HN ))
2.500 0.800 0.800 peak 593 spectrum 1 weight 0.10000E+01 volume 0.36034E-02 ppm1 8.061 ppm2 0.783 CV 1
OR { 593}
( segid "PAH2" and resid 308 and name HG2%)
(( segid "PAH2" and resid 309 and name HN ))
OR { 593}
( segid "PAH2" and resid 308 and name HG2%)
(( segid "PAH2" and resid 308 and name HN ))
ASSI { 594}
(( segid "PAH2" and resid 308 and name HA ))
(( segid "PAH2" and resid 308 and name HN ))
3.300 1.300 1.300 peak 594 spectrum 1 weight 0.10000E+01 volume 0.10648E-02 ppm1 8.062 ppm2 3.425 CV 1
OR { 594}
(( segid "PAH2" and resid 308 and name HA ))
(( segid "PAH2" and resid 309 and name HN ))
ASSI { 596}
(( segid "PAH2" and resid 310 and name HA ))
(( segid "PAH2" and resid 310 and name HN ))
3.300 1.400 1.400 peak 596 spectrum 1 weight 0.10000E+01 volume 0.11758E-02 ppm1 8.542 ppm2 4.398 CV 1
OR { 596}
(( segid "PAH2" and resid 309 and name HA ))
(( segid "PAH2" and resid 310 and name HN ))
ASSI { 597}
(( segid "PAH2" and resid 310 and name HA ))
(( segid "PAH2" and resid 311 and name HN ))
5.100 3.200 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.11446E-03 ppm1 8.368 ppm2 4.403 CV 1
OR { 597}
(( segid "PAH2" and resid 309 and name HA ))
(( segid "PAH2" and resid 311 and name HN ))
ASSI { 604}
(( segid "PAH2" and resid 314 and name HA ))
(( segid "PAH2" and resid 317 and name HN ))
3.700 1.700 1.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.81920E-03 ppm1 8.209 ppm2 3.126 CV 1
OR { 604}
(( segid "PAH2" and resid 317 and name HD1 ))
(( segid "PAH2" and resid 317 and name HN ))
ASSI { 619}
(( segid "PAH2" and resid 338 and name HA ))
(( segid "PAH2" and resid 338 and name HN ))
2.600 0.800 0.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.55858E-02 ppm1 8.097 ppm2 4.079 CV 1
OR { 619}
(( segid "PAH2" and resid 347 and name HA1 ))
(( segid "PAH2" and resid 348 and name HN ))
ASSI { 622}
(( segid "PAH2" and resid 339 and name HA ))
(( segid "PAH2" and resid 340 and name HN ))
3.100 1.200 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.25560E-02 ppm1 7.933 ppm2 3.881 CV 1
OR { 622}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 340 and name HN ))
OR { 622}
(( segid "PAH2" and resid 377 and name HA2 ))
(( segid "PAH2" and resid 376 and name HN ))
ASSI { 626}
(( segid "PAH2" and resid 343 and name HN ))
(( segid "PAH2" and resid 344 and name HN ))
2.300 0.700 0.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.71569E-02 ppm1 8.000 ppm2 7.759 CV 1
OR { 626}
(( segid "PAH2" and resid 345 and name HN ))
(( segid "PAH2" and resid 344 and name HN ))
ASSI { 632}
(( segid "PAH2" and resid 349 and name HA ))
(( segid "PAH2" and resid 350 and name HN ))
2.000 0.500 0.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.20199E-01 ppm1 7.967 ppm2 4.493 CV 1
OR { 632}
(( segid "PAH2" and resid 350 and name HA ))
(( segid "PAH2" and resid 350 and name HN ))
ASSI { 644}
(( segid "PAH2" and resid 365 and name HA ))
(( segid "PAH2" and resid 365 and name HN ))
2.800 1.000 1.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.31919E-02 ppm1 7.424 ppm2 4.011 CV 1
OR { 644}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 365 and name HN ))
ASSI { 648}
(( segid "PAH2" and resid 369 and name HA ))
(( segid "PAH2" and resid 369 and name HN ))
2.900 1.000 1.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.28179E-02 ppm1 8.085 ppm2 4.803 CV 1
OR { 648}
(( segid "PAH2" and resid 368 and name HA ))
(( segid "PAH2" and resid 369 and name HN ))
ASSI { 652}
(( segid "PAH2" and resid 374 and name HN ))
(( segid "PAH2" and resid 373 and name HN ))
2.500 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.43141E-02 ppm1 8.184 ppm2 8.633 CV 1
OR { 652}
(( segid "PAH2" and resid 334 and name HN ))
(( segid "PAH2" and resid 335 and name HN ))
ASSI { 654}
(( segid "PAH2" and resid 377 and name HA1 ))
(( segid "PAH2" and resid 377 and name HN ))
2.300 0.700 0.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.60471E-02 ppm1 7.824 ppm2 4.080 CV 1
OR { 654}
(( segid "PAH2" and resid 376 and name HB1 ))
(( segid "PAH2" and resid 377 and name HN ))
ASSI { 661}
(( segid "PAH2" and resid 357 and name HA ))
(( segid "PAH2" and resid 357 and name HN ))
2.800 1.000 1.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.33291E-02 ppm1 7.697 ppm2 4.202 CV 1
OR { 661}
(( segid "PAH2" and resid 385 and name HA ))
(( segid "PAH2" and resid 385 and name HN ))
ASSI { 665}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 350 and name HN ))
3.900 1.900 1.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.11733E-02 ppm1 7.961 ppm2 1.411 CV 1
OR { 665}
( segid "PAH2" and resid 345 and name HB% )
(( segid "PAH2" and resid 350 and name HN ))
ASSI { 681}
( segid "PAH2" and resid 365 and name HD2%)
(( segid "PAH2" and resid 327 and name HN ))
3.300 1.300 1.300 peak 681 spectrum 1 weight 0.10000E+01 volume 0.50123E-03 ppm1 7.808 ppm2 0.743 CV 1
OR { 681}
( segid "PAH2" and resid 331 and name HD1%)
(( segid "PAH2" and resid 327 and name HN ))
OR { 681}
( segid "PAH2" and resid 324 and name HD1%)
(( segid "PAH2" and resid 327 and name HN ))
ASSI { 685}
(( segid "PAH2" and resid 311 and name HA ))
(( segid "PAH2" and resid 311 and name HN ))
3.000 1.100 1.100 peak 685 spectrum 1 weight 0.10000E+01 volume 0.16084E-02 ppm1 8.360 ppm2 3.400 CV 1
OR { 685}
(( segid "PAH2" and resid 308 and name HA ))
(( segid "PAH2" and resid 311 and name HN ))
ASSI { 693}
(( segid "PAH2" and resid 332 and name HA ))
(( segid "PAH2" and resid 336 and name HN ))
3.800 1.800 1.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.98748E-03 ppm1 8.442 ppm2 3.907 CV 1
OR { 693}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 336 and name HN ))
ASSI { 24}
(( segid "PF1 " and resid 211 and name HA ))
(( segid "PF1 " and resid 212 and name HN ))
3.400 1.500 1.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.74611E-03 ppm1 7.843 ppm2 3.892 CV 1
OR { 24}
(( segid "PF1 " and resid 211 and name HA ))
(( segid "PF1 " and resid 215 and name HN ))
ASSI { 32}
(( segid "PF1 " and resid 234 and name HN ))
(( segid "PF1 " and resid 235 and name HN ))
3.200 1.300 1.300 peak 32 spectrum 1 weight 0.10000E+01 volume 0.90438E-03 ppm1 8.074 ppm2 8.329 CV 1
OR { 32}
(( segid "PF1 " and resid 233 and name HN ))
(( segid "PF1 " and resid 235 and name HN ))
ASSI { 41}
(( segid "PF1 " and resid 201 and name HA ))
(( segid "PF1 " and resid 201 and name HN ))
2.400 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.48854E-02 ppm1 7.916 ppm2 4.512 CV 1
OR { 41}
(( segid "PF1 " and resid 200 and name HA ))
(( segid "PF1 " and resid 201 and name HN ))
ASSI { 50}
(( segid "PF1 " and resid 203 and name HB2 ))
(( segid "PF1 " and resid 203 and name HN ))
2.600 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.41505E-02 ppm1 8.349 ppm2 1.932 CV 1
OR { 50}
(( segid "PF1 " and resid 202 and name HB ))
(( segid "PF1 " and resid 203 and name HN ))
ASSI { 57}
(( segid "PF1 " and resid 205 and name HB1 ))
(( segid "PF1 " and resid 205 and name HN ))
2.700 0.900 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.47239E-02 ppm1 8.505 ppm2 2.068 CV 1
OR { 57}
(( segid "PF1 " and resid 204 and name HG2 ))
(( segid "PF1 " and resid 205 and name HN ))
ASSI { 60}
(( segid "PF1 " and resid 236 and name HA ))
(( segid "PF1 " and resid 237 and name HN ))
2.100 0.500 0.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.12678E-01 ppm1 8.244 ppm2 4.297 CV 1
OR { 60}
(( segid "PF1 " and resid 205 and name HA ))
(( segid "PF1 " and resid 206 and name HN ))
ASSI { 61}
(( segid "PF1 " and resid 205 and name HB1 ))
(( segid "PF1 " and resid 206 and name HN ))
3.400 1.500 1.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.92861E-03 ppm1 8.243 ppm2 2.061 CV 1
OR { 61}
(( segid "PF1 " and resid 238 and name HG1 ))
(( segid "PF1 " and resid 237 and name HN ))
OR { 61}
(( segid "PF1 " and resid 238 and name HG2 ))
(( segid "PF1 " and resid 237 and name HN ))
ASSI { 65}
(( segid "PF1 " and resid 206 and name HB1 ))
(( segid "PF1 " and resid 206 and name HN ))
2.300 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.79376E-02 ppm1 8.244 ppm2 1.669 CV 1
OR { 65}
(( segid "PF1 " and resid 237 and name HB1 ))
(( segid "PF1 " and resid 237 and name HN ))
OR { 65}
(( segid "PF1 " and resid 237 and name HG ))
(( segid "PF1 " and resid 237 and name HN ))
ASSI { 66}
(( segid "PF1 " and resid 237 and name HB2 ))
(( segid "PF1 " and resid 237 and name HN ))
2.200 0.600 0.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.93671E-02 ppm1 8.242 ppm2 1.561 CV 1
OR { 66}
(( segid "PF1 " and resid 206 and name HB2 ))
(( segid "PF1 " and resid 206 and name HN ))
ASSI { 67}
( segid "PF1 " and resid 206 and name HD1%)
(( segid "PF1 " and resid 206 and name HN ))
3.400 1.400 1.400 peak 67 spectrum 1 weight 0.10000E+01 volume 0.11870E-02 ppm1 8.242 ppm2 0.884 CV 1
OR { 67}
( segid "PF1 " and resid 237 and name HD2%)
(( segid "PF1 " and resid 237 and name HN ))
OR { 67}
( segid "PF1 " and resid 206 and name HD2%)
(( segid "PF1 " and resid 206 and name HN ))
ASSI { 72}
(( segid "PF1 " and resid 211 and name HG1 ))
(( segid "PF1 " and resid 208 and name HN ))
3.200 3.200 2.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.91248E-03 ppm1 8.742 ppm2 2.376 CV 1
OR { 72}
(( segid "PF1 " and resid 209 and name HB1 ))
(( segid "PF1 " and resid 208 and name HN ))
OR { 72}
(( segid "PF1 " and resid 211 and name HG2 ))
(( segid "PF1 " and resid 208 and name HN ))
ASSI { 77}
(( segid "PF1 " and resid 208 and name HG2 ))
(( segid "PF1 " and resid 208 and name HN ))
2.400 0.700 0.700 peak 77 spectrum 1 weight 0.10000E+01 volume 0.63791E-02 ppm1 8.741 ppm2 1.836 CV 1
OR { 77}
(( segid "PF1 " and resid 208 and name HG1 ))
(( segid "PF1 " and resid 208 and name HN ))
OR { 77}
(( segid "PF1 " and resid 207 and name HB1 ))
(( segid "PF1 " and resid 208 and name HN ))
ASSI { 87}
(( segid "PF1 " and resid 211 and name HG2 ))
(( segid "PF1 " and resid 212 and name HN ))
3.900 1.900 1.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.48854E-03 ppm1 7.851 ppm2 2.365 CV 1
OR { 87}
(( segid "PF1 " and resid 211 and name HG1 ))
(( segid "PF1 " and resid 212 and name HN ))
OR { 87}
(( segid "PF1 " and resid 211 and name HG1 ))
(( segid "PF1 " and resid 215 and name HN ))
ASSI { 93}
(( segid "PF1 " and resid 214 and name HA ))
(( segid "PF1 " and resid 214 and name HN ))
3.900 1.900 1.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.27455E-03 ppm1 7.702 ppm2 3.848 CV 1
OR { 93}
(( segid "PF1 " and resid 213 and name HA ))
(( segid "PF1 " and resid 214 and name HN ))
ASSI { 96}
( segid "PF1 " and resid 214 and name HG2%)
(( segid "PF1 " and resid 214 and name HN ))
4.300 2.300 1.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.41183E-03 ppm1 7.702 ppm2 0.790 CV 1
OR { 96}
( segid "PF1 " and resid 213 and name HD1%)
(( segid "PF1 " and resid 214 and name HN ))
ASSI { 99}
( segid "PF1 " and resid 213 and name HD1%)
(( segid "PF1 " and resid 212 and name HN ))
3.900 1.900 1.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.52003E-03 ppm1 7.840 ppm2 0.756 CV 1
OR { 99}
( segid "PF1 " and resid 213 and name HD1%)
(( segid "PF1 " and resid 215 and name HN ))
ASSI { 106}
(( segid "PF1 " and resid 213 and name HA ))
(( segid "PF1 " and resid 216 and name HN ))
3.900 1.900 1.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.31331E-03 ppm1 8.376 ppm2 3.841 CV 1
OR { 106}
(( segid "PF1 " and resid 214 and name HA ))
(( segid "PF1 " and resid 216 and name HN ))
ASSI { 108}
(( segid "PF1 " and resid 216 and name HA ))
(( segid "PF1 " and resid 216 and name HN ))
2.900 1.000 1.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.18330E-02 ppm1 8.373 ppm2 3.993 CV 1
OR { 108}
(( segid "PF1 " and resid 215 and name HA ))
(( segid "PF1 " and resid 216 and name HN ))
ASSI { 112}
( segid "PF1 " and resid 214 and name HG2%)
(( segid "PF1 " and resid 217 and name HN ))
4.600 2.600 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.13162E-03 ppm1 8.326 ppm2 0.763 CV 1
OR { 112}
( segid "PF1 " and resid 213 and name HD1%)
(( segid "PF1 " and resid 217 and name HN ))
ASSI { 119}
(( segid "PF1 " and resid 218 and name HA ))
(( segid "PF1 " and resid 218 and name HN ))
2.600 0.800 0.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.31654E-02 ppm1 8.090 ppm2 4.060 CV 1
OR { 119}
(( segid "PF1 " and resid 215 and name HA ))
(( segid "PF1 " and resid 218 and name HN ))
ASSI { 125}
(( segid "PF1 " and resid 218 and name HA ))
(( segid "PF1 " and resid 219 and name HN ))
2.800 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.25032E-02 ppm1 7.761 ppm2 4.042 CV 1
OR { 125}
(( segid "PF1 " and resid 215 and name HA ))
(( segid "PF1 " and resid 219 and name HN ))
ASSI { 129}
(( segid "PF1 " and resid 218 and name HB1 ))
(( segid "PF1 " and resid 219 and name HN ))
3.000 1.100 1.100 peak 129 spectrum 1 weight 0.10000E+01 volume 0.22125E-02 ppm1 7.761 ppm2 2.329 CV 1
OR { 129}
(( segid "PF1 " and resid 219 and name HG1 ))
(( segid "PF1 " and resid 219 and name HN ))
OR { 129}
(( segid "PF1 " and resid 219 and name HG2 ))
(( segid "PF1 " and resid 219 and name HN ))
ASSI { 159}
(( segid "PF1 " and resid 225 and name HB2 ))
(( segid "PF1 " and resid 224 and name HN ))
3.800 1.800 1.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.52083E-03 ppm1 7.934 ppm2 2.856 CV 1
OR { 159}
(( segid "PF1 " and resid 221 and name HB1 ))
(( segid "PF1 " and resid 224 and name HN ))
ASSI { 173}
(( segid "PF1 " and resid 226 and name HA ))
(( segid "PF1 " and resid 226 and name HN ))
2.400 0.700 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.60564E-02 ppm1 7.933 ppm2 4.312 CV 1
OR { 173}
(( segid "PF1 " and resid 225 and name HA ))
(( segid "PF1 " and resid 226 and name HN ))
ASSI { 178}
(( segid "PF1 " and resid 226 and name HB2 ))
(( segid "PF1 " and resid 227 and name HN ))
3.300 1.400 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.18976E-02 ppm1 8.355 ppm2 1.994 CV 1
OR { 178}
(( segid "PF1 " and resid 228 and name HG1 ))
(( segid "PF1 " and resid 227 and name HN ))
ASSI { 186}
(( segid "PF1 " and resid 228 and name HG2 ))
(( segid "PF1 " and resid 229 and name HN ))
3.400 1.500 1.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.54829E-03 ppm1 8.454 ppm2 2.040 CV 1
OR { 186}
(( segid "PF1 " and resid 228 and name HG1 ))
(( segid "PF1 " and resid 229 and name HN ))
OR { 186}
(( segid "PF1 " and resid 230 and name HB1 ))
(( segid "PF1 " and resid 229 and name HN ))
ASSI { 187}
(( segid "PF1 " and resid 231 and name HB2 ))
(( segid "PF1 " and resid 229 and name HN ))
4.000 2.000 2.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.30765E-03 ppm1 8.453 ppm2 1.588 CV 1
OR { 187}
(( segid "PF1 " and resid 227 and name HB2 ))
(( segid "PF1 " and resid 229 and name HN ))
ASSI { 204}
(( segid "PF1 " and resid 232 and name HA ))
(( segid "PF1 " and resid 232 and name HN ))
2.500 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.41021E-02 ppm1 8.042 ppm2 4.381 CV 1
OR { 204}
(( segid "PF1 " and resid 231 and name HA ))
(( segid "PF1 " and resid 232 and name HN ))
ASSI { 209}
(( segid "PF1 " and resid 232 and name HB ))
(( segid "PF1 " and resid 233 and name HN ))
3.500 1.500 1.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.76311E-03 ppm1 8.334 ppm2 4.207 CV 1
OR { 209}
(( segid "PF1 " and resid 234 and name HB ))
(( segid "PF1 " and resid 233 and name HN ))
ASSI { 211}
( segid "PF1 " and resid 234 and name HG2%)
(( segid "PF1 " and resid 233 and name HN ))
4.800 2.800 1.200 peak 211 spectrum 1 weight 0.10000E+01 volume 0.17846E-03 ppm1 8.336 ppm2 1.185 CV 1
OR { 211}
( segid "PF1 " and resid 232 and name HG2%)
(( segid "PF1 " and resid 233 and name HN ))
ASSI { 219}
(( segid "PF1 " and resid 232 and name HA ))
(( segid "PF1 " and resid 235 and name HN ))
2.900 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.25194E-02 ppm1 8.079 ppm2 4.408 CV 1
OR { 219}
(( segid "PF1 " and resid 231 and name HA ))
(( segid "PF1 " and resid 235 and name HN ))
ASSI { 220}
(( segid "PF1 " and resid 235 and name HB ))
(( segid "PF1 " and resid 235 and name HN ))
3.100 1.200 1.200 peak 220 spectrum 1 weight 0.10000E+01 volume 0.14777E-02 ppm1 8.078 ppm2 4.242 CV 1
OR { 220}
(( segid "PF1 " and resid 234 and name HB ))
(( segid "PF1 " and resid 235 and name HN ))
ASSI { 221}
( segid "PF1 " and resid 235 and name HG2%)
(( segid "PF1 " and resid 235 and name HN ))
4.000 2.000 2.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.32138E-03 ppm1 8.080 ppm2 1.189 CV 1
OR { 221}
( segid "PF1 " and resid 234 and name HG2%)
(( segid "PF1 " and resid 235 and name HN ))
ASSI { 223}
(( segid "PF1 " and resid 235 and name HA ))
(( segid "PF1 " and resid 236 and name HN ))
2.600 0.800 0.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.37225E-02 ppm1 8.236 ppm2 4.316 CV 1
OR { 223}
(( segid "PF1 " and resid 236 and name HA ))
(( segid "PF1 " and resid 236 and name HN ))
ASSI { 228}
( segid "PF1 " and resid 237 and name HD1%)
(( segid "PF1 " and resid 237 and name HN ))
3.900 1.900 1.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.50549E-03 ppm1 8.247 ppm2 0.896 CV 1
OR { 228}
( segid "PF1 " and resid 237 and name HD2%)
(( segid "PF1 " and resid 237 and name HN ))
OR { 228}
( segid "PF1 " and resid 206 and name HD2%)
(( segid "PF1 " and resid 206 and name HN ))
ASSI { 232}
(( segid "PF1 " and resid 239 and name HA2 ))
(( segid "PF1 " and resid 240 and name HN ))
2.800 1.000 1.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.25194E-02 ppm1 8.120 ppm2 3.999 CV 1
OR { 232}
(( segid "PF1 " and resid 239 and name HA1 ))
(( segid "PF1 " and resid 240 and name HN ))
OR { 232}
(( segid "PF1 " and resid 217 and name HA ))
(( segid "PF1 " and resid 218 and name HN ))
ASSI { 247}
(( segid "PF1 " and resid 217 and name HN ))
(( segid "PF1 " and resid 219 and name HN ))
4.100 2.100 1.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.26163E-03 ppm1 7.760 ppm2 8.360 CV 1
OR { 247}
(( segid "PF1 " and resid 216 and name HN ))
(( segid "PF1 " and resid 219 and name HN ))
ASSI { 249}
(( segid "PF1 " and resid 218 and name HB1 ))
(( segid "PF1 " and resid 221 and name HN ))
5.100 3.300 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.92057E-04 ppm1 8.168 ppm2 2.347 CV 1
OR { 249}
(( segid "PF1 " and resid 219 and name HG1 ))
(( segid "PF1 " and resid 221 and name HN ))
OR { 249}
(( segid "PF1 " and resid 219 and name HG2 ))
(( segid "PF1 " and resid 221 and name HN ))
ASSI { 257}
(( segid "PF1 " and resid 198 and name HB2 ))
(( segid "PF1 " and resid 198 and name HD22))
4.900 3.000 1.100 peak 257 spectrum 1 weight 0.10000E+01 volume 0.15665E-03 ppm1 6.893 ppm2 2.781 CV 1
OR { 257}
(( segid "PF1 " and resid 221 and name HB2 ))
(( segid "PF1 " and resid 221 and name HD22))
ASSI { 262}
(( segid "PF1 " and resid 198 and name HD22))
(( segid "PF1 " and resid 198 and name HD21))
1.500 0.300 0.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.59997E-01 ppm1 7.586 ppm2 6.904 CV 1
OR { 262}
(( segid "PF1 " and resid 203 and name HE22))
(( segid "PF1 " and resid 203 and name HE21))
ASSI { 270}
(( segid "PF1 " and resid 229 and name HB2 ))
(( segid "PF1 " and resid 229 and name HD21))
2.900 1.000 1.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.15665E-02 ppm1 7.832 ppm2 2.811 CV 1
OR { 270}
(( segid "PF1 " and resid 229 and name HB1 ))
(( segid "PF1 " and resid 229 and name HD21))
OR { 270}
(( segid "PF1 " and resid 221 and name HB1 ))
(( segid "PF1 " and resid 221 and name HD21))
ASSI { 271}
(( segid "PF1 " and resid 229 and name HB2 ))
(( segid "PF1 " and resid 229 and name HD21))
3.000 1.100 1.100 peak 271 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 7.832 ppm2 2.787 CV 1
OR { 271}
(( segid "PF1 " and resid 229 and name HB1 ))
(( segid "PF1 " and resid 229 and name HD21))
OR { 271}
(( segid "PF1 " and resid 221 and name HB2 ))
(( segid "PF1 " and resid 221 and name HD21))
ASSI { 272}
(( segid "PF1 " and resid 221 and name HD22))
(( segid "PF1 " and resid 221 and name HD21))
2.000 0.500 0.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.96898E-02 ppm1 7.836 ppm2 6.869 CV 1
OR { 272}
(( segid "PF1 " and resid 229 and name HD22))
(( segid "PF1 " and resid 229 and name HD21))
ASSI { 279}
(( segid "PF1 " and resid 226 and name HE22))
(( segid "PF1 " and resid 226 and name HE21))
1.600 0.300 0.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.31492E-01 ppm1 7.463 ppm2 6.811 CV 1
OR { 279}
(( segid "PF1 " and resid 224 and name HE22))
(( segid "PF1 " and resid 224 and name HE21))
ASSI { 2}
( segid "PAH2" and resid 304 and name HD% )
(( segid "PAH2" and resid 308 and name HG11))
3.900 1.900 1.900 peak 2 spectrum 1 weight 0.10000E+01 volume 0.30255E-03 ppm1 7.186 ppm2 1.227 CV 1
OR { 2}
( segid "PAH2" and resid 376 and name HE% )
(( segid "PAH2" and resid 380 and name HG ))
ASSI { 7}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 314 and name HB ))
3.800 1.800 1.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.36781E-03 ppm1 7.051 ppm2 1.841 CV 1
OR { 7}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 326 and name HB2 ))
ASSI { 9}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 358 and name HG1%)
4.000 2.000 2.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.33617E-03 ppm1 7.048 ppm2 0.968 CV 1
OR { 9}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 380 and name HB2 ))
OR { 9}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 373 and name HD1%)
ASSI { 10}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 380 and name HD2%)
2.800 1.000 1.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.22642E-02 ppm1 7.032 ppm2 0.507 CV 1
OR { 10}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 380 and name HD1%)
OR { 10}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 362 and name HG1%)
ASSI { 12}
( segid "PAH2" and resid 318 and name HE% )
(( segid "PAH2" and resid 318 and name HB2 ))
4.800 2.800 1.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.16413E-03 ppm1 6.945 ppm2 2.441 CV 1
OR { 12}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 375 and name HG2 ))
OR { 12}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 375 and name HG1 ))
ASSI { 14}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 313 and name HD2 ))
3.400 1.400 1.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.57544E-03 ppm1 6.945 ppm2 1.674 CV 1
OR { 14}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 313 and name HD1 ))
OR { 14}
( segid "PAH2" and resid 318 and name HE% )
(( segid "PAH2" and resid 317 and name HB1 ))
ASSI { 15}
( segid "PAH2" and resid 328 and name HE% )
( segid "PAH2" and resid 332 and name HD2%)
4.200 2.200 1.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.19379E-03 ppm1 6.943 ppm2 0.368 CV 1
OR { 15}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 314 and name HG12))
ASSI { 16}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 358 and name HB ))
3.600 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.55369E-03 ppm1 6.853 ppm2 2.252 CV 1
OR { 16}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 336 and name HB2 ))
OR { 16}
(( segid "PAH2" and resid 318 and name HZ ))
(( segid "PAH2" and resid 369 and name HG2 ))
OR { 16}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 355 and name HG1 ))
ASSI { 17}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 329 and name HG ))
3.600 1.600 1.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.62588E-03 ppm1 6.834 ppm2 1.417 CV 1
OR { 17}
( segid "PAH2" and resid 359 and name HE% )
(( segid "PAH2" and resid 380 and name HB1 ))
OR { 17}
(( segid "PAH2" and resid 376 and name HZ ))
(( segid "PAH2" and resid 380 and name HB1 ))
OR { 17}
(( segid "PAH2" and resid 304 and name HZ ))
( segid "PAH2" and resid 307 and name HB% )
OR { 17}
( segid "PAH2" and resid 310 and name HE% )
( segid "PAH2" and resid 307 and name HB% )
ASSI { 18}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 314 and name HG12))
3.900 1.900 1.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.34210E-03 ppm1 6.833 ppm2 0.362 CV 1
OR { 18}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 332 and name HD2%)
OR { 18}
( segid "PAH2" and resid 366 and name HE% )
(( segid "PAH2" and resid 314 and name HG12))
ASSI { 19}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 362 and name HB ))
3.300 1.400 1.400 peak 19 spectrum 1 weight 0.10000E+01 volume 0.10085E-02 ppm1 6.832 ppm2 1.384 CV 1
OR { 19}
(( segid "PAH2" and resid 376 and name HZ ))
(( segid "PAH2" and resid 362 and name HB ))
OR { 19}
( segid "PAH2" and resid 366 and name HE% )
(( segid "PAH2" and resid 362 and name HB ))
OR { 19}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 329 and name HG ))
OR { 19}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 332 and name HG ))
ASSI { 21}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 332 and name HB2 ))
4.000 2.000 2.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.30848E-03 ppm1 6.824 ppm2 1.253 CV 1
OR { 21}
(( segid "PAH2" and resid 304 and name HZ ))
(( segid "PAH2" and resid 308 and name HG11))
OR { 21}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 334 and name HG2%)
OR { 21}
( segid "PAH2" and resid 359 and name HE% )
(( segid "PAH2" and resid 380 and name HG ))
ASSI { 25}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 314 and name HB ))
3.900 1.900 1.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.30551E-03 ppm1 6.796 ppm2 1.883 CV 1
OR { 25}
( segid "PAH2" and resid 359 and name HE% )
(( segid "PAH2" and resid 373 and name HG ))
OR { 25}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 314 and name HB ))
OR { 25}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 351 and name HB2 ))
ASSI { 26}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 313 and name HB1 ))
3.400 1.500 1.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.74749E-03 ppm1 6.791 ppm2 1.924 CV 1
OR { 26}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 313 and name HB2 ))
OR { 26}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 351 and name HG2 ))
ASSI { 27}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 314 and name HB ))
3.400 1.500 1.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.63479E-03 ppm1 6.789 ppm2 1.844 CV 1
OR { 27}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 314 and name HB ))
OR { 27}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 351 and name HB2 ))
ASSI { 29}
( segid "PAH2" and resid 335 and name HE% )
(( segid "PAH2" and resid 355 and name HG1 ))
3.800 1.800 1.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.39945E-03 ppm1 6.701 ppm2 2.243 CV 1
OR { 29}
( segid "PAH2" and resid 335 and name HE% )
(( segid "PAH2" and resid 358 and name HB ))
ASSI { 30}
( segid "PAH2" and resid 335 and name HE% )
(( segid "PAH2" and resid 339 and name HB1 ))
3.800 1.800 1.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.47162E-03 ppm1 6.701 ppm2 2.004 CV 1
OR { 30}
( segid "PAH2" and resid 335 and name HE% )
(( segid "PAH2" and resid 355 and name HB1 ))
OR { 30}
( segid "PAH2" and resid 335 and name HE% )
(( segid "PAH2" and resid 339 and name HG1 ))
ASSI { 32}
( segid "PAH2" and resid 379 and name HE% )
(( segid "PAH2" and resid 313 and name HB1 ))
3.000 3.000 3.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.77514E-03 ppm1 6.658 ppm2 1.930 CV 1
OR { 32}
( segid "PAH2" and resid 379 and name HE% )
(( segid "PAH2" and resid 381 and name HG1 ))
OR { 32}
( segid "PAH2" and resid 379 and name HE% )
(( segid "PAH2" and resid 381 and name HG2 ))
ASSI { 35}
( segid "PAH2" and resid 366 and name HD% )
( segid "PAH2" and resid 362 and name HG1%)
4.200 2.200 1.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.18885E-03 ppm1 6.639 ppm2 0.514 CV 1
OR { 35}
( segid "PAH2" and resid 366 and name HD% )
( segid "PAH2" and resid 372 and name HD1%)
ASSI { 39}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 351 and name HA ))
2.500 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.38956E-02 ppm1 6.815 ppm2 4.363 CV 1
OR { 39}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 372 and name HA ))
ASSI { 46}
( segid "PAH2" and resid 359 and name HE% )
(( segid "PAH2" and resid 377 and name HA1 ))
3.500 1.600 1.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.92347E-03 ppm1 6.815 ppm2 4.062 CV 1
OR { 46}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 376 and name HB1 ))
OR { 46}
( segid "PAH2" and resid 359 and name HE% )
(( segid "PAH2" and resid 376 and name HB1 ))
ASSI { 50}
( segid "PAH2" and resid 325 and name HD% )
( segid "PAH2" and resid 366 and name HD% )
3.000 3.000 3.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.23235E-02 ppm1 7.046 ppm2 6.640 CV 1
OR { 50}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 366 and name HD% )
ASSI { 53}
( segid "PAH2" and resid 376 and name HD% )
(( segid "PAH2" and resid 359 and name HA ))
4.500 2.600 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.18983E-03 ppm1 7.445 ppm2 3.792 CV 1
OR { 53}
(( segid "PAH2" and resid 328 and name HZ ))
(( segid "PAH2" and resid 359 and name HA ))
ASSI { 54}
( segid "PAH2" and resid 379 and name HD% )
(( segid "PAH2" and resid 379 and name HA ))
2.700 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.21653E-02 ppm1 7.185 ppm2 4.331 CV 1
OR { 54}
( segid "PAH2" and resid 304 and name HD% )
(( segid "PAH2" and resid 304 and name HA ))
ASSI { 58}
( segid "PAH2" and resid 376 and name HE% )
(( segid "PAH2" and resid 376 and name HZ ))
2.300 0.700 0.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.66543E-02 ppm1 7.198 ppm2 6.819 CV 1
OR { 58}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 359 and name HE% )
ASSI { 59}
( segid "PAH2" and resid 376 and name HE% )
(( segid "PAH2" and resid 362 and name HB ))
3.100 1.200 1.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.14831E-02 ppm1 7.192 ppm2 1.373 CV 1
OR { 59}
( segid "PAH2" and resid 304 and name HD% )
( segid "PAH2" and resid 307 and name HB% )
ASSI { 68}
( segid "PAH2" and resid 310 and name HD% )
( segid "PAH2" and resid 310 and name HE% )
1.800 0.400 0.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.26202E-01 ppm1 6.944 ppm2 6.820 CV 1
OR { 68}
( segid "PAH2" and resid 328 and name HE% )
( segid "PAH2" and resid 328 and name HD% )
OR { 68}
( segid "PAH2" and resid 328 and name HE% )
(( segid "PAH2" and resid 376 and name HZ ))
ASSI { 69}
( segid "PAH2" and resid 310 and name HD% )
( segid "PAH2" and resid 311 and name HG2%)
3.300 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.73460E-03 ppm1 6.947 ppm2 1.049 CV 1
OR { 69}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 314 and name HG11))
OR { 69}
( segid "PAH2" and resid 310 and name HD% )
( segid "PAH2" and resid 311 and name HG1%)
ASSI { 70}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 311 and name HA ))
4.300 2.300 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.23532E-03 ppm1 6.947 ppm2 3.401 CV 1
OR { 70}
( segid "PAH2" and resid 328 and name HE% )
(( segid "PAH2" and resid 328 and name HB1 ))
ASSI { 84}
( segid "PAH2" and resid 318 and name HE% )
( segid "PAH2" and resid 314 and name HG2%)
2.700 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.29860E-02 ppm1 6.948 ppm2 0.804 CV 1
OR { 84}
( segid "PAH2" and resid 328 and name HE% )
( segid "PAH2" and resid 314 and name HG2%)
OR { 84}
( segid "PAH2" and resid 310 and name HD% )
( segid "PAH2" and resid 314 and name HG2%)
ASSI { 86}
( segid "PAH2" and resid 310 and name HD% )
( segid "PAH2" and resid 314 and name HD1%)
3.100 1.200 1.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.10876E-02 ppm1 6.947 ppm2 -0.002 CV 1
OR { 86}
( segid "PAH2" and resid 318 and name HE% )
( segid "PAH2" and resid 324 and name HG2%)
ASSI { 89}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 329 and name HB2 ))
3.100 1.200 1.200 peak 89 spectrum 1 weight 0.10000E+01 volume 0.12656E-02 ppm1 7.035 ppm2 1.064 CV 1
OR { 89}
( segid "PAH2" and resid 325 and name HD% )
( segid "PAH2" and resid 311 and name HG1%)
ASSI { 92}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 362 and name HB ))
3.100 1.200 1.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.12656E-02 ppm1 7.053 ppm2 1.374 CV 1
OR { 92}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 315 and name HB2 ))
OR { 92}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 326 and name HG2 ))
ASSI { 95}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 315 and name HG2 ))
2.600 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.36880E-02 ppm1 7.041 ppm2 0.745 CV 1
OR { 95}
( segid "PAH2" and resid 325 and name HD% )
( segid "PAH2" and resid 329 and name HD1%)
ASSI { 98}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 314 and name HG2%)
2.600 0.800 0.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.33617E-02 ppm1 6.782 ppm2 0.803 CV 1
OR { 98}
( segid "PAH2" and resid 325 and name HE% )
( segid "PAH2" and resid 314 and name HG2%)
OR { 98}
( segid "PAH2" and resid 310 and name HE% )
( segid "PAH2" and resid 314 and name HG2%)
ASSI { 101}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 315 and name HA ))
3.500 1.500 1.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.34309E-03 ppm1 6.780 ppm2 3.065 CV 1
OR { 101}
( segid "PAH2" and resid 366 and name HE% )
(( segid "PAH2" and resid 315 and name HA ))
ASSI { 103}
( segid "PAH2" and resid 325 and name HE% )
( segid "PAH2" and resid 329 and name HD1%)
2.600 0.800 0.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.27981E-02 ppm1 6.782 ppm2 0.736 CV 1
OR { 103}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 365 and name HD2%)
ASSI { 104}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 328 and name HA ))
2.700 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.21851E-02 ppm1 6.834 ppm2 3.871 CV 1
OR { 104}
( segid "PAH2" and resid 359 and name HE% )
(( segid "PAH2" and resid 377 and name HA2 ))
ASSI { 105}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 328 and name HB1 ))
2.700 0.900 0.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.23433E-02 ppm1 6.832 ppm2 3.389 CV 1
OR { 105}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 376 and name HB2 ))
ASSI { 106}
(( segid "PAH2" and resid 304 and name HZ ))
( segid "PAH2" and resid 304 and name HE% )
2.800 1.000 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.18390E-02 ppm1 6.823 ppm2 7.201 CV 1
OR { 106}
(( segid "PAH2" and resid 376 and name HZ ))
( segid "PAH2" and resid 376 and name HE% )
ASSI { 108}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 314 and name HG11))
3.600 1.600 1.600 peak 108 spectrum 1 weight 0.10000E+01 volume 0.60905E-03 ppm1 6.836 ppm2 1.066 CV 1
OR { 108}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 329 and name HB2 ))
OR { 108}
( segid "PAH2" and resid 310 and name HE% )
( segid "PAH2" and resid 311 and name HG2%)
OR { 108}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 331 and name HG12))
ASSI { 109}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 331 and name HD1%)
2.600 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.34704E-02 ppm1 6.833 ppm2 0.734 CV 1
OR { 109}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 365 and name HD2%)
OR { 109}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 329 and name HD1%)
OR { 109}
(( segid "PAH2" and resid 318 and name HZ ))
( segid "PAH2" and resid 324 and name HD1%)
ASSI { 111}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 311 and name HG2%)
3.500 1.600 1.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.38165E-03 ppm1 7.199 ppm2 1.049 CV 1
OR { 111}
( segid "PAH2" and resid 376 and name HE% )
(( segid "PAH2" and resid 314 and name HG11))
OR { 111}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 311 and name HG1%)
OR { 111}
( segid "PAH2" and resid 304 and name HD% )
( segid "PAH2" and resid 311 and name HG2%)
ASSI { 114}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 380 and name HD2%)
2.700 0.900 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.27190E-02 ppm1 7.204 ppm2 0.504 CV 1
OR { 114}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 362 and name HG1%)
ASSI { 117}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 376 and name HE% )
2.000 0.500 0.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.11469E-01 ppm1 7.441 ppm2 7.205 CV 1
OR { 117}
(( segid "PAH2" and resid 328 and name HZ ))
( segid "PAH2" and resid 376 and name HE% )
ASSI { 119}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 335 and name HA ))
2.700 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.23631E-02 ppm1 6.840 ppm2 3.999 CV 1
OR { 119}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 336 and name HA ))
ASSI { 121}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 335 and name HB2 ))
2.600 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.32331E-02 ppm1 6.836 ppm2 2.977 CV 1
OR { 121}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 328 and name HB2 ))
ASSI { 123}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 313 and name HD2 ))
3.100 1.200 1.200 peak 123 spectrum 1 weight 0.10000E+01 volume 0.10777E-02 ppm1 6.847 ppm2 1.661 CV 1
OR { 123}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 353 and name HG ))
OR { 123}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 353 and name HB1 ))
OR { 123}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 313 and name HD1 ))
ASSI { 137}
( segid "PAH2" and resid 349 and name HE% )
( segid "PAH2" and resid 342 and name HB% )
2.700 0.900 0.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.31244E-02 ppm1 6.788 ppm2 1.419 CV 1
OR { 137}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 315 and name HB2 ))
OR { 137}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 329 and name HG ))
OR { 137}
(( segid "PAH2" and resid 376 and name HZ ))
(( segid "PAH2" and resid 380 and name HB1 ))
ASSI { 140}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 362 and name HA ))
3.300 1.400 1.400 peak 140 spectrum 1 weight 0.10000E+01 volume 0.11964E-02 ppm1 6.791 ppm2 2.939 CV 1
OR { 140}
( segid "PAH2" and resid 366 and name HE% )
(( segid "PAH2" and resid 362 and name HA ))
OR { 140}
( segid "PAH2" and resid 366 and name HE% )
(( segid "PAH2" and resid 366 and name HB2 ))
OR { 140}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 349 and name HB1 ))
OR { 140}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 310 and name HB2 ))
ASSI { 141}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 349 and name HB2 ))
4.300 2.300 1.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.22049E-03 ppm1 6.790 ppm2 2.738 CV 1
OR { 141}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 341 and name HB1 ))
ASSI { 149}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 360 and name HB% )
4.100 2.100 1.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.34902E-03 ppm1 7.052 ppm2 1.538 CV 1
OR { 149}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 324 and name HB ))
ASSI { 151}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 328 and name HB1 ))
3.900 1.900 1.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.39351E-03 ppm1 7.060 ppm2 3.403 CV 1
OR { 151}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 376 and name HB2 ))
ASSI { 154}
( segid "PAH2" and resid 359 and name HE% )
( segid "PAH2" and resid 363 and name HB% )
3.400 1.400 1.400 peak 154 spectrum 1 weight 0.10000E+01 volume 0.74946E-03 ppm1 6.821 ppm2 1.196 CV 1
OR { 154}
(( segid "PAH2" and resid 318 and name HZ ))
(( segid "PAH2" and resid 317 and name HB2 ))
OR { 154}
( segid "PAH2" and resid 366 and name HE% )
(( segid "PAH2" and resid 317 and name HB2 ))
OR { 154}
(( segid "PAH2" and resid 318 and name HZ ))
(( segid "PAH2" and resid 324 and name HG12))
ASSI { 157}
( segid "PAH2" and resid 366 and name HD% )
(( segid "PAH2" and resid 365 and name HG ))
3.200 1.300 1.300 peak 157 spectrum 1 weight 0.10000E+01 volume 0.75640E-03 ppm1 6.638 ppm2 1.611 CV 1
OR { 157}
( segid "PAH2" and resid 366 and name HD% )
(( segid "PAH2" and resid 372 and name HB1 ))
OR { 157}
( segid "PAH2" and resid 366 and name HD% )
(( segid "PAH2" and resid 317 and name HB1 ))
ASSI { 158}
( segid "PAH2" and resid 366 and name HD% )
( segid "PAH2" and resid 365 and name HD2%)
3.300 1.300 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.48151E-03 ppm1 6.636 ppm2 0.734 CV 1
OR { 158}
( segid "PAH2" and resid 366 and name HD% )
( segid "PAH2" and resid 324 and name HD1%)
ASSI { 164}
( segid "PAH2" and resid 366 and name HD% )
( segid "PAH2" and resid 373 and name HD1%)
3.500 1.500 1.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.72673E-03 ppm1 6.640 ppm2 0.969 CV 1
OR { 164}
( segid "PAH2" and resid 366 and name HD% )
(( segid "PAH2" and resid 372 and name HB2 ))
ASSI { 165}
( segid "PAH2" and resid 379 and name HE% )
(( segid "PAH2" and resid 303 and name HA ))
2.800 2.800 3.200 peak 165 spectrum 1 weight 0.10000E+01 volume 0.12952E-02 ppm1 6.639 ppm2 4.426 CV 1
OR { 165}
( segid "PAH2" and resid 379 and name HE% )
(( segid "PAH2" and resid 310 and name HA ))
OR { 165}
( segid "PAH2" and resid 366 and name HD% )
(( segid "PAH2" and resid 373 and name HA ))
ASSI { 166}
( segid "PAH2" and resid 366 and name HD% )
( segid "PAH2" and resid 314 and name HG2%)
3.200 1.300 1.300 peak 166 spectrum 1 weight 0.10000E+01 volume 0.10085E-02 ppm1 6.641 ppm2 0.824 CV 1
OR { 166}
( segid "PAH2" and resid 366 and name HD% )
( segid "PAH2" and resid 373 and name HD2%)
ASSI { 167}
( segid "PAH2" and resid 310 and name HE% )
( segid "PAH2" and resid 314 and name HD1%)
2.600 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.28475E-02 ppm1 6.814 ppm2 -0.021 CV 1
OR { 167}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 324 and name HG2%)
ASSI { 168}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 362 and name HG1%)
2.600 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.34704E-02 ppm1 6.822 ppm2 0.511 CV 1
OR { 168}
( segid "PAH2" and resid 310 and name HE% )
( segid "PAH2" and resid 372 and name HD1%)
OR { 168}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 362 and name HG1%)
OR { 168}
(( segid "PAH2" and resid 376 and name HZ ))
( segid "PAH2" and resid 362 and name HG1%)
OR { 168}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 332 and name HD1%)
OR { 168}
( segid "PAH2" and resid 359 and name HE% )
( segid "PAH2" and resid 362 and name HG1%)
ASSI { 171}
(( segid "PAH2" and resid 328 and name HZ ))
( segid "PAH2" and resid 332 and name HD1%)
3.600 1.600 1.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.53589E-03 ppm1 7.439 ppm2 0.507 CV 1
OR { 171}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 362 and name HG1%)
OR { 171}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 380 and name HD2%)
OR { 171}
(( segid "PAH2" and resid 328 and name HZ ))
( segid "PAH2" and resid 362 and name HG1%)
ASSI { 173}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 362 and name HG2%)
3.900 1.900 1.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.52304E-03 ppm1 7.438 ppm2 -0.402 CV 1
OR { 173}
(( segid "PAH2" and resid 328 and name HZ ))
( segid "PAH2" and resid 362 and name HG2%)
ASSI { 174}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 373 and name HD2%)
3.200 1.200 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.73165E-03 ppm1 7.440 ppm2 0.832 CV 1
OR { 174}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 314 and name HG2%)
OR { 174}
(( segid "PAH2" and resid 328 and name HZ ))
( segid "PAH2" and resid 314 and name HG2%)
OR { 174}
(( segid "PAH2" and resid 328 and name HZ ))
( segid "PAH2" and resid 331 and name HG2%)
ASSI { 178}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 310 and name HE% )
2.300 0.700 0.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.44789E-02 ppm1 7.438 ppm2 6.815 CV 1
OR { 178}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 359 and name HE% )
ASSI { 180}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 379 and name HE% )
4.000 2.000 2.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.36089E-03 ppm1 7.442 ppm2 6.652 CV 1
OR { 180}
(( segid "PAH2" and resid 306 and name HD2 ))
( segid "PAH2" and resid 379 and name HE% )
ASSI { 181}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 314 and name HG2%)
2.500 0.800 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.35792E-02 ppm1 6.823 ppm2 0.811 CV 1
OR { 181}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 358 and name HG2%)
ASSI { 182}
( segid "PAH2" and resid 328 and name HE% )
( segid "PAH2" and resid 362 and name HG1%)
2.800 1.000 1.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.20665E-02 ppm1 6.950 ppm2 0.512 CV 1
OR { 182}
( segid "PAH2" and resid 318 and name HE% )
(( segid "PAH2" and resid 317 and name HG2 ))
OR { 182}
( segid "PAH2" and resid 328 and name HE% )
( segid "PAH2" and resid 332 and name HD1%)
ASSI { 195}
( segid "PAH2" and resid 318 and name HE% )
(( segid "PAH2" and resid 324 and name HB ))
4.400 2.400 1.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.24619E-03 ppm1 6.948 ppm2 1.561 CV 1
OR { 195}
( segid "PAH2" and resid 318 and name HE% )
(( segid "PAH2" and resid 372 and name HG ))
OR { 195}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 313 and name HG1 ))
ASSI { 196}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 331 and name HB ))
4.100 2.100 1.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.26103E-03 ppm1 6.848 ppm2 1.780 CV 1
OR { 196}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 331 and name HG11))
OR { 196}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 329 and name HB1 ))
OR { 196}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 332 and name HB1 ))
OR { 196}
(( segid "PAH2" and resid 318 and name HZ ))
(( segid "PAH2" and resid 369 and name HB2 ))
OR { 196}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 355 and name HB2 ))
ASSI { 201}
( segid "PAH2" and resid 328 and name HE% )
(( segid "PAH2" and resid 366 and name HZ ))
4.300 2.300 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.26794E-03 ppm1 6.939 ppm2 6.185 CV 1
OR { 201}
( segid "PAH2" and resid 318 and name HE% )
(( segid "PAH2" and resid 366 and name HZ ))
ASSI { 202}
(( segid "PAH2" and resid 306 and name HD2 ))
(( segid "PAH2" and resid 379 and name HZ ))
4.200 2.200 1.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.21851E-03 ppm1 7.435 ppm2 6.271 CV 1
OR { 202}
( segid "PAH2" and resid 376 and name HD% )
(( segid "PAH2" and resid 379 and name HZ ))
ASSI { 203}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 376 and name HA ))
4.000 2.000 2.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.25213E-03 ppm1 6.814 ppm2 4.224 CV 1
OR { 203}
( segid "PAH2" and resid 359 and name HE% )
(( segid "PAH2" and resid 376 and name HA ))
ASSI { 205}
( segid "PAH2" and resid 366 and name HE% )
(( segid "PAH2" and resid 325 and name HA ))
4.300 2.300 1.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.25806E-03 ppm1 6.836 ppm2 4.150 CV 1
OR { 205}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 325 and name HA ))
OR { 205}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 375 and name HA ))
ASSI { 206}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 377 and name HA1 ))
4.800 2.900 1.200 peak 206 spectrum 1 weight 0.10000E+01 volume 0.14930E-03 ppm1 7.059 ppm2 4.072 CV 1
OR { 206}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 356 and name HA ))
OR { 206}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 376 and name HB1 ))
ASSI { 209}
( segid "PAH2" and resid 318 and name HE% )
( segid "PAH2" and resid 324 and name HD1%)
2.900 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.18588E-02 ppm1 6.947 ppm2 0.756 CV 1
OR { 209}
( segid "PAH2" and resid 328 and name HE% )
( segid "PAH2" and resid 329 and name HD1%)
ASSI { 212}
(( segid "PAH2" and resid 318 and name HZ ))
( segid "PAH2" and resid 324 and name HG2%)
3.300 1.300 1.300 peak 212 spectrum 1 weight 0.10000E+01 volume 0.10184E-02 ppm1 6.861 ppm2 -0.002 CV 1
OR { 212}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 314 and name HD1%)
ASSI { 213}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 353 and name HD1%)
3.100 1.200 1.200 peak 213 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 6.820 ppm2 0.964 CV 1
OR { 213}
(( segid "PAH2" and resid 376 and name HZ ))
( segid "PAH2" and resid 358 and name HG1%)
OR { 213}
( segid "PAH2" and resid 359 and name HE% )
( segid "PAH2" and resid 373 and name HD1%)
OR { 213}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 358 and name HG1%)
OR { 213}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 372 and name HB2 ))
ASSI { 214}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 315 and name HD1 ))
3.300 1.300 1.300 peak 214 spectrum 1 weight 0.10000E+01 volume 0.80087E-03 ppm1 7.056 ppm2 1.433 CV 1
OR { 214}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 380 and name HB1 ))
OR { 214}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 326 and name HG2 ))
OR { 214}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 329 and name HG ))
ASSI { 16}
(( segid "PAH2" and resid 380 and name HA ))
(( segid "PAH2" and resid 381 and name HD1 ))
2.700 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.31297E-02 ppm1 3.541 ppm2 4.529 CV 1
ASSI { 17}
(( segid "PAH2" and resid 380 and name HA ))
(( segid "PAH2" and resid 381 and name HD2 ))
3.000 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.22501E-02 ppm1 3.353 ppm2 4.530 CV 1
ASSI { 18}
(( segid "PAH2" and resid 300 and name HA ))
(( segid "PAH2" and resid 301 and name HD1 ))
2.400 0.700 0.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.57519E-02 ppm1 3.669 ppm2 4.681 CV 1
OR { 18}
(( segid "PAH2" and resid 300 and name HA ))
(( segid "PAH2" and resid 301 and name HD2 ))
ASSI { 19}
(( segid "PAH2" and resid 321 and name HA ))
(( segid "PAH2" and resid 322 and name HD2 ))
2.600 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.23684E-02 ppm1 3.473 ppm2 4.958 CV 1
ASSI { 21}
(( segid "PAH2" and resid 322 and name HD1 ))
(( segid "PAH2" and resid 322 and name HD2 ))
1.800 0.400 0.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.11030E-01 ppm1 3.470 ppm2 3.767 CV 1
ASSI { 22}
(( segid "PAH2" and resid 381 and name HD1 ))
(( segid "PAH2" and resid 381 and name HD2 ))
1.900 0.500 0.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.84083E-02 ppm1 3.356 ppm2 3.542 CV 1
ASSI { 27}
(( segid "PAH2" and resid 322 and name HG1 ))
(( segid "PAH2" and resid 322 and name HD2 ))
2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.53797E-02 ppm1 3.472 ppm2 2.121 CV 1
OR { 27}
(( segid "PAH2" and resid 322 and name HB2 ))
(( segid "PAH2" and resid 322 and name HD2 ))
ASSI { 28}
(( segid "PAH2" and resid 322 and name HG2 ))
(( segid "PAH2" and resid 322 and name HD1 ))
2.400 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.71390E-02 ppm1 3.768 ppm2 2.103 CV 1
OR { 28}
(( segid "PAH2" and resid 322 and name HG1 ))
(( segid "PAH2" and resid 322 and name HD1 ))
ASSI { 31}
(( segid "PAH2" and resid 380 and name HB1 ))
(( segid "PAH2" and resid 381 and name HD1 ))
4.800 2.900 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.29944E-03 ppm1 3.549 ppm2 1.474 CV 1
ASSI { 34}
(( segid "PAH2" and resid 301 and name HB1 ))
(( segid "PAH2" and resid 301 and name HD2 ))
3.400 1.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.17425E-02 ppm1 3.678 ppm2 2.393 CV 1
OR { 34}
(( segid "PAH2" and resid 301 and name HB1 ))
(( segid "PAH2" and resid 301 and name HD1 ))
ASSI { 37}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 381 and name HD2 ))
3.300 1.400 1.400 peak 37 spectrum 1 weight 0.10000E+01 volume 0.44324E-03 ppm1 3.358 ppm2 0.490 CV 1
OR { 37}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 381 and name HD2 ))
ASSI { 39}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 381 and name HD1 ))
3.600 1.600 1.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.28083E-03 ppm1 3.536 ppm2 0.490 CV 1
OR { 39}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 381 and name HD1 ))
ASSI { 53}
(( segid "PAH2" and resid 322 and name HB1 ))
(( segid "PAH2" and resid 322 and name HD1 ))
3.500 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.12418E-02 ppm1 3.767 ppm2 2.437 CV 1
ASSI { 55}
(( segid "PAH2" and resid 350 and name HA ))
( segid "PAH2" and resid 350 and name HG2%)
2.800 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.35019E-02 ppm1 1.111 ppm2 4.525 CV 1
ASSI { 56}
(( segid "PAH2" and resid 350 and name HB ))
( segid "PAH2" and resid 350 and name HG2%)
2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.71898E-02 ppm1 1.112 ppm2 3.855 CV 1
ASSI { 57}
(( segid "PAH2" and resid 351 and name HD1 ))
( segid "PAH2" and resid 350 and name HG2%)
3.300 1.400 1.400 peak 57 spectrum 1 weight 0.10000E+01 volume 0.52275E-02 ppm1 1.112 ppm2 3.716 CV 1
ASSI { 58}
(( segid "PAH2" and resid 302 and name HA ))
( segid "PAH2" and resid 302 and name HG2%)
3.100 1.200 1.200 peak 58 spectrum 1 weight 0.10000E+01 volume 0.35865E-02 ppm1 0.923 ppm2 3.901 CV 1
ASSI { 59}
(( segid "PAH2" and resid 302 and name HB ))
( segid "PAH2" and resid 302 and name HG2%)
2.300 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.11131E-01 ppm1 0.925 ppm2 2.080 CV 1
ASSI { 70}
(( segid "PAH2" and resid 362 and name HB ))
( segid "PAH2" and resid 362 and name HG2%)
2.600 0.800 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.39587E-02 ppm1 -0.385 ppm2 1.387 CV 1
ASSI { 72}
( segid "PAH2" and resid 358 and name HG1%)
( segid "PAH2" and resid 362 and name HG2%)
3.900 1.900 1.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.45847E-03 ppm1 -0.378 ppm2 0.985 CV 1
ASSI { 74}
( segid "PAH2" and resid 331 and name HD1%)
( segid "PAH2" and resid 362 and name HG2%)
3.600 1.600 1.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.74946E-03 ppm1 -0.384 ppm2 0.732 CV 1
ASSI { 80}
(( segid "PAH2" and resid 303 and name HA ))
( segid "PAH2" and resid 302 and name HG2%)
3.500 1.500 1.500 peak 80 spectrum 1 weight 0.10000E+01 volume 0.98800E-03 ppm1 0.923 ppm2 4.427 CV 1
ASSI { 81}
(( segid "PAH2" and resid 306 and name HB2 ))
( segid "PAH2" and resid 302 and name HG2%)
3.500 1.500 1.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.78497E-03 ppm1 0.923 ppm2 3.478 CV 1
ASSI { 82}
(( segid "PAH2" and resid 358 and name HA ))
( segid "PAH2" and resid 358 and name HG2%)
3.000 1.100 1.100 peak 82 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 0.830 ppm2 3.419 CV 1
ASSI { 85}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 358 and name HG2%)
3.100 1.200 1.200 peak 85 spectrum 1 weight 0.10000E+01 volume 0.60396E-03 ppm1 0.831 ppm2 -0.769 CV 1
ASSI { 86}
( segid "PAH2" and resid 328 and name HE% )
( segid "PAH2" and resid 358 and name HG2%)
3.300 1.400 1.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.20470E-02 ppm1 0.825 ppm2 -1.019 CV 1
ASSI { 87}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 358 and name HG2%)
3.600 1.600 1.600 peak 87 spectrum 1 weight 0.10000E+01 volume 0.55997E-03 ppm1 0.840 ppm2 -1.167 CV 1
ASSI { 90}
(( segid "PAH2" and resid 350 and name HA ))
(( segid "PAH2" and resid 351 and name HD1 ))
2.200 0.600 0.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.88310E-02 ppm1 3.699 ppm2 4.528 CV 1
OR { 90}
(( segid "PAH2" and resid 350 and name HA ))
(( segid "PAH2" and resid 351 and name HD2 ))
ASSI { 92}
(( segid "PAH2" and resid 351 and name HB1 ))
(( segid "PAH2" and resid 351 and name HD1 ))
4.300 2.300 1.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.64965E-03 ppm1 3.701 ppm2 2.314 CV 1
OR { 92}
(( segid "PAH2" and resid 351 and name HB1 ))
(( segid "PAH2" and resid 351 and name HD2 ))
ASSI { 93}
(( segid "PAH2" and resid 351 and name HG2 ))
(( segid "PAH2" and resid 351 and name HD2 ))
2.600 0.800 0.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.38403E-02 ppm1 3.696 ppm2 1.934 CV 1
OR { 93}
(( segid "PAH2" and resid 351 and name HG2 ))
(( segid "PAH2" and resid 351 and name HD1 ))
ASSI { 95}
(( segid "PAH2" and resid 351 and name HG1 ))
(( segid "PAH2" and resid 351 and name HD1 ))
2.400 0.700 0.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.55320E-02 ppm1 3.696 ppm2 2.069 CV 1
OR { 95}
(( segid "PAH2" and resid 351 and name HG1 ))
(( segid "PAH2" and resid 351 and name HD2 ))
ASSI { 96}
(( segid "PAH2" and resid 351 and name HG1 ))
(( segid "PAH2" and resid 351 and name HD1 ))
2.500 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.28760E-02 ppm1 3.745 ppm2 2.071 CV 1
ASSI { 98}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 351 and name HD1 ))
4.000 2.000 2.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.38065E-03 ppm1 3.702 ppm2 1.438 CV 1
OR { 98}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 351 and name HD2 ))
ASSI { 100}
( segid "PAH2" and resid 350 and name HG2%)
(( segid "PAH2" and resid 351 and name HD2 ))
3.900 1.900 1.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.12688E-02 ppm1 3.701 ppm2 1.117 CV 1
OR { 100}
( segid "PAH2" and resid 350 and name HG2%)
(( segid "PAH2" and resid 351 and name HD1 ))
ASSI { 102}
(( segid "PAH2" and resid 354 and name HB ))
( segid "PAH2" and resid 354 and name HG2%)
2.100 0.600 0.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.15699E-01 ppm1 1.332 ppm2 4.750 CV 1
OR { 102}
(( segid "PAH2" and resid 354 and name HA ))
( segid "PAH2" and resid 354 and name HG2%)
ASSI { 103}
(( segid "PAH2" and resid 302 and name HA ))
( segid "PAH2" and resid 302 and name HG1%)
2.800 1.000 1.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.42971E-02 ppm1 1.004 ppm2 3.900 CV 1
ASSI { 107}
(( segid "PAH2" and resid 302 and name HB ))
( segid "PAH2" and resid 302 and name HG1%)
2.400 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.84418E-02 ppm1 1.003 ppm2 2.080 CV 1
ASSI { 111}
(( segid "PAH2" and resid 332 and name HB1 ))
( segid "PAH2" and resid 332 and name HD1%)
3.500 1.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.20301E-02 ppm1 0.528 ppm2 1.808 CV 1
ASSI { 112}
( segid "PAH2" and resid 353 and name HD1%)
( segid "PAH2" and resid 334 and name HG2%)
2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.40433E-02 ppm1 1.271 ppm2 0.930 CV 1
OR { 112}
( segid "PAH2" and resid 353 and name HD2%)
( segid "PAH2" and resid 334 and name HG2%)
ASSI { 114}
(( segid "PAH2" and resid 338 and name HG2 ))
( segid "PAH2" and resid 334 and name HG2%)
2.900 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.25715E-02 ppm1 1.270 ppm2 2.435 CV 1
OR { 114}
(( segid "PAH2" and resid 338 and name HG1 ))
( segid "PAH2" and resid 334 and name HG2%)
ASSI { 115}
(( segid "PAH2" and resid 334 and name HB ))
( segid "PAH2" and resid 334 and name HG2%)
2.300 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.80018E-02 ppm1 1.270 ppm2 4.375 CV 1
ASSI { 116}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 380 and name HA ))
3.400 1.400 1.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.23177E-02 ppm1 4.532 ppm2 0.486 CV 1
OR { 116}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 380 and name HA ))
ASSI { 118}
(( segid "PAH2" and resid 372 and name HA ))
( segid "PAH2" and resid 372 and name HD1%)
2.500 0.800 0.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.46185E-02 ppm1 0.536 ppm2 4.393 CV 1
ASSI { 122}
(( segid "PAH2" and resid 372 and name HG ))
( segid "PAH2" and resid 372 and name HD1%)
2.300 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.66995E-02 ppm1 0.536 ppm2 1.580 CV 1
ASSI { 125}
(( segid "PAH2" and resid 372 and name HB2 ))
( segid "PAH2" and resid 372 and name HD1%)
2.300 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.71563E-02 ppm1 0.536 ppm2 0.990 CV 1
ASSI { 126}
( segid "PAH2" and resid 314 and name HG2%)
( segid "PAH2" and resid 372 and name HD1%)
2.500 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.14532E-01 ppm1 0.526 ppm2 0.815 CV 1
ASSI { 127}
( segid "PAH2" and resid 372 and name HD2%)
( segid "PAH2" and resid 372 and name HD1%)
2.400 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.72240E-02 ppm1 0.535 ppm2 0.233 CV 1
ASSI { 131}
( segid "PAH2" and resid 310 and name HE% )
( segid "PAH2" and resid 372 and name HD1%)
2.900 1.000 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.22669E-02 ppm1 0.535 ppm2 -1.158 CV 1
ASSI { 132}
( segid "PAH2" and resid 335 and name HE% )
( segid "PAH2" and resid 332 and name HD1%)
2.900 2.900 3.100 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 0.522 ppm2 -1.273 CV 1
ASSI { 134}
(( segid "PAH2" and resid 329 and name HA ))
( segid "PAH2" and resid 329 and name HD1%)
2.600 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.49061E-02 ppm1 0.757 ppm2 3.482 CV 1
ASSI { 135}
(( segid "PAH2" and resid 301 and name HB1 ))
( segid "PAH2" and resid 302 and name HG1%)
4.300 2.300 1.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.81203E-03 ppm1 1.004 ppm2 2.391 CV 1
ASSI { 137}
(( segid "PAH2" and resid 334 and name HA ))
( segid "PAH2" and resid 334 and name HG2%)
2.600 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.57181E-02 ppm1 1.268 ppm2 3.760 CV 1
ASSI { 141}
(( segid "PAH2" and resid 338 and name HB2 ))
( segid "PAH2" and resid 334 and name HG2%)
4.100 2.100 1.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.83401E-03 ppm1 1.268 ppm2 2.185 CV 1
OR { 141}
(( segid "PAH2" and resid 338 and name HB1 ))
( segid "PAH2" and resid 334 and name HG2%)
ASSI { 142}
(( segid "PAH2" and resid 337 and name HB1 ))
( segid "PAH2" and resid 334 and name HG2%)
3.400 1.500 1.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 1.269 ppm2 1.850 CV 1
OR { 142}
(( segid "PAH2" and resid 337 and name HB2 ))
( segid "PAH2" and resid 334 and name HG2%)
ASSI { 143}
(( segid "PAH2" and resid 353 and name HB1 ))
( segid "PAH2" and resid 334 and name HG2%)
3.400 1.400 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.20808E-02 ppm1 1.269 ppm2 1.672 CV 1
OR { 143}
(( segid "PAH2" and resid 353 and name HG ))
( segid "PAH2" and resid 334 and name HG2%)
ASSI { 148}
(( segid "PAH2" and resid 380 and name HB2 ))
(( segid "PAH2" and resid 380 and name HA ))
3.600 1.600 1.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.71898E-03 ppm1 4.537 ppm2 1.024 CV 1
ASSI { 151}
(( segid "PAH2" and resid 329 and name HB1 ))
( segid "PAH2" and resid 329 and name HD1%)
3.900 1.900 1.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.11859E-02 ppm1 0.757 ppm2 1.805 CV 1
ASSI { 152}
(( segid "PAH2" and resid 329 and name HB2 ))
( segid "PAH2" and resid 329 and name HD1%)
2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.62085E-02 ppm1 0.757 ppm2 1.099 CV 1
ASSI { 153}
( segid "PAH2" and resid 332 and name HD2%)
( segid "PAH2" and resid 329 and name HD1%)
2.900 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.10590E-02 ppm1 0.755 ppm2 0.387 CV 1
ASSI { 154}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 329 and name HD1%)
3.100 1.200 1.200 peak 154 spectrum 1 weight 0.10000E+01 volume 0.21823E-02 ppm1 0.757 ppm2 -1.168 CV 1
ASSI { 155}
( segid "PAH2" and resid 325 and name HD% )
( segid "PAH2" and resid 329 and name HD1%)
3.700 1.700 1.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.95244E-03 ppm1 0.759 ppm2 -0.937 CV 1
ASSI { 156}
( segid "PAH2" and resid 345 and name HB% )
(( segid "PAH2" and resid 345 and name HA ))
2.300 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.11233E-01 ppm1 4.338 ppm2 1.437 CV 1
ASSI { 158}
( segid "PAH2" and resid 383 and name HB% )
(( segid "PAH2" and resid 383 and name HA ))
2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.85772E-02 ppm1 4.203 ppm2 1.277 CV 1
ASSI { 160}
(( segid "PAH2" and resid 335 and name HA ))
( segid "PAH2" and resid 334 and name HG2%)
4.100 2.100 1.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.41279E-03 ppm1 1.272 ppm2 4.029 CV 1
ASSI { 161}
(( segid "PAH2" and resid 310 and name HA ))
( segid "PAH2" and resid 311 and name HG2%)
4.600 2.600 1.400 peak 161 spectrum 1 weight 0.10000E+01 volume 0.70036E-03 ppm1 1.103 ppm2 4.383 CV 1
ASSI { 163}
(( segid "PAH2" and resid 366 and name HB1 ))
(( segid "PAH2" and resid 366 and name HA ))
3.000 1.200 1.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.13500E-02 ppm1 4.990 ppm2 3.775 CV 1
ASSI { 164}
(( segid "PAH2" and resid 366 and name HB2 ))
(( segid "PAH2" and resid 366 and name HA ))
3.800 1.800 1.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.87969E-03 ppm1 4.990 ppm2 2.929 CV 1
ASSI { 167}
(( segid "PAH2" and resid 384 and name HB1 ))
(( segid "PAH2" and resid 384 and name HA ))
2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.97447E-02 ppm1 4.681 ppm2 2.779 CV 1
ASSI { 168}
(( segid "PAH2" and resid 384 and name HB2 ))
(( segid "PAH2" and resid 384 and name HA ))
3.100 1.200 1.200 peak 168 spectrum 1 weight 0.10000E+01 volume 0.21316E-02 ppm1 4.680 ppm2 2.628 CV 1
ASSI { 169}
(( segid "PAH2" and resid 369 and name HB1 ))
(( segid "PAH2" and resid 369 and name HA ))
3.000 1.100 1.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.14600E-02 ppm1 4.823 ppm2 1.898 CV 1
ASSI { 170}
(( segid "PAH2" and resid 369 and name HB2 ))
(( segid "PAH2" and resid 369 and name HA ))
3.000 1.100 1.100 peak 170 spectrum 1 weight 0.10000E+01 volume 0.25376E-02 ppm1 4.827 ppm2 1.809 CV 1
ASSI { 178}
(( segid "PAH2" and resid 311 and name HB ))
( segid "PAH2" and resid 311 and name HG2%)
2.400 0.700 0.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.57519E-02 ppm1 1.104 ppm2 2.214 CV 1
ASSI { 180}
( segid "PAH2" and resid 308 and name HG2%)
( segid "PAH2" and resid 311 and name HG2%)
3.300 1.300 1.300 peak 180 spectrum 1 weight 0.10000E+01 volume 0.28422E-02 ppm1 1.103 ppm2 0.766 CV 1
OR { 180}
(( segid "PAH2" and resid 308 and name HG12))
( segid "PAH2" and resid 311 and name HG2%)
ASSI { 181}
( segid "PAH2" and resid 308 and name HD1%)
( segid "PAH2" and resid 311 and name HG2%)
3.000 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.86957E-03 ppm1 1.103 ppm2 0.646 CV 1
ASSI { 183}
( segid "PAH2" and resid 325 and name HD% )
( segid "PAH2" and resid 311 and name HG2%)
3.200 3.200 2.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.59043E-03 ppm1 1.106 ppm2 -0.944 CV 1
ASSI { 186}
(( segid "PAH2" and resid 362 and name HB ))
( segid "PAH2" and resid 362 and name HG1%)
2.500 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.54305E-02 ppm1 0.528 ppm2 1.387 CV 1
ASSI { 187}
(( segid "PAH2" and resid 359 and name HA ))
( segid "PAH2" and resid 362 and name HG1%)
3.400 1.400 1.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.10624E-02 ppm1 0.532 ppm2 3.828 CV 1
ASSI { 189}
(( segid "PAH2" and resid 362 and name HA ))
( segid "PAH2" and resid 362 and name HG1%)
2.900 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.34343E-02 ppm1 0.528 ppm2 2.940 CV 1
ASSI { 193}
( segid "PAH2" and resid 362 and name HG2%)
( segid "PAH2" and resid 362 and name HG1%)
2.500 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.61408E-02 ppm1 0.530 ppm2 -0.379 CV 1
ASSI { 194}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 362 and name HG1%)
3.400 1.500 1.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.77820E-03 ppm1 0.532 ppm2 -0.777 CV 1
ASSI { 195}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 362 and name HG1%)
3.300 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.20132E-02 ppm1 0.527 ppm2 -0.950 CV 1
ASSI { 196}
( segid "PAH2" and resid 328 and name HE% )
( segid "PAH2" and resid 362 and name HG1%)
3.300 1.400 1.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.14752E-02 ppm1 0.529 ppm2 -1.022 CV 1
ASSI { 199}
(( segid "PAH2" and resid 373 and name HA ))
( segid "PAH2" and resid 373 and name HD2%)
2.700 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.44324E-02 ppm1 0.850 ppm2 4.451 CV 1
ASSI { 200}
(( segid "PAH2" and resid 296 and name HA ))
( segid "PAH2" and resid 296 and name HD2%)
2.800 1.000 1.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.36373E-02 ppm1 0.833 ppm2 4.281 CV 1
ASSI { 201}
(( segid "PAH2" and resid 363 and name HA ))
( segid "PAH2" and resid 373 and name HD2%)
2.600 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.43140E-02 ppm1 0.851 ppm2 3.782 CV 1
ASSI { 204}
(( segid "PAH2" and resid 311 and name HA ))
( segid "PAH2" and resid 311 and name HG1%)
2.500 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.57689E-02 ppm1 1.067 ppm2 3.430 CV 1
ASSI { 209}
(( segid "PAH2" and resid 366 and name HB2 ))
( segid "PAH2" and resid 373 and name HD2%)
3.100 1.200 1.200 peak 209 spectrum 1 weight 0.10000E+01 volume 0.13314E-02 ppm1 0.851 ppm2 2.938 CV 1
ASSI { 214}
(( segid "PAH2" and resid 311 and name HB ))
( segid "PAH2" and resid 311 and name HG1%)
2.400 0.700 0.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.63438E-02 ppm1 1.068 ppm2 2.213 CV 1
ASSI { 217}
(( segid "PAH2" and resid 358 and name HB ))
( segid "PAH2" and resid 358 and name HG1%)
2.500 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.42125E-02 ppm1 0.949 ppm2 2.241 CV 1
ASSI { 218}
(( segid "PAH2" and resid 373 and name HB1 ))
( segid "PAH2" and resid 373 and name HD2%)
2.700 0.900 0.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.35696E-02 ppm1 0.849 ppm2 2.150 CV 1
ASSI { 219}
(( segid "PAH2" and resid 373 and name HG ))
( segid "PAH2" and resid 373 and name HD2%)
2.600 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.45339E-02 ppm1 0.850 ppm2 1.879 CV 1
ASSI { 220}
(( segid "PAH2" and resid 373 and name HB2 ))
( segid "PAH2" and resid 373 and name HD2%)
2.800 1.000 1.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.43478E-02 ppm1 0.845 ppm2 1.724 CV 1
ASSI { 221}
(( segid "PAH2" and resid 296 and name HG ))
( segid "PAH2" and resid 296 and name HD2%)
2.400 0.700 0.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.77143E-02 ppm1 0.835 ppm2 1.601 CV 1
OR { 221}
(( segid "PAH2" and resid 296 and name HB1 ))
( segid "PAH2" and resid 296 and name HD2%)
ASSI { 222}
(( segid "PAH2" and resid 296 and name HB2 ))
( segid "PAH2" and resid 296 and name HD2%)
2.800 1.000 1.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.41448E-02 ppm1 0.835 ppm2 1.494 CV 1
ASSI { 224}
( segid "PAH2" and resid 363 and name HB% )
( segid "PAH2" and resid 373 and name HD2%)
2.700 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.68180E-02 ppm1 0.847 ppm2 1.219 CV 1
ASSI { 225}
(( segid "PAH2" and resid 353 and name HG ))
( segid "PAH2" and resid 358 and name HG1%)
3.700 1.700 1.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.19286E-02 ppm1 0.946 ppm2 1.684 CV 1
OR { 225}
(( segid "PAH2" and resid 353 and name HB1 ))
( segid "PAH2" and resid 358 and name HG1%)
ASSI { 227}
( segid "PAH2" and resid 362 and name HG2%)
( segid "PAH2" and resid 373 and name HD2%)
3.800 1.800 1.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.96938E-03 ppm1 0.853 ppm2 -0.380 CV 1
ASSI { 230}
( segid "PAH2" and resid 335 and name HE% )
( segid "PAH2" and resid 358 and name HG1%)
4.000 2.000 2.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.10100E-02 ppm1 0.946 ppm2 -1.273 CV 1
ASSI { 239}
( segid "PAH2" and resid 294 and name HB% )
(( segid "PAH2" and resid 294 and name HA ))
2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.63612E-02 ppm1 4.293 ppm2 1.397 CV 1
ASSI { 245}
( segid "PAH2" and resid 314 and name HD1%)
( segid "PAH2" and resid 311 and name HG1%)
4.400 2.400 1.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.40433E-03 ppm1 1.068 ppm2 -0.010 CV 1
ASSI { 246}
( segid "PAH2" and resid 325 and name HD% )
( segid "PAH2" and resid 311 and name HG1%)
4.400 2.400 1.600 peak 246 spectrum 1 weight 0.10000E+01 volume 0.79514E-03 ppm1 1.066 ppm2 -0.949 CV 1
ASSI { 247}
( segid "PAH2" and resid 310 and name HD% )
( segid "PAH2" and resid 311 and name HG1%)
3.800 1.800 1.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.70545E-03 ppm1 1.071 ppm2 -1.032 CV 1
ASSI { 250}
(( segid "PAH2" and resid 322 and name HD1 ))
(( segid "PAH2" and resid 321 and name HA ))
2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.37388E-02 ppm1 4.960 ppm2 3.772 CV 1
ASSI { 252}
(( segid "PAH2" and resid 321 and name HB1 ))
(( segid "PAH2" and resid 321 and name HA ))
2.600 0.800 0.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.34681E-02 ppm1 4.957 ppm2 2.377 CV 1
OR { 252}
(( segid "PAH2" and resid 321 and name HG2 ))
(( segid "PAH2" and resid 321 and name HA ))
ASSI { 253}
(( segid "PAH2" and resid 321 and name HB2 ))
(( segid "PAH2" and resid 321 and name HA ))
3.400 1.500 1.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.13838E-02 ppm1 4.960 ppm2 2.171 CV 1
ASSI { 256}
(( segid "PAH2" and resid 382 and name HB1 ))
(( segid "PAH2" and resid 382 and name HA ))
3.100 1.200 1.200 peak 256 spectrum 1 weight 0.10000E+01 volume 0.23008E-02 ppm1 4.321 ppm2 2.626 CV 1
ASSI { 257}
(( segid "PAH2" and resid 382 and name HB2 ))
(( segid "PAH2" and resid 382 and name HA ))
3.200 1.300 1.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.18440E-02 ppm1 4.322 ppm2 2.434 CV 1
ASSI { 262}
(( segid "PAH2" and resid 367 and name HB2 ))
(( segid "PAH2" and resid 367 and name HG1 ))
2.600 0.800 0.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.50583E-02 ppm1 1.485 ppm2 1.894 CV 1
OR { 262}
(( segid "PAH2" and resid 367 and name HB2 ))
(( segid "PAH2" and resid 367 and name HG2 ))
ASSI { 263}
(( segid "PAH2" and resid 367 and name HD1 ))
(( segid "PAH2" and resid 367 and name HG1 ))
2.200 0.600 0.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.13026E-01 ppm1 1.484 ppm2 1.773 CV 1
OR { 263}
(( segid "PAH2" and resid 367 and name HD2 ))
(( segid "PAH2" and resid 367 and name HG2 ))
OR { 263}
(( segid "PAH2" and resid 367 and name HD2 ))
(( segid "PAH2" and resid 367 and name HG1 ))
OR { 263}
(( segid "PAH2" and resid 367 and name HD1 ))
(( segid "PAH2" and resid 367 and name HG2 ))
ASSI { 264}
(( segid "PAH2" and resid 349 and name HB2 ))
(( segid "PAH2" and resid 342 and name HA ))
4.500 2.600 1.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 3.906 ppm2 2.766 CV 1
ASSI { 265}
(( segid "PAH2" and resid 349 and name HB1 ))
(( segid "PAH2" and resid 342 and name HA ))
3.600 1.600 1.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.42971E-03 ppm1 3.913 ppm2 2.954 CV 1
ASSI { 266}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 342 and name HA ))
5.400 3.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.23854E-03 ppm1 3.907 ppm2 -1.181 CV 1
ASSI { 271}
(( segid "PAH2" and resid 300 and name HB1 ))
(( segid "PAH2" and resid 300 and name HA ))
2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.41279E-02 ppm1 4.681 ppm2 2.224 CV 1
OR { 271}
(( segid "PAH2" and resid 300 and name HG2 ))
(( segid "PAH2" and resid 300 and name HA ))
ASSI { 273}
(( segid "PAH2" and resid 300 and name HB2 ))
(( segid "PAH2" and resid 300 and name HA ))
3.300 1.400 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 4.678 ppm2 1.981 CV 1
ASSI { 274}
(( segid "PAH2" and resid 353 and name HB1 ))
(( segid "PAH2" and resid 353 and name HA ))
2.900 1.100 1.100 peak 274 spectrum 1 weight 0.10000E+01 volume 0.26391E-02 ppm1 4.673 ppm2 1.681 CV 1
OR { 274}
(( segid "PAH2" and resid 353 and name HG ))
(( segid "PAH2" and resid 353 and name HA ))
ASSI { 275}
(( segid "PAH2" and resid 353 and name HB2 ))
(( segid "PAH2" and resid 353 and name HA ))
2.800 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.25545E-02 ppm1 4.672 ppm2 1.554 CV 1
ASSI { 277}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 353 and name HA ))
2.800 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.51768E-02 ppm1 4.672 ppm2 0.942 CV 1
OR { 277}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 353 and name HA ))
ASSI { 278}
(( segid "PAH2" and resid 341 and name HB1 ))
(( segid "PAH2" and resid 341 and name HA ))
2.700 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.49907E-02 ppm1 4.321 ppm2 2.736 CV 1
ASSI { 279}
(( segid "PAH2" and resid 341 and name HB2 ))
(( segid "PAH2" and resid 341 and name HA ))
2.800 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.34850E-02 ppm1 4.320 ppm2 2.406 CV 1
ASSI { 282}
(( segid "PAH2" and resid 330 and name HG2 ))
(( segid "PAH2" and resid 327 and name HA ))
3.600 1.600 1.600 peak 282 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 4.096 ppm2 2.290 CV 1
OR { 282}
(( segid "PAH2" and resid 330 and name HG1 ))
(( segid "PAH2" and resid 327 and name HA ))
ASSI { 283}
(( segid "PAH2" and resid 330 and name HB2 ))
(( segid "PAH2" and resid 327 and name HA ))
2.600 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.50414E-02 ppm1 4.100 ppm2 2.083 CV 1
OR { 283}
(( segid "PAH2" and resid 330 and name HB1 ))
(( segid "PAH2" and resid 327 and name HA ))
ASSI { 284}
( segid "PAH2" and resid 327 and name HB% )
(( segid "PAH2" and resid 327 and name HA ))
2.200 0.600 0.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.13365E-01 ppm1 4.096 ppm2 1.534 CV 1
ASSI { 286}
( segid "PAH2" and resid 363 and name HB% )
(( segid "PAH2" and resid 360 and name HA ))
2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.39418E-02 ppm1 4.028 ppm2 1.217 CV 1
ASSI { 287}
( segid "PAH2" and resid 363 and name HB% )
(( segid "PAH2" and resid 363 and name HA ))
2.400 0.700 0.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.73928E-02 ppm1 3.782 ppm2 1.220 CV 1
ASSI { 288}
( segid "PAH2" and resid 373 and name HD1%)
(( segid "PAH2" and resid 363 and name HA ))
2.800 1.000 1.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.29944E-02 ppm1 3.782 ppm2 0.991 CV 1
ASSI { 297}
(( segid "PAH2" and resid 371 and name HB1 ))
(( segid "PAH2" and resid 371 and name HA ))
2.400 0.700 0.700 peak 297 spectrum 1 weight 0.10000E+01 volume 0.90508E-02 ppm1 4.384 ppm2 2.886 CV 1
ASSI { 298}
(( segid "PAH2" and resid 319 and name HG2 ))
(( segid "PAH2" and resid 316 and name HA ))
3.700 1.700 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 4.342 ppm2 2.450 CV 1
OR { 298}
(( segid "PAH2" and resid 319 and name HG1 ))
(( segid "PAH2" and resid 316 and name HA ))
ASSI { 299}
(( segid "PAH2" and resid 319 and name HB1 ))
(( segid "PAH2" and resid 316 and name HA ))
4.000 2.000 2.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.11842E-02 ppm1 4.338 ppm2 2.256 CV 1
ASSI { 300}
(( segid "PAH2" and resid 319 and name HB2 ))
(( segid "PAH2" and resid 316 and name HA ))
3.000 1.200 1.200 peak 300 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 4.342 ppm2 2.112 CV 1
ASSI { 303}
(( segid "PAH2" and resid 372 and name HB1 ))
(( segid "PAH2" and resid 371 and name HA ))
3.500 3.500 2.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.29437E-02 ppm1 4.381 ppm2 1.639 CV 1
ASSI { 304}
(( segid "PAH2" and resid 315 and name HB2 ))
(( segid "PAH2" and resid 312 and name HA ))
2.900 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.21147E-02 ppm1 4.379 ppm2 1.417 CV 1
ASSI { 305}
(( segid "PAH2" and resid 296 and name HB1 ))
(( segid "PAH2" and resid 296 and name HA ))
2.900 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.29098E-02 ppm1 4.281 ppm2 1.608 CV 1
OR { 305}
(( segid "PAH2" and resid 296 and name HG ))
(( segid "PAH2" and resid 296 and name HA ))
ASSI { 306}
(( segid "PAH2" and resid 296 and name HB2 ))
(( segid "PAH2" and resid 296 and name HA ))
2.900 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.31297E-02 ppm1 4.282 ppm2 1.491 CV 1
ASSI { 307}
( segid "PAH2" and resid 296 and name HD2%)
(( segid "PAH2" and resid 296 and name HA ))
3.000 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.27237E-02 ppm1 4.282 ppm2 0.838 CV 1
OR { 307}
( segid "PAH2" and resid 296 and name HD1%)
(( segid "PAH2" and resid 296 and name HA ))
ASSI { 309}
(( segid "PAH2" and resid 308 and name HG12))
(( segid "PAH2" and resid 305 and name HA ))
2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.25715E-02 ppm1 4.388 ppm2 0.815 CV 1
OR { 309}
( segid "PAH2" and resid 308 and name HG2%)
(( segid "PAH2" and resid 305 and name HA ))
ASSI { 310}
(( segid "PAH2" and resid 379 and name HZ ))
(( segid "PAH2" and resid 307 and name HA ))
3.700 1.700 1.700 peak 310 spectrum 1 weight 0.10000E+01 volume 0.55828E-03 ppm1 3.995 ppm2 6.268 CV 1
ASSI { 311}
(( segid "PAH2" and resid 310 and name HB2 ))
(( segid "PAH2" and resid 307 and name HA ))
3.700 1.700 1.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.81371E-03 ppm1 3.999 ppm2 2.940 CV 1
ASSI { 316}
(( segid "PAH2" and resid 317 and name HB1 ))
(( segid "PAH2" and resid 317 and name HA ))
3.200 1.300 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.16173E-02 ppm1 3.854 ppm2 1.617 CV 1
ASSI { 317}
(( segid "PAH2" and resid 317 and name HB2 ))
(( segid "PAH2" and resid 317 and name HA ))
3.100 1.200 1.200 peak 317 spectrum 1 weight 0.10000E+01 volume 0.12604E-02 ppm1 3.856 ppm2 1.175 CV 1
ASSI { 318}
(( segid "PAH2" and resid 317 and name HG1 ))
(( segid "PAH2" and resid 317 and name HA ))
3.700 1.700 1.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.69360E-03 ppm1 3.856 ppm2 0.956 CV 1
ASSI { 319}
(( segid "PAH2" and resid 317 and name HG2 ))
(( segid "PAH2" and resid 317 and name HA ))
4.600 2.600 1.400 peak 319 spectrum 1 weight 0.10000E+01 volume 0.37388E-03 ppm1 3.858 ppm2 0.479 CV 1
ASSI { 321}
(( segid "PAH2" and resid 297 and name HG1 ))
(( segid "PAH2" and resid 297 and name HA ))
3.300 1.300 1.300 peak 321 spectrum 1 weight 0.10000E+01 volume 0.16478E-02 ppm1 4.128 ppm2 2.277 CV 1
OR { 321}
(( segid "PAH2" and resid 297 and name HG2 ))
(( segid "PAH2" and resid 297 and name HA ))
ASSI { 323}
(( segid "PAH2" and resid 309 and name HB1 ))
(( segid "PAH2" and resid 309 and name HA ))
2.600 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.42294E-02 ppm1 4.443 ppm2 3.070 CV 1
ASSI { 329}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 323 and name HA ))
2.300 0.700 0.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.99136E-02 ppm1 4.395 ppm2 1.876 CV 1
OR { 329}
(( segid "PAH2" and resid 326 and name HB1 ))
(( segid "PAH2" and resid 323 and name HA ))
ASSI { 331}
(( segid "PAH2" and resid 317 and name HD2 ))
(( segid "PAH2" and resid 317 and name HA ))
2.600 0.900 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.37557E-02 ppm1 3.858 ppm2 3.045 CV 1
ASSI { 333}
(( segid "PAH2" and resid 372 and name HB1 ))
(( segid "PAH2" and resid 372 and name HA ))
2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.48046E-02 ppm1 4.394 ppm2 1.604 CV 1
ASSI { 334}
(( segid "PAH2" and resid 318 and name HB1 ))
(( segid "PAH2" and resid 318 and name HA ))
3.000 1.100 1.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.16326E-02 ppm1 4.917 ppm2 3.921 CV 1
ASSI { 335}
(( segid "PAH2" and resid 318 and name HB2 ))
(( segid "PAH2" and resid 318 and name HA ))
3.600 1.600 1.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.13923E-02 ppm1 4.910 ppm2 2.466 CV 1
ASSI { 337}
(( segid "PAH2" and resid 321 and name HB2 ))
(( segid "PAH2" and resid 318 and name HA ))
4.500 2.500 1.500 peak 337 spectrum 1 weight 0.10000E+01 volume 0.30113E-03 ppm1 4.917 ppm2 2.178 CV 1
ASSI { 340}
( segid "PAH2" and resid 329 and name HD2%)
(( segid "PAH2" and resid 329 and name HA ))
4.600 2.600 1.400 peak 340 spectrum 1 weight 0.10000E+01 volume 0.50583E-03 ppm1 3.492 ppm2 0.626 CV 1
ASSI { 341}
( segid "PAH2" and resid 332 and name HD2%)
(( segid "PAH2" and resid 329 and name HA ))
4.000 2.000 2.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.49061E-03 ppm1 3.480 ppm2 0.386 CV 1
ASSI { 342}
(( segid "PAH2" and resid 329 and name HB2 ))
(( segid "PAH2" and resid 329 and name HA ))
2.900 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.17594E-02 ppm1 3.485 ppm2 1.098 CV 1
ASSI { 343}
(( segid "PAH2" and resid 329 and name HG ))
(( segid "PAH2" and resid 329 and name HA ))
3.500 1.500 1.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.94232E-03 ppm1 3.489 ppm2 1.388 CV 1
ASSI { 347}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 339 and name HA ))
2.900 1.000 1.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.26391E-02 ppm1 3.887 ppm2 1.442 CV 1
ASSI { 348}
(( segid "PAH2" and resid 339 and name HB2 ))
(( segid "PAH2" and resid 339 and name HA ))
2.400 0.700 0.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.62935E-02 ppm1 3.888 ppm2 1.967 CV 1
OR { 348}
(( segid "PAH2" and resid 339 and name HG2 ))
(( segid "PAH2" and resid 339 and name HA ))
ASSI { 349}
(( segid "PAH2" and resid 339 and name HB1 ))
(( segid "PAH2" and resid 339 and name HA ))
2.500 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.65977E-02 ppm1 3.888 ppm2 2.039 CV 1
OR { 349}
(( segid "PAH2" and resid 339 and name HG1 ))
(( segid "PAH2" and resid 339 and name HA ))
ASSI { 350}
(( segid "PAH2" and resid 332 and name HB2 ))
(( segid "PAH2" and resid 332 and name HA ))
2.900 1.000 1.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.23008E-02 ppm1 3.895 ppm2 1.281 CV 1
ASSI { 351}
(( segid "PAH2" and resid 335 and name HB2 ))
(( segid "PAH2" and resid 332 and name HA ))
4.800 2.800 1.200 peak 351 spectrum 1 weight 0.10000E+01 volume 0.19286E-03 ppm1 3.888 ppm2 2.993 CV 1
ASSI { 352}
(( segid "PAH2" and resid 335 and name HB1 ))
(( segid "PAH2" and resid 332 and name HA ))
4.000 2.000 2.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.25038E-03 ppm1 3.894 ppm2 3.282 CV 1
ASSI { 354}
( segid "PAH2" and resid 332 and name HD1%)
(( segid "PAH2" and resid 332 and name HA ))
2.900 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.26561E-02 ppm1 3.896 ppm2 0.524 CV 1
ASSI { 355}
(( segid "PAH2" and resid 343 and name HB2 ))
(( segid "PAH2" and resid 343 and name HA ))
2.000 0.500 0.500 peak 355 spectrum 1 weight 0.10000E+01 volume 0.23346E-01 ppm1 4.111 ppm2 1.938 CV 1
OR { 355}
(( segid "PAH2" and resid 343 and name HB1 ))
(( segid "PAH2" and resid 343 and name HA ))
ASSI { 357}
(( segid "PAH2" and resid 343 and name HG1 ))
(( segid "PAH2" and resid 343 and name HA ))
2.800 1.000 1.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.32482E-02 ppm1 4.108 ppm2 1.543 CV 1
ASSI { 360}
(( segid "PAH2" and resid 376 and name HB1 ))
(( segid "PAH2" and resid 373 and name HA ))
2.500 0.800 0.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.34681E-02 ppm1 4.436 ppm2 4.119 CV 1
ASSI { 361}
(( segid "PAH2" and resid 306 and name HB2 ))
(( segid "PAH2" and resid 303 and name HA ))
3.100 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.15445E-02 ppm1 4.437 ppm2 3.451 CV 1
ASSI { 362}
(( segid "PAH2" and resid 306 and name HB1 ))
(( segid "PAH2" and resid 303 and name HA ))
3.500 1.600 1.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.89999E-03 ppm1 4.428 ppm2 3.600 CV 1
ASSI { 363}
(( segid "PAH2" and resid 333 and name HB2 ))
(( segid "PAH2" and resid 333 and name HA ))
2.900 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.19624E-02 ppm1 4.439 ppm2 2.966 CV 1
ASSI { 365}
(( segid "PAH2" and resid 303 and name HB1 ))
(( segid "PAH2" and resid 303 and name HA ))
2.700 0.900 0.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.53459E-02 ppm1 4.437 ppm2 2.176 CV 1
ASSI { 366}
(( segid "PAH2" and resid 303 and name HB2 ))
(( segid "PAH2" and resid 303 and name HA ))
2.600 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.43478E-02 ppm1 4.436 ppm2 2.077 CV 1
ASSI { 367}
(( segid "PAH2" and resid 373 and name HB2 ))
(( segid "PAH2" and resid 373 and name HA ))
2.900 1.100 1.100 peak 367 spectrum 1 weight 0.10000E+01 volume 0.23008E-02 ppm1 4.452 ppm2 1.722 CV 1
ASSI { 368}
(( segid "PAH2" and resid 373 and name HG ))
(( segid "PAH2" and resid 373 and name HA ))
3.500 1.500 1.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.99645E-03 ppm1 4.452 ppm2 1.892 CV 1
ASSI { 371}
( segid "PAH2" and resid 362 and name HG2%)
(( segid "PAH2" and resid 373 and name HA ))
4.600 2.600 1.400 peak 371 spectrum 1 weight 0.10000E+01 volume 0.25545E-03 ppm1 4.449 ppm2 -0.388 CV 1
ASSI { 372}
( segid "PAH2" and resid 379 and name HE% )
(( segid "PAH2" and resid 303 and name HA ))
3.300 1.400 1.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.44324E-03 ppm1 4.456 ppm2 -1.319 CV 1
ASSI { 373}
( segid "PAH2" and resid 349 and name HD% )
(( segid "PAH2" and resid 349 and name HA ))
2.900 1.100 1.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.24869E-02 ppm1 4.518 ppm2 -1.071 CV 1
ASSI { 375}
(( segid "PAH2" and resid 306 and name HD2 ))
(( segid "PAH2" and resid 306 and name HA ))
3.400 1.500 1.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.12621E-02 ppm1 4.710 ppm2 -0.535 CV 1
ASSI { 377}
(( segid "PAH2" and resid 333 and name HB1 ))
(( segid "PAH2" and resid 333 and name HA ))
3.500 1.500 1.500 peak 377 spectrum 1 weight 0.10000E+01 volume 0.14668E-02 ppm1 4.417 ppm2 3.266 CV 1
ASSI { 379}
(( segid "PAH2" and resid 293 and name HB2 ))
(( segid "PAH2" and resid 295 and name HA ))
3.800 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.92537E-03 ppm1 4.370 ppm2 2.738 CV 1
ASSI { 380}
(( segid "PAH2" and resid 349 and name HB1 ))
(( segid "PAH2" and resid 349 and name HA ))
2.800 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.52444E-02 ppm1 4.518 ppm2 2.964 CV 1
ASSI { 381}
(( segid "PAH2" and resid 349 and name HB2 ))
(( segid "PAH2" and resid 349 and name HA ))
2.800 1.000 1.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.23346E-02 ppm1 4.517 ppm2 2.775 CV 1
ASSI { 383}
(( segid "PAH2" and resid 309 and name HB1 ))
(( segid "PAH2" and resid 306 and name HA ))
3.800 1.800 1.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.17594E-02 ppm1 4.710 ppm2 3.066 CV 1
ASSI { 384}
(( segid "PAH2" and resid 306 and name HB1 ))
(( segid "PAH2" and resid 306 and name HA ))
3.000 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.26561E-02 ppm1 4.703 ppm2 3.580 CV 1
ASSI { 385}
(( segid "PAH2" and resid 306 and name HB2 ))
(( segid "PAH2" and resid 306 and name HA ))
2.900 1.000 1.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.28252E-02 ppm1 4.706 ppm2 3.470 CV 1
ASSI { 388}
(( segid "PAH2" and resid 344 and name HG2 ))
(( segid "PAH2" and resid 344 and name HA ))
3.100 1.200 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.31297E-02 ppm1 4.152 ppm2 2.274 CV 1
ASSI { 390}
(( segid "PAH2" and resid 344 and name HB2 ))
(( segid "PAH2" and resid 344 and name HA ))
2.300 0.600 0.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.94064E-02 ppm1 4.153 ppm2 1.971 CV 1
ASSI { 392}
(( segid "PAH2" and resid 378 and name HB2 ))
(( segid "PAH2" and resid 378 and name HA ))
2.500 0.800 0.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.77485E-02 ppm1 3.992 ppm2 1.729 CV 1
ASSI { 393}
(( segid "PAH2" and resid 365 and name HB1 ))
(( segid "PAH2" and resid 365 and name HA ))
3.000 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.27068E-02 ppm1 4.029 ppm2 1.499 CV 1
ASSI { 394}
(( segid "PAH2" and resid 365 and name HG ))
(( segid "PAH2" and resid 365 and name HA ))
3.100 1.200 1.200 peak 394 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 4.034 ppm2 1.618 CV 1
ASSI { 395}
(( segid "PAH2" and resid 365 and name HB2 ))
(( segid "PAH2" and resid 365 and name HA ))
2.900 1.100 1.100 peak 395 spectrum 1 weight 0.10000E+01 volume 0.20808E-02 ppm1 4.031 ppm2 1.317 CV 1
ASSI { 396}
( segid "PAH2" and resid 365 and name HD1%)
(( segid "PAH2" and resid 365 and name HA ))
2.800 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.48554E-02 ppm1 4.031 ppm2 0.778 CV 1
OR { 396}
( segid "PAH2" and resid 365 and name HD2%)
(( segid "PAH2" and resid 365 and name HA ))
ASSI { 399}
(( segid "PAH2" and resid 372 and name HB2 ))
(( segid "PAH2" and resid 372 and name HA ))
3.000 1.100 1.100 peak 399 spectrum 1 weight 0.10000E+01 volume 0.13619E-02 ppm1 4.388 ppm2 0.991 CV 1
ASSI { 401}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 372 and name HA ))
3.100 1.200 1.200 peak 401 spectrum 1 weight 0.10000E+01 volume 0.18271E-02 ppm1 4.396 ppm2 -1.161 CV 1
ASSI { 403}
(( segid "PAH2" and resid 323 and name HB1 ))
(( segid "PAH2" and resid 323 and name HA ))
2.400 0.700 0.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.92705E-02 ppm1 4.400 ppm2 2.711 CV 1
ASSI { 404}
(( segid "PAH2" and resid 323 and name HB2 ))
(( segid "PAH2" and resid 323 and name HA ))
2.700 0.900 0.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.43986E-02 ppm1 4.399 ppm2 2.612 CV 1
ASSI { 405}
(( segid "PAH2" and resid 351 and name HD1 ))
(( segid "PAH2" and resid 350 and name HA ))
2.000 0.500 0.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.11994E-01 ppm1 4.529 ppm2 3.719 CV 1
ASSI { 406}
(( segid "PAH2" and resid 350 and name HB ))
(( segid "PAH2" and resid 350 and name HA ))
2.600 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.44832E-02 ppm1 4.529 ppm2 3.851 CV 1
ASSI { 407}
(( segid "PAH2" and resid 351 and name HG1 ))
(( segid "PAH2" and resid 350 and name HA ))
5.300 3.500 0.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.48892E-03 ppm1 4.526 ppm2 2.072 CV 1
ASSI { 408}
(( segid "PAH2" and resid 351 and name HG2 ))
(( segid "PAH2" and resid 350 and name HA ))
5.100 3.300 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.70713E-03 ppm1 4.526 ppm2 1.930 CV 1
ASSI { 412}
(( segid "PAH2" and resid 379 and name HB1 ))
(( segid "PAH2" and resid 379 and name HA ))
3.300 1.400 1.400 peak 412 spectrum 1 weight 0.10000E+01 volume 0.91525E-03 ppm1 4.324 ppm2 3.008 CV 1
ASSI { 413}
(( segid "PAH2" and resid 379 and name HB2 ))
(( segid "PAH2" and resid 379 and name HA ))
3.800 1.800 1.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.87969E-03 ppm1 4.329 ppm2 2.668 CV 1
ASSI { 415}
(( segid "PAH2" and resid 341 and name HB1 ))
(( segid "PAH2" and resid 338 and name HA ))
3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.21316E-02 ppm1 4.138 ppm2 2.729 CV 1
ASSI { 417}
(( segid "PAH2" and resid 306 and name HB2 ))
(( segid "PAH2" and resid 306 and name HB1 ))
1.900 0.400 0.400 peak 417 spectrum 1 weight 0.10000E+01 volume 0.11030E-01 ppm1 3.578 ppm2 3.469 CV 1
ASSI { 421}
(( segid "PAH2" and resid 333 and name HB2 ))
(( segid "PAH2" and resid 333 and name HB1 ))
2.000 0.500 0.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.75281E-02 ppm1 3.265 ppm2 2.967 CV 1
ASSI { 425}
(( segid "PAH2" and resid 330 and name HA ))
(( segid "PAH2" and resid 333 and name HB1 ))
2.900 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.16478E-02 ppm1 3.266 ppm2 4.112 CV 1
ASSI { 429}
( segid "PAH2" and resid 354 and name HG2%)
(( segid "PAH2" and resid 356 and name HA ))
4.500 2.600 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.73928E-03 ppm1 4.094 ppm2 1.285 CV 1
ASSI { 432}
(( segid "PAH2" and resid 319 and name HB1 ))
(( segid "PAH2" and resid 319 and name HA ))
2.300 0.600 0.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.18440E-01 ppm1 4.074 ppm2 2.258 CV 1
ASSI { 436}
(( segid "PAH2" and resid 361 and name HG1 ))
(( segid "PAH2" and resid 361 and name HA ))
3.500 1.500 1.500 peak 436 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 3.949 ppm2 2.714 CV 1
ASSI { 438}
(( segid "PAH2" and resid 336 and name HG1 ))
(( segid "PAH2" and resid 336 and name HA ))
3.200 1.300 1.300 peak 438 spectrum 1 weight 0.10000E+01 volume 0.19962E-02 ppm1 3.971 ppm2 2.543 CV 1
ASSI { 443}
(( segid "PAH2" and resid 367 and name HG2 ))
(( segid "PAH2" and resid 367 and name HA ))
2.700 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.42125E-02 ppm1 4.047 ppm2 1.487 CV 1
OR { 443}
(( segid "PAH2" and resid 367 and name HG1 ))
(( segid "PAH2" and resid 367 and name HA ))
ASSI { 444}
( segid "PAH2" and resid 363 and name HB% )
(( segid "PAH2" and resid 364 and name HA ))
4.500 2.500 1.500 peak 444 spectrum 1 weight 0.10000E+01 volume 0.35527E-03 ppm1 4.046 ppm2 1.212 CV 1
ASSI { 450}
(( segid "PAH2" and resid 337 and name HB2 ))
(( segid "PAH2" and resid 337 and name HA ))
2.100 0.500 0.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.17763E-01 ppm1 3.904 ppm2 1.862 CV 1
OR { 450}
(( segid "PAH2" and resid 337 and name HB1 ))
(( segid "PAH2" and resid 337 and name HA ))
ASSI { 452}
(( segid "PAH2" and resid 337 and name HG2 ))
(( segid "PAH2" and resid 337 and name HA ))
3.500 1.500 1.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 3.900 ppm2 1.383 CV 1
ASSI { 453}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 326 and name HA ))
2.500 0.800 0.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.57181E-02 ppm1 3.721 ppm2 1.871 CV 1
OR { 453}
(( segid "PAH2" and resid 326 and name HB1 ))
(( segid "PAH2" and resid 326 and name HA ))
ASSI { 455}
(( segid "PAH2" and resid 326 and name HG2 ))
(( segid "PAH2" and resid 326 and name HA ))
3.300 1.300 1.300 peak 455 spectrum 1 weight 0.10000E+01 volume 0.12722E-02 ppm1 3.724 ppm2 1.411 CV 1
ASSI { 456}
(( segid "PAH2" and resid 329 and name HB1 ))
(( segid "PAH2" and resid 326 and name HA ))
3.000 1.100 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 3.721 ppm2 1.759 CV 1
ASSI { 457}
( segid "PAH2" and resid 329 and name HD2%)
(( segid "PAH2" and resid 326 and name HA ))
3.400 1.500 1.500 peak 457 spectrum 1 weight 0.10000E+01 volume 0.13855E-02 ppm1 3.721 ppm2 0.618 CV 1
ASSI { 458}
(( segid "PAH2" and resid 315 and name HG1 ))
(( segid "PAH2" and resid 315 and name HA ))
2.800 1.000 1.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.32312E-02 ppm1 3.082 ppm2 0.803 CV 1
ASSI { 459}
(( segid "PAH2" and resid 315 and name HB2 ))
(( segid "PAH2" and resid 315 and name HA ))
3.000 1.100 1.100 peak 459 spectrum 1 weight 0.10000E+01 volume 0.24023E-02 ppm1 3.083 ppm2 1.405 CV 1
ASSI { 460}
(( segid "PAH2" and resid 315 and name HB1 ))
(( segid "PAH2" and resid 315 and name HA ))
3.400 1.500 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.86448E-03 ppm1 3.082 ppm2 1.638 CV 1
ASSI { 461}
(( segid "PAH2" and resid 316 and name HB1 ))
(( segid "PAH2" and resid 313 and name HA ))
2.700 0.900 0.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.26222E-02 ppm1 3.984 ppm2 2.739 CV 1
ASSI { 462}
(( segid "PAH2" and resid 313 and name HB1 ))
(( segid "PAH2" and resid 313 and name HA ))
2.500 0.800 0.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.10963E-01 ppm1 3.986 ppm2 1.965 CV 1
ASSI { 463}
(( segid "PAH2" and resid 373 and name HB2 ))
(( segid "PAH2" and resid 370 and name HA ))
2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.27576E-02 ppm1 4.002 ppm2 1.722 CV 1
ASSI { 464}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 313 and name HA ))
2.500 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.39249E-02 ppm1 3.983 ppm2 1.569 CV 1
ASSI { 465}
(( segid "PAH2" and resid 313 and name HG2 ))
(( segid "PAH2" and resid 313 and name HA ))
3.700 1.700 1.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.11622E-02 ppm1 3.985 ppm2 1.163 CV 1
ASSI { 466}
(( segid "PAH2" and resid 316 and name HB2 ))
(( segid "PAH2" and resid 313 and name HA ))
3.400 1.500 1.500 peak 466 spectrum 1 weight 0.10000E+01 volume 0.23346E-02 ppm1 3.983 ppm2 2.683 CV 1
ASSI { 468}
(( segid "PAH2" and resid 385 and name HB2 ))
(( segid "PAH2" and resid 385 and name HA ))
3.000 1.200 1.200 peak 468 spectrum 1 weight 0.10000E+01 volume 0.23684E-02 ppm1 4.226 ppm2 3.825 CV 1
OR { 468}
(( segid "PAH2" and resid 385 and name HB1 ))
(( segid "PAH2" and resid 385 and name HA ))
ASSI { 469}
( segid "PAH2" and resid 354 and name HG2%)
(( segid "PAH2" and resid 354 and name HA ))
2.700 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 4.732 ppm2 1.335 CV 1
ASSI { 474}
( segid "PAH2" and resid 331 and name HD1%)
(( segid "PAH2" and resid 328 and name HA ))
2.600 0.900 0.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.31297E-02 ppm1 3.897 ppm2 0.731 CV 1
ASSI { 475}
(( segid "PAH2" and resid 331 and name HB ))
(( segid "PAH2" and resid 328 and name HA ))
3.300 1.300 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.11791E-02 ppm1 3.901 ppm2 1.812 CV 1
OR { 475}
(( segid "PAH2" and resid 331 and name HG11))
(( segid "PAH2" and resid 328 and name HA ))
ASSI { 476}
(( segid "PAH2" and resid 328 and name HB2 ))
(( segid "PAH2" and resid 328 and name HA ))
2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.16461E-02 ppm1 3.890 ppm2 3.013 CV 1
ASSI { 477}
(( segid "PAH2" and resid 328 and name HB1 ))
(( segid "PAH2" and resid 328 and name HA ))
3.700 1.700 1.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.98459E-03 ppm1 3.889 ppm2 3.412 CV 1
ASSI { 478}
( segid "PAH2" and resid 328 and name HD% )
(( segid "PAH2" and resid 328 and name HA ))
3.000 1.200 1.200 peak 478 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 3.895 ppm2 -1.144 CV 1
ASSI { 480}
(( segid "PAH2" and resid 355 and name HG2 ))
(( segid "PAH2" and resid 355 and name HA ))
3.200 1.300 1.300 peak 480 spectrum 1 weight 0.10000E+01 volume 0.19117E-02 ppm1 3.607 ppm2 2.105 CV 1
ASSI { 481}
(( segid "PAH2" and resid 355 and name HB1 ))
(( segid "PAH2" and resid 355 and name HA ))
3.100 1.200 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 3.604 ppm2 2.027 CV 1
ASSI { 482}
(( segid "PAH2" and resid 355 and name HB2 ))
(( segid "PAH2" and resid 355 and name HA ))
3.200 1.300 1.300 peak 482 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 3.603 ppm2 1.794 CV 1
ASSI { 483}
( segid "PAH2" and resid 358 and name HG1%)
(( segid "PAH2" and resid 355 and name HA ))
4.300 2.300 1.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.70036E-03 ppm1 3.601 ppm2 0.941 CV 1
ASSI { 484}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 355 and name HA ))
3.900 1.900 1.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.16918E-03 ppm1 3.595 ppm2 0.495 CV 1
OR { 484}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 355 and name HA ))
ASSI { 486}
(( segid "PAH2" and resid 370 and name HG1 ))
(( segid "PAH2" and resid 370 and name HA ))
3.300 1.300 1.300 peak 486 spectrum 1 weight 0.10000E+01 volume 0.24023E-02 ppm1 4.003 ppm2 2.426 CV 1
OR { 486}
(( segid "PAH2" and resid 370 and name HG2 ))
(( segid "PAH2" and resid 370 and name HA ))
ASSI { 487}
(( segid "PAH2" and resid 325 and name HB2 ))
(( segid "PAH2" and resid 325 and name HA ))
2.800 1.000 1.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.26391E-02 ppm1 4.181 ppm2 3.142 CV 1
OR { 487}
(( segid "PAH2" and resid 325 and name HB1 ))
(( segid "PAH2" and resid 325 and name HA ))
ASSI { 488}
(( segid "PAH2" and resid 328 and name HB1 ))
(( segid "PAH2" and resid 325 and name HA ))
3.300 1.300 1.300 peak 488 spectrum 1 weight 0.10000E+01 volume 0.73252E-03 ppm1 4.182 ppm2 3.395 CV 1
ASSI { 489}
(( segid "PAH2" and resid 315 and name HA ))
(( segid "PAH2" and resid 325 and name HA ))
4.100 2.100 1.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.80359E-03 ppm1 4.180 ppm2 3.049 CV 1
ASSI { 491}
( segid "PAH2" and resid 324 and name HG2%)
(( segid "PAH2" and resid 325 and name HA ))
4.300 2.300 1.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.25545E-03 ppm1 4.183 ppm2 0.025 CV 1
ASSI { 492}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 325 and name HA ))
2.900 1.000 1.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.25884E-02 ppm1 4.182 ppm2 -0.928 CV 1
ASSI { 494}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 310 and name HA ))
2.800 0.900 0.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.27744E-02 ppm1 4.419 ppm2 -1.038 CV 1
ASSI { 495}
( segid "PAH2" and resid 304 and name HD% )
(( segid "PAH2" and resid 304 and name HA ))
3.100 1.200 1.200 peak 495 spectrum 1 weight 0.10000E+01 volume 0.16900E-02 ppm1 4.355 ppm2 -0.783 CV 1
ASSI { 496}
( segid "PAH2" and resid 307 and name HB% )
(( segid "PAH2" and resid 304 and name HA ))
3.000 1.200 1.200 peak 496 spectrum 1 weight 0.10000E+01 volume 0.16055E-02 ppm1 4.356 ppm2 1.401 CV 1
ASSI { 498}
(( segid "PAH2" and resid 304 and name HB1 ))
(( segid "PAH2" and resid 304 and name HA ))
3.000 1.100 1.100 peak 498 spectrum 1 weight 0.10000E+01 volume 0.33835E-02 ppm1 4.358 ppm2 3.196 CV 1
ASSI { 499}
(( segid "PAH2" and resid 374 and name HB2 ))
(( segid "PAH2" and resid 374 and name HA ))
2.300 0.600 0.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.12621E-01 ppm1 4.342 ppm2 4.092 CV 1
OR { 499}
(( segid "PAH2" and resid 374 and name HB1 ))
(( segid "PAH2" and resid 374 and name HA ))
ASSI { 500}
(( segid "PAH2" and resid 310 and name HB1 ))
(( segid "PAH2" and resid 310 and name HA ))
3.300 1.400 1.400 peak 500 spectrum 1 weight 0.10000E+01 volume 0.17256E-02 ppm1 4.420 ppm2 3.328 CV 1
ASSI { 501}
(( segid "PAH2" and resid 310 and name HB2 ))
(( segid "PAH2" and resid 310 and name HA ))
2.800 1.000 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.18440E-02 ppm1 4.425 ppm2 2.940 CV 1
ASSI { 502}
(( segid "PAH2" and resid 313 and name HB1 ))
(( segid "PAH2" and resid 310 and name HA ))
2.800 1.000 1.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.16664E-02 ppm1 4.430 ppm2 1.968 CV 1
ASSI { 507}
( segid "PAH2" and resid 379 and name HD% )
(( segid "PAH2" and resid 376 and name HA ))
2.600 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.25376E-02 ppm1 4.251 ppm2 -0.848 CV 1
ASSI { 508}
(( segid "PAH2" and resid 376 and name HB2 ))
(( segid "PAH2" and resid 376 and name HA ))
3.200 1.300 1.300 peak 508 spectrum 1 weight 0.10000E+01 volume 0.63438E-03 ppm1 4.255 ppm2 3.413 CV 1
ASSI { 512}
(( segid "PAH2" and resid 359 and name HB1 ))
(( segid "PAH2" and resid 359 and name HA ))
3.600 1.600 1.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.12570E-02 ppm1 3.827 ppm2 3.265 CV 1
ASSI { 513}
(( segid "PAH2" and resid 359 and name HB2 ))
(( segid "PAH2" and resid 359 and name HA ))
2.900 1.100 1.100 peak 513 spectrum 1 weight 0.10000E+01 volume 0.16038E-02 ppm1 3.829 ppm2 2.991 CV 1
ASSI { 514}
(( segid "PAH2" and resid 335 and name HB2 ))
(( segid "PAH2" and resid 335 and name HA ))
3.100 1.200 1.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.11352E-02 ppm1 4.026 ppm2 2.986 CV 1
ASSI { 515}
(( segid "PAH2" and resid 335 and name HB1 ))
(( segid "PAH2" and resid 335 and name HA ))
3.700 1.700 1.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.93891E-03 ppm1 4.037 ppm2 3.264 CV 1
ASSI { 516}
(( segid "PAH2" and resid 338 and name HB2 ))
(( segid "PAH2" and resid 335 and name HA ))
3.100 1.200 1.200 peak 516 spectrum 1 weight 0.10000E+01 volume 0.16596E-02 ppm1 4.037 ppm2 2.177 CV 1
OR { 516}
(( segid "PAH2" and resid 338 and name HB1 ))
(( segid "PAH2" and resid 335 and name HA ))
ASSI { 517}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 335 and name HA ))
3.200 1.300 1.300 peak 517 spectrum 1 weight 0.10000E+01 volume 0.15192E-02 ppm1 4.030 ppm2 0.929 CV 1
OR { 517}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 335 and name HA ))
ASSI { 518}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 335 and name HA ))
3.400 1.400 1.400 peak 518 spectrum 1 weight 0.10000E+01 volume 0.10100E-02 ppm1 4.029 ppm2 -1.145 CV 1
ASSI { 519}
(( segid "PAH2" and resid 356 and name HA ))
(( segid "PAH2" and resid 359 and name HA ))
4.400 2.400 1.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.76299E-03 ppm1 3.820 ppm2 4.082 CV 1
ASSI { 524}
(( segid "PAH2" and resid 351 and name HB1 ))
(( segid "PAH2" and resid 351 and name HA ))
2.400 0.700 0.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.45677E-02 ppm1 4.351 ppm2 2.316 CV 1
ASSI { 525}
(( segid "PAH2" and resid 351 and name HB2 ))
(( segid "PAH2" and resid 351 and name HA ))
3.000 1.100 1.100 peak 525 spectrum 1 weight 0.10000E+01 volume 0.35188E-02 ppm1 4.349 ppm2 1.881 CV 1
ASSI { 528}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 351 and name HA ))
4.100 2.100 1.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.32482E-03 ppm1 4.346 ppm2 1.428 CV 1
ASSI { 532}
(( segid "PAH2" and resid 381 and name HB1 ))
(( segid "PAH2" and resid 381 and name HA ))
2.400 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.52106E-02 ppm1 4.460 ppm2 2.233 CV 1
ASSI { 533}
(( segid "PAH2" and resid 381 and name HB2 ))
(( segid "PAH2" and resid 381 and name HA ))
3.100 1.200 1.200 peak 533 spectrum 1 weight 0.10000E+01 volume 0.36373E-02 ppm1 4.461 ppm2 1.873 CV 1
OR { 533}
(( segid "PAH2" and resid 381 and name HG1 ))
(( segid "PAH2" and resid 381 and name HA ))
ASSI { 534}
(( segid "PAH2" and resid 295 and name HA ))
(( segid "PAH2" and resid 295 and name HB1 ))
2.700 0.900 0.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.49907E-02 ppm1 3.882 ppm2 4.374 CV 1
OR { 534}
(( segid "PAH2" and resid 295 and name HA ))
(( segid "PAH2" and resid 295 and name HB2 ))
ASSI { 544}
( segid "PAH2" and resid 324 and name HG2%)
(( segid "PAH2" and resid 324 and name HA ))
2.700 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.32989E-02 ppm1 3.719 ppm2 0.025 CV 1
ASSI { 545}
(( segid "PAH2" and resid 311 and name HB ))
(( segid "PAH2" and resid 308 and name HA ))
3.500 1.500 1.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.54643E-03 ppm1 3.436 ppm2 2.212 CV 1
ASSI { 546}
( segid "PAH2" and resid 311 and name HG2%)
(( segid "PAH2" and resid 308 and name HA ))
3.400 1.500 1.500 peak 546 spectrum 1 weight 0.10000E+01 volume 0.10827E-02 ppm1 3.439 ppm2 1.084 CV 1
OR { 546}
( segid "PAH2" and resid 311 and name HG1%)
(( segid "PAH2" and resid 308 and name HA ))
ASSI { 547}
( segid "PAH2" and resid 308 and name HG2%)
(( segid "PAH2" and resid 308 and name HA ))
2.800 1.000 1.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.28591E-02 ppm1 3.442 ppm2 0.811 CV 1
OR { 547}
(( segid "PAH2" and resid 308 and name HG12))
(( segid "PAH2" and resid 308 and name HA ))
ASSI { 549}
(( segid "PAH2" and resid 308 and name HB ))
(( segid "PAH2" and resid 308 and name HA ))
3.900 1.900 1.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.40940E-03 ppm1 3.440 ppm2 1.861 CV 1
ASSI { 550}
(( segid "PAH2" and resid 301 and name HB1 ))
(( segid "PAH2" and resid 301 and name HA ))
2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.53797E-02 ppm1 4.497 ppm2 2.408 CV 1
ASSI { 551}
(( segid "PAH2" and resid 301 and name HB2 ))
(( segid "PAH2" and resid 301 and name HA ))
2.900 1.100 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.47369E-02 ppm1 4.498 ppm2 2.031 CV 1
OR { 551}
(( segid "PAH2" and resid 301 and name HG1 ))
(( segid "PAH2" and resid 301 and name HA ))
ASSI { 552}
(( segid "PAH2" and resid 304 and name HB1 ))
(( segid "PAH2" and resid 301 and name HA ))
3.600 1.600 1.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.73760E-03 ppm1 4.498 ppm2 3.183 CV 1
OR { 552}
(( segid "PAH2" and resid 304 and name HB2 ))
(( segid "PAH2" and resid 301 and name HA ))
ASSI { 553}
(( segid "PAH2" and resid 301 and name HD2 ))
(( segid "PAH2" and resid 301 and name HA ))
4.200 2.200 1.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.55151E-03 ppm1 4.492 ppm2 3.666 CV 1
OR { 553}
(( segid "PAH2" and resid 301 and name HD1 ))
(( segid "PAH2" and resid 301 and name HA ))
ASSI { 558}
(( segid "PAH2" and resid 305 and name HB2 ))
(( segid "PAH2" and resid 302 and name HA ))
3.800 1.800 1.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.51937E-03 ppm1 3.898 ppm2 2.821 CV 1
ASSI { 559}
(( segid "PAH2" and resid 305 and name HB1 ))
(( segid "PAH2" and resid 302 and name HA ))
4.200 2.200 1.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.37388E-03 ppm1 3.899 ppm2 2.950 CV 1
ASSI { 561}
(( segid "PAH2" and resid 322 and name HB1 ))
(( segid "PAH2" and resid 322 and name HA ))
2.400 0.700 0.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.50583E-02 ppm1 4.489 ppm2 2.457 CV 1
ASSI { 562}
(( segid "PAH2" and resid 322 and name HB2 ))
(( segid "PAH2" and resid 322 and name HA ))
2.800 1.000 1.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.46523E-02 ppm1 4.491 ppm2 2.153 CV 1
ASSI { 563}
(( segid "PAH2" and resid 325 and name HB1 ))
(( segid "PAH2" and resid 322 and name HA ))
3.300 1.400 1.400 peak 563 spectrum 1 weight 0.10000E+01 volume 0.88478E-03 ppm1 4.492 ppm2 3.157 CV 1
ASSI { 564}
(( segid "PAH2" and resid 322 and name HD2 ))
(( segid "PAH2" and resid 322 and name HA ))
4.900 3.000 1.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.24192E-03 ppm1 4.490 ppm2 3.466 CV 1
ASSI { 568}
(( segid "PAH2" and resid 314 and name HG11))
(( segid "PAH2" and resid 314 and name HA ))
3.500 1.500 1.500 peak 568 spectrum 1 weight 0.10000E+01 volume 0.10472E-02 ppm1 3.171 ppm2 1.049 CV 1
ASSI { 570}
(( segid "PAH2" and resid 314 and name HG12))
(( segid "PAH2" and resid 314 and name HA ))
3.200 1.300 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.69869E-03 ppm1 3.169 ppm2 0.419 CV 1
ASSI { 571}
( segid "PAH2" and resid 372 and name HD2%)
(( segid "PAH2" and resid 314 and name HA ))
3.400 1.500 1.500 peak 571 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 3.175 ppm2 0.236 CV 1
ASSI { 573}
(( segid "PAH2" and resid 331 and name HB ))
(( segid "PAH2" and resid 331 and name HA ))
3.100 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.20808E-02 ppm1 3.735 ppm2 1.806 CV 1
OR { 573}
(( segid "PAH2" and resid 331 and name HG11))
(( segid "PAH2" and resid 331 and name HA ))
ASSI { 574}
(( segid "PAH2" and resid 331 and name HG12))
(( segid "PAH2" and resid 331 and name HA ))
2.800 1.000 1.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.24023E-02 ppm1 3.743 ppm2 1.047 CV 1
ASSI { 575}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 331 and name HA ))
2.700 0.900 0.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.32989E-02 ppm1 3.737 ppm2 0.838 CV 1
ASSI { 577}
(( segid "PAH2" and resid 334 and name HB ))
(( segid "PAH2" and resid 331 and name HA ))
3.000 1.100 1.100 peak 577 spectrum 1 weight 0.10000E+01 volume 0.16123E-02 ppm1 3.735 ppm2 4.379 CV 1
ASSI { 581}
( segid "PAH2" and resid 311 and name HG2%)
(( segid "PAH2" and resid 311 and name HA ))
2.400 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.67162E-02 ppm1 3.429 ppm2 1.085 CV 1
OR { 581}
( segid "PAH2" and resid 311 and name HG1%)
(( segid "PAH2" and resid 311 and name HA ))
ASSI { 582}
( segid "PAH2" and resid 358 and name HG1%)
(( segid "PAH2" and resid 358 and name HA ))
2.500 0.800 0.800 peak 582 spectrum 1 weight 0.10000E+01 volume 0.62085E-02 ppm1 3.419 ppm2 0.942 CV 1
ASSI { 584}
(( segid "PAH2" and resid 314 and name HB ))
(( segid "PAH2" and resid 311 and name HA ))
3.200 1.300 1.300 peak 584 spectrum 1 weight 0.10000E+01 volume 0.12383E-02 ppm1 3.436 ppm2 1.866 CV 1
ASSI { 589}
(( segid "PAH2" and resid 337 and name HE1 ))
(( segid "PAH2" and resid 334 and name HB ))
4.800 2.900 1.200 peak 589 spectrum 1 weight 0.10000E+01 volume 0.24192E-03 ppm1 4.380 ppm2 2.843 CV 1
ASSI { 591}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 334 and name HB ))
3.200 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.15496E-02 ppm1 4.377 ppm2 0.931 CV 1
OR { 591}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 334 and name HB ))
ASSI { 592}
(( segid "PAH2" and resid 318 and name HB2 ))
(( segid "PAH2" and resid 318 and name HB1 ))
2.200 0.600 0.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.41279E-02 ppm1 3.918 ppm2 2.474 CV 1
ASSI { 596}
( segid "PAH2" and resid 376 and name HD% )
(( segid "PAH2" and resid 376 and name HB1 ))
3.100 1.200 1.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.88987E-03 ppm1 4.101 ppm2 -0.540 CV 1
ASSI { 601}
(( segid "PAH2" and resid 380 and name HA ))
( segid "PAH2" and resid 380 and name HD2%)
3.400 1.500 1.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.26222E-02 ppm1 0.477 ppm2 4.531 CV 1
ASSI { 604}
(( segid "PAH2" and resid 381 and name HD2 ))
( segid "PAH2" and resid 380 and name HD2%)
2.800 2.800 3.200 peak 604 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 0.480 ppm2 3.358 CV 1
ASSI { 607}
(( segid "PAH2" and resid 355 and name HG2 ))
( segid "PAH2" and resid 380 and name HD2%)
3.500 1.500 1.500 peak 607 spectrum 1 weight 0.10000E+01 volume 0.10946E-02 ppm1 0.476 ppm2 2.096 CV 1
ASSI { 611}
(( segid "PAH2" and resid 380 and name HB1 ))
( segid "PAH2" and resid 380 and name HD2%)
2.500 0.800 0.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.48046E-02 ppm1 0.477 ppm2 1.473 CV 1
ASSI { 612}
(( segid "PAH2" and resid 380 and name HG ))
( segid "PAH2" and resid 380 and name HD2%)
2.400 0.700 0.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.73593E-02 ppm1 0.479 ppm2 1.275 CV 1
ASSI { 613}
(( segid "PAH2" and resid 380 and name HB2 ))
( segid "PAH2" and resid 380 and name HD2%)
2.400 0.700 0.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.12604E-01 ppm1 0.481 ppm2 0.989 CV 1
ASSI { 616}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 380 and name HD2%)
3.000 1.100 1.100 peak 616 spectrum 1 weight 0.10000E+01 volume 0.21485E-02 ppm1 0.477 ppm2 -0.926 CV 1
ASSI { 618}
( segid "PAH2" and resid 335 and name HE% )
( segid "PAH2" and resid 380 and name HD2%)
4.900 3.000 1.100 peak 618 spectrum 1 weight 0.10000E+01 volume 0.21316E-03 ppm1 0.477 ppm2 -1.278 CV 1
ASSI { 619}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 337 and name HG1 ))
3.000 1.200 1.200 peak 619 spectrum 1 weight 0.10000E+01 volume 0.19962E-02 ppm1 1.441 ppm2 3.907 CV 1
ASSI { 623}
(( segid "PAH2" and resid 380 and name HA ))
( segid "PAH2" and resid 380 and name HD1%)
3.500 1.500 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.16529E-02 ppm1 0.514 ppm2 4.532 CV 1
ASSI { 624}
( segid "PAH2" and resid 324 and name HG2%)
( segid "PAH2" and resid 365 and name HD1%)
3.200 1.300 1.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.14752E-02 ppm1 0.809 ppm2 0.024 CV 1
ASSI { 628}
(( segid "PAH2" and resid 365 and name HB2 ))
( segid "PAH2" and resid 365 and name HD1%)
2.500 0.800 0.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.46693E-02 ppm1 0.807 ppm2 1.328 CV 1
ASSI { 629}
(( segid "PAH2" and resid 315 and name HE1 ))
(( segid "PAH2" and resid 315 and name HG1 ))
3.200 1.300 1.300 peak 629 spectrum 1 weight 0.10000E+01 volume 0.19117E-02 ppm1 0.800 ppm2 2.842 CV 1
OR { 629}
(( segid "PAH2" and resid 315 and name HE2 ))
(( segid "PAH2" and resid 315 and name HG1 ))
ASSI { 632}
(( segid "PAH2" and resid 365 and name HA ))
( segid "PAH2" and resid 365 and name HD1%)
3.100 1.200 1.200 peak 632 spectrum 1 weight 0.10000E+01 volume 0.26222E-02 ppm1 0.809 ppm2 4.033 CV 1
ASSI { 633}
(( segid "PAH2" and resid 328 and name HA ))
( segid "PAH2" and resid 365 and name HD1%)
3.600 1.600 1.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.10489E-02 ppm1 0.809 ppm2 3.895 CV 1
ASSI { 634}
(( segid "PAH2" and resid 324 and name HA ))
( segid "PAH2" and resid 365 and name HD1%)
3.700 1.700 1.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.75623E-03 ppm1 0.809 ppm2 3.711 CV 1
ASSI { 635}
(( segid "PAH2" and resid 353 and name HA ))
( segid "PAH2" and resid 353 and name HD1%)
2.800 1.000 1.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.42632E-02 ppm1 0.945 ppm2 4.670 CV 1
ASSI { 639}
(( segid "PAH2" and resid 358 and name HA ))
( segid "PAH2" and resid 353 and name HD1%)
3.700 1.700 1.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.68007E-03 ppm1 0.944 ppm2 3.415 CV 1
ASSI { 640}
(( segid "PAH2" and resid 335 and name HB1 ))
( segid "PAH2" and resid 353 and name HD1%)
5.100 3.300 0.900 peak 640 spectrum 1 weight 0.10000E+01 volume 0.31297E-03 ppm1 0.949 ppm2 3.264 CV 1
ASSI { 641}
(( segid "PAH2" and resid 335 and name HB2 ))
( segid "PAH2" and resid 353 and name HD1%)
3.800 1.800 1.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.74437E-03 ppm1 0.945 ppm2 2.992 CV 1
ASSI { 643}
(( segid "PAH2" and resid 357 and name HB1 ))
( segid "PAH2" and resid 353 and name HD1%)
2.600 0.800 0.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.57689E-02 ppm1 0.945 ppm2 2.346 CV 1
OR { 643}
(( segid "PAH2" and resid 357 and name HG2 ))
( segid "PAH2" and resid 353 and name HD1%)
OR { 643}
(( segid "PAH2" and resid 357 and name HG1 ))
( segid "PAH2" and resid 353 and name HD1%)
ASSI { 644}
(( segid "PAH2" and resid 373 and name HB1 ))
( segid "PAH2" and resid 373 and name HD1%)
2.700 0.900 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.59378E-02 ppm1 0.991 ppm2 2.150 CV 1
ASSI { 647}
(( segid "PAH2" and resid 353 and name HB2 ))
( segid "PAH2" and resid 353 and name HD1%)
2.500 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.53797E-02 ppm1 0.945 ppm2 1.557 CV 1
ASSI { 648}
( segid "PAH2" and resid 334 and name HG2%)
( segid "PAH2" and resid 353 and name HD1%)
2.600 0.800 0.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.61408E-02 ppm1 0.945 ppm2 1.270 CV 1
ASSI { 649}
( segid "PAH2" and resid 363 and name HB% )
( segid "PAH2" and resid 373 and name HD1%)
2.400 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.10506E-01 ppm1 0.991 ppm2 1.216 CV 1
ASSI { 652}
(( segid "PAH2" and resid 296 and name HA ))
( segid "PAH2" and resid 296 and name HD1%)
4.100 2.100 1.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.51091E-03 ppm1 0.885 ppm2 4.283 CV 1
ASSI { 660}
(( segid "PAH2" and resid 296 and name HB2 ))
( segid "PAH2" and resid 296 and name HD1%)
2.900 1.100 1.100 peak 660 spectrum 1 weight 0.10000E+01 volume 0.40433E-02 ppm1 0.881 ppm2 1.491 CV 1
ASSI { 663}
(( segid "PAH2" and resid 343 and name HA ))
(( segid "PAH2" and resid 343 and name HG2 ))
3.300 1.400 1.400 peak 663 spectrum 1 weight 0.10000E+01 volume 0.15378E-02 ppm1 1.456 ppm2 4.114 CV 1
ASSI { 666}
(( segid "PAH2" and resid 337 and name HE1 ))
(( segid "PAH2" and resid 337 and name HG2 ))
4.100 2.100 1.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.53459E-03 ppm1 1.374 ppm2 2.841 CV 1
ASSI { 668}
(( segid "PAH2" and resid 343 and name HE2 ))
(( segid "PAH2" and resid 343 and name HG2 ))
3.400 1.400 1.400 peak 668 spectrum 1 weight 0.10000E+01 volume 0.13026E-02 ppm1 1.450 ppm2 2.985 CV 1
OR { 668}
(( segid "PAH2" and resid 343 and name HE1 ))
(( segid "PAH2" and resid 343 and name HG2 ))
ASSI { 672}
(( segid "PAH2" and resid 326 and name HA ))
(( segid "PAH2" and resid 326 and name HG1 ))
3.400 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.10032E-02 ppm1 1.588 ppm2 3.727 CV 1
ASSI { 675}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 326 and name HG2 ))
2.200 0.600 0.600 peak 675 spectrum 1 weight 0.10000E+01 volume 0.13365E-01 ppm1 1.402 ppm2 1.870 CV 1
OR { 675}
(( segid "PAH2" and resid 326 and name HB1 ))
(( segid "PAH2" and resid 326 and name HG2 ))
ASSI { 677}
(( segid "PAH2" and resid 337 and name HB1 ))
(( segid "PAH2" and resid 337 and name HG2 ))
2.500 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.54305E-02 ppm1 1.371 ppm2 1.855 CV 1
OR { 677}
(( segid "PAH2" and resid 337 and name HB2 ))
(( segid "PAH2" and resid 337 and name HG2 ))
ASSI { 678}
(( segid "PAH2" and resid 337 and name HD2 ))
(( segid "PAH2" and resid 337 and name HG2 ))
2.100 0.500 0.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.16816E-01 ppm1 1.373 ppm2 1.561 CV 1
OR { 678}
(( segid "PAH2" and resid 337 and name HD1 ))
(( segid "PAH2" and resid 337 and name HG2 ))
ASSI { 679}
(( segid "PAH2" and resid 337 and name HG1 ))
(( segid "PAH2" and resid 337 and name HG2 ))
1.500 0.300 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.35188E-01 ppm1 1.374 ppm2 1.459 CV 1
ASSI { 680}
(( segid "PAH2" and resid 343 and name HB2 ))
(( segid "PAH2" and resid 343 and name HG2 ))
2.100 0.600 0.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.14295E-01 ppm1 1.456 ppm2 1.928 CV 1
OR { 680}
(( segid "PAH2" and resid 343 and name HB1 ))
(( segid "PAH2" and resid 343 and name HG2 ))
ASSI { 684}
(( segid "PAH2" and resid 337 and name HE1 ))
(( segid "PAH2" and resid 337 and name HG1 ))
4.200 2.200 1.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.46354E-03 ppm1 1.474 ppm2 2.855 CV 1
ASSI { 687}
(( segid "PAH2" and resid 373 and name HA ))
( segid "PAH2" and resid 373 and name HD1%)
3.400 1.500 1.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.12654E-02 ppm1 0.991 ppm2 4.451 CV 1
ASSI { 690}
(( segid "PAH2" and resid 366 and name HB2 ))
( segid "PAH2" and resid 373 and name HD1%)
3.600 1.600 1.600 peak 690 spectrum 1 weight 0.10000E+01 volume 0.79341E-03 ppm1 0.989 ppm2 2.921 CV 1
ASSI { 691}
(( segid "PAH2" and resid 373 and name HG ))
( segid "PAH2" and resid 373 and name HD1%)
2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.53290E-02 ppm1 0.992 ppm2 1.878 CV 1
ASSI { 692}
(( segid "PAH2" and resid 373 and name HB2 ))
( segid "PAH2" and resid 373 and name HD1%)
2.500 0.800 0.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.65300E-02 ppm1 0.990 ppm2 1.722 CV 1
ASSI { 693}
( segid "PAH2" and resid 373 and name HD2%)
( segid "PAH2" and resid 373 and name HD1%)
2.100 0.600 0.600 peak 693 spectrum 1 weight 0.10000E+01 volume 0.20301E-01 ppm1 0.991 ppm2 0.860 CV 1
ASSI { 694}
( segid "PAH2" and resid 362 and name HG2%)
( segid "PAH2" and resid 373 and name HD1%)
4.600 2.600 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.31297E-03 ppm1 0.991 ppm2 -0.388 CV 1
ASSI { 695}
( segid "PAH2" and resid 366 and name HD% )
( segid "PAH2" and resid 373 and name HD1%)
4.600 2.700 1.400 peak 695 spectrum 1 weight 0.10000E+01 volume 0.21823E-03 ppm1 0.989 ppm2 6.608 CV 1
ASSI { 696}
(( segid "PAH2" and resid 313 and name HG2 ))
(( segid "PAH2" and resid 313 and name HG1 ))
1.800 0.400 0.400 peak 696 spectrum 1 weight 0.10000E+01 volume 0.95417E-02 ppm1 1.565 ppm2 1.163 CV 1
ASSI { 698}
(( segid "PAH2" and resid 313 and name HD2 ))
(( segid "PAH2" and resid 313 and name HG2 ))
2.500 0.800 0.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.55151E-02 ppm1 1.160 ppm2 1.694 CV 1
OR { 698}
(( segid "PAH2" and resid 313 and name HD1 ))
(( segid "PAH2" and resid 313 and name HG2 ))
ASSI { 699}
(( segid "PAH2" and resid 313 and name HB1 ))
(( segid "PAH2" and resid 313 and name HG2 ))
2.500 0.800 0.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.30621E-02 ppm1 1.162 ppm2 1.957 CV 1
ASSI { 700}
(( segid "PAH2" and resid 326 and name HD1 ))
(( segid "PAH2" and resid 326 and name HG2 ))
1.900 0.500 0.500 peak 700 spectrum 1 weight 0.10000E+01 volume 0.23515E-01 ppm1 1.403 ppm2 1.689 CV 1
OR { 700}
(( segid "PAH2" and resid 326 and name HD2 ))
(( segid "PAH2" and resid 326 and name HG2 ))
ASSI { 704}
(( segid "PAH2" and resid 326 and name HG2 ))
(( segid "PAH2" and resid 326 and name HG1 ))
1.600 0.300 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.25884E-01 ppm1 1.590 ppm2 1.407 CV 1
ASSI { 705}
(( segid "PAH2" and resid 326 and name HE2 ))
(( segid "PAH2" and resid 326 and name HG2 ))
3.300 1.400 1.400 peak 705 spectrum 1 weight 0.10000E+01 volume 0.15463E-02 ppm1 1.401 ppm2 2.966 CV 1
OR { 705}
(( segid "PAH2" and resid 326 and name HE1 ))
(( segid "PAH2" and resid 326 and name HG2 ))
ASSI { 715}
( segid "PAH2" and resid 372 and name HD1%)
(( segid "PAH2" and resid 313 and name HG2 ))
3.100 1.200 1.200 peak 715 spectrum 1 weight 0.10000E+01 volume 0.85604E-03 ppm1 1.162 ppm2 0.539 CV 1
ASSI { 716}
( segid "PAH2" and resid 372 and name HD1%)
(( segid "PAH2" and resid 313 and name HG1 ))
3.200 1.300 1.300 peak 716 spectrum 1 weight 0.10000E+01 volume 0.50753E-03 ppm1 1.566 ppm2 0.541 CV 1
ASSI { 721}
(( segid "PAH2" and resid 315 and name HE1 ))
( segid "PAH2" and resid 329 and name HD2%)
4.100 2.100 1.900 peak 721 spectrum 1 weight 0.10000E+01 volume 0.51937E-03 ppm1 0.617 ppm2 2.863 CV 1
OR { 721}
(( segid "PAH2" and resid 315 and name HE2 ))
( segid "PAH2" and resid 329 and name HD2%)
ASSI { 723}
(( segid "PAH2" and resid 330 and name HG2 ))
( segid "PAH2" and resid 329 and name HD2%)
3.700 1.700 1.700 peak 723 spectrum 1 weight 0.10000E+01 volume 0.22162E-03 ppm1 0.610 ppm2 2.311 CV 1
OR { 723}
(( segid "PAH2" and resid 330 and name HG1 ))
( segid "PAH2" and resid 329 and name HD2%)
ASSI { 724}
(( segid "PAH2" and resid 329 and name HB1 ))
( segid "PAH2" and resid 329 and name HD2%)
2.700 0.900 0.900 peak 724 spectrum 1 weight 0.10000E+01 volume 0.34343E-02 ppm1 0.617 ppm2 1.797 CV 1
ASSI { 725}
(( segid "PAH2" and resid 329 and name HG ))
( segid "PAH2" and resid 329 and name HD2%)
2.400 0.700 0.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.67839E-02 ppm1 0.616 ppm2 1.426 CV 1
ASSI { 726}
(( segid "PAH2" and resid 329 and name HB2 ))
( segid "PAH2" and resid 329 and name HD2%)
2.900 1.100 1.100 peak 726 spectrum 1 weight 0.10000E+01 volume 0.34343E-02 ppm1 0.616 ppm2 1.103 CV 1
ASSI { 731}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 332 and name HD2%)
2.900 2.900 3.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.97615E-03 ppm1 0.383 ppm2 -0.806 CV 1
ASSI { 732}
( segid "PAH2" and resid 328 and name HE% )
( segid "PAH2" and resid 332 and name HD2%)
3.500 1.500 1.500 peak 732 spectrum 1 weight 0.10000E+01 volume 0.68180E-03 ppm1 0.380 ppm2 -1.022 CV 1
ASSI { 733}
(( segid "PAH2" and resid 332 and name HA ))
( segid "PAH2" and resid 332 and name HD2%)
5.000 3.200 1.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.22331E-03 ppm1 0.380 ppm2 3.879 CV 1
ASSI { 735}
(( segid "PAH2" and resid 332 and name HB1 ))
( segid "PAH2" and resid 332 and name HD2%)
3.100 1.200 1.200 peak 735 spectrum 1 weight 0.10000E+01 volume 0.14566E-02 ppm1 0.383 ppm2 1.801 CV 1
ASSI { 737}
(( segid "PAH2" and resid 353 and name HA ))
( segid "PAH2" and resid 353 and name HD2%)
3.600 1.600 1.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.14549E-02 ppm1 0.925 ppm2 4.671 CV 1
ASSI { 738}
(( segid "PAH2" and resid 334 and name HB ))
( segid "PAH2" and resid 353 and name HD2%)
3.300 1.400 1.400 peak 738 spectrum 1 weight 0.10000E+01 volume 0.14397E-02 ppm1 0.923 ppm2 4.377 CV 1
ASSI { 739}
(( segid "PAH2" and resid 335 and name HA ))
( segid "PAH2" and resid 353 and name HD2%)
3.300 1.300 1.300 peak 739 spectrum 1 weight 0.10000E+01 volume 0.13399E-02 ppm1 0.923 ppm2 4.033 CV 1
ASSI { 741}
(( segid "PAH2" and resid 358 and name HA ))
( segid "PAH2" and resid 353 and name HD2%)
4.200 2.200 1.800 peak 741 spectrum 1 weight 0.10000E+01 volume 0.42463E-03 ppm1 0.923 ppm2 3.380 CV 1
ASSI { 742}
(( segid "PAH2" and resid 335 and name HB1 ))
( segid "PAH2" and resid 353 and name HD2%)
5.000 3.100 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.44832E-03 ppm1 0.925 ppm2 3.277 CV 1
ASSI { 743}
(( segid "PAH2" and resid 335 and name HB2 ))
( segid "PAH2" and resid 353 and name HD2%)
3.300 1.400 1.400 peak 743 spectrum 1 weight 0.10000E+01 volume 0.10083E-02 ppm1 0.925 ppm2 2.991 CV 1
ASSI { 744}
(( segid "PAH2" and resid 357 and name HG1 ))
( segid "PAH2" and resid 353 and name HD2%)
3.300 1.300 1.300 peak 744 spectrum 1 weight 0.10000E+01 volume 0.21655E-02 ppm1 0.925 ppm2 2.352 CV 1
OR { 744}
(( segid "PAH2" and resid 357 and name HG2 ))
( segid "PAH2" and resid 353 and name HD2%)
ASSI { 745}
(( segid "PAH2" and resid 357 and name HB2 ))
( segid "PAH2" and resid 353 and name HD2%)
3.600 1.700 1.700 peak 745 spectrum 1 weight 0.10000E+01 volume 0.15158E-02 ppm1 0.924 ppm2 2.099 CV 1
ASSI { 747}
(( segid "PAH2" and resid 353 and name HB2 ))
( segid "PAH2" and resid 353 and name HD2%)
2.900 1.000 1.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.48384E-02 ppm1 0.923 ppm2 1.559 CV 1
ASSI { 749}
( segid "PAH2" and resid 334 and name HG2%)
( segid "PAH2" and resid 353 and name HD2%)
2.700 0.900 0.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.42632E-02 ppm1 0.925 ppm2 1.273 CV 1
ASSI { 751}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 353 and name HD2%)
3.700 1.700 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.55151E-03 ppm1 0.924 ppm2 -1.140 CV 1
ASSI { 755}
( segid "PAH2" and resid 329 and name HD1%)
(( segid "PAH2" and resid 329 and name HG ))
2.800 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.27576E-02 ppm1 1.421 ppm2 0.758 CV 1
ASSI { 758}
(( segid "PAH2" and resid 372 and name HA ))
( segid "PAH2" and resid 372 and name HD2%)
4.400 2.400 1.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.84251E-03 ppm1 0.229 ppm2 4.386 CV 1
ASSI { 761}
(( segid "PAH2" and resid 317 and name HD2 ))
( segid "PAH2" and resid 372 and name HD2%)
4.200 2.200 1.800 peak 761 spectrum 1 weight 0.10000E+01 volume 0.49907E-03 ppm1 0.229 ppm2 3.064 CV 1
ASSI { 764}
(( segid "PAH2" and resid 369 and name HG2 ))
( segid "PAH2" and resid 372 and name HD2%)
4.100 2.100 1.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.68683E-03 ppm1 0.229 ppm2 2.299 CV 1
ASSI { 767}
(( segid "PAH2" and resid 372 and name HG ))
( segid "PAH2" and resid 372 and name HD2%)
2.100 0.600 0.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.11758E-01 ppm1 0.229 ppm2 1.578 CV 1
ASSI { 769}
(( segid "PAH2" and resid 372 and name HB2 ))
( segid "PAH2" and resid 372 and name HD2%)
2.700 0.900 0.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.44662E-02 ppm1 0.230 ppm2 0.993 CV 1
ASSI { 770}
( segid "PAH2" and resid 314 and name HG2%)
( segid "PAH2" and resid 372 and name HD2%)
3.000 1.100 1.100 peak 770 spectrum 1 weight 0.10000E+01 volume 0.19455E-02 ppm1 0.229 ppm2 0.824 CV 1
ASSI { 773}
( segid "PAH2" and resid 318 and name HE% )
( segid "PAH2" and resid 372 and name HD2%)
3.000 1.200 1.200 peak 773 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 0.232 ppm2 -1.037 CV 1
ASSI { 774}
(( segid "PAH2" and resid 318 and name HZ ))
( segid "PAH2" and resid 372 and name HD2%)
3.600 1.600 1.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.12198E-02 ppm1 0.229 ppm2 -1.133 CV 1
ASSI { 778}
(( segid "PAH2" and resid 372 and name HB2 ))
(( segid "PAH2" and resid 372 and name HG ))
4.000 2.000 2.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.54136E-03 ppm1 1.566 ppm2 1.000 CV 1
ASSI { 780}
( segid "PAH2" and resid 296 and name HD1%)
(( segid "PAH2" and resid 296 and name HG ))
3.900 1.900 1.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.39079E-03 ppm1 1.608 ppm2 0.882 CV 1
ASSI { 781}
(( segid "PAH2" and resid 296 and name HB2 ))
(( segid "PAH2" and resid 296 and name HG ))
2.100 0.500 0.500 peak 781 spectrum 1 weight 0.10000E+01 volume 0.17256E-01 ppm1 1.611 ppm2 1.509 CV 1
ASSI { 784}
( segid "PAH2" and resid 332 and name HD2%)
(( segid "PAH2" and resid 329 and name HG ))
2.500 2.500 3.500 peak 784 spectrum 1 weight 0.10000E+01 volume 0.22331E-02 ppm1 1.391 ppm2 0.384 CV 1
ASSI { 791}
(( segid "PAH2" and resid 296 and name HA ))
(( segid "PAH2" and resid 296 and name HG ))
3.600 1.600 1.600 peak 791 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 1.606 ppm2 4.285 CV 1
ASSI { 793}
(( segid "PAH2" and resid 340 and name HD1 ))
(( segid "PAH2" and resid 340 and name HG2 ))
2.400 0.700 0.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.68683E-02 ppm1 1.604 ppm2 3.171 CV 1
OR { 793}
(( segid "PAH2" and resid 340 and name HD2 ))
(( segid "PAH2" and resid 340 and name HG2 ))
ASSI { 794}
(( segid "PAH2" and resid 340 and name HB2 ))
(( segid "PAH2" and resid 340 and name HG2 ))
2.100 0.600 0.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.12976E-01 ppm1 1.606 ppm2 1.901 CV 1
OR { 794}
(( segid "PAH2" and resid 340 and name HB1 ))
(( segid "PAH2" and resid 340 and name HG2 ))
ASSI { 797}
(( segid "PAH2" and resid 340 and name HG1 ))
(( segid "PAH2" and resid 340 and name HG2 ))
1.500 0.300 0.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.31128E-01 ppm1 1.606 ppm2 1.726 CV 1
ASSI { 798}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 340 and name HG1 ))
2.700 0.900 0.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.32143E-02 ppm1 1.730 ppm2 4.058 CV 1
ASSI { 799}
(( segid "PAH2" and resid 353 and name HA ))
(( segid "PAH2" and resid 353 and name HG ))
3.700 1.700 1.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.56504E-03 ppm1 1.683 ppm2 4.668 CV 1
ASSI { 802}
(( segid "PAH2" and resid 340 and name HB1 ))
(( segid "PAH2" and resid 340 and name HG1 ))
2.000 0.500 0.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.24192E-01 ppm1 1.729 ppm2 1.909 CV 1
OR { 802}
(( segid "PAH2" and resid 340 and name HB2 ))
(( segid "PAH2" and resid 340 and name HG1 ))
ASSI { 804}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 353 and name HG ))
3.000 1.100 1.100 peak 804 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 1.679 ppm2 0.956 CV 1
OR { 804}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 353 and name HG ))
ASSI { 807}
(( segid "PAH2" and resid 324 and name HG11))
(( segid "PAH2" and resid 324 and name HG12))
1.700 0.400 0.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.17087E-01 ppm1 1.188 ppm2 1.520 CV 1
OR { 807}
(( segid "PAH2" and resid 324 and name HB ))
(( segid "PAH2" and resid 324 and name HG12))
ASSI { 808}
(( segid "PAH2" and resid 381 and name HA ))
(( segid "PAH2" and resid 381 and name HG1 ))
3.300 1.400 1.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.27744E-02 ppm1 1.913 ppm2 4.464 CV 1
OR { 808}
(( segid "PAH2" and resid 381 and name HA ))
(( segid "PAH2" and resid 381 and name HG2 ))
ASSI { 809}
(( segid "PAH2" and resid 381 and name HD1 ))
(( segid "PAH2" and resid 381 and name HG2 ))
2.500 0.800 0.800 peak 809 spectrum 1 weight 0.10000E+01 volume 0.46354E-02 ppm1 1.918 ppm2 3.541 CV 1
OR { 809}
(( segid "PAH2" and resid 381 and name HD1 ))
(( segid "PAH2" and resid 381 and name HG1 ))
ASSI { 810}
(( segid "PAH2" and resid 381 and name HD2 ))
(( segid "PAH2" and resid 381 and name HG1 ))
2.700 0.900 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.36204E-02 ppm1 1.917 ppm2 3.357 CV 1
OR { 810}
(( segid "PAH2" and resid 381 and name HD2 ))
(( segid "PAH2" and resid 381 and name HG2 ))
ASSI { 811}
(( segid "PAH2" and resid 381 and name HB1 ))
(( segid "PAH2" and resid 381 and name HG2 ))
2.200 0.600 0.600 peak 811 spectrum 1 weight 0.10000E+01 volume 0.98968E-02 ppm1 1.921 ppm2 2.229 CV 1
OR { 811}
(( segid "PAH2" and resid 381 and name HB1 ))
(( segid "PAH2" and resid 381 and name HG1 ))
ASSI { 814}
(( segid "PAH2" and resid 373 and name HB1 ))
(( segid "PAH2" and resid 373 and name HG ))
2.600 0.900 0.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.45339E-02 ppm1 1.879 ppm2 2.153 CV 1
ASSI { 815}
(( segid "PAH2" and resid 378 and name HB2 ))
(( segid "PAH2" and resid 381 and name HG1 ))
2.700 0.900 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.11741E-01 ppm1 1.881 ppm2 1.754 CV 1
OR { 815}
(( segid "PAH2" and resid 378 and name HB1 ))
(( segid "PAH2" and resid 381 and name HG1 ))
OR { 815}
(( segid "PAH2" and resid 378 and name HB1 ))
(( segid "PAH2" and resid 381 and name HG2 ))
ASSI { 817}
(( segid "PAH2" and resid 351 and name HD1 ))
(( segid "PAH2" and resid 351 and name HG2 ))
2.700 0.900 0.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.61408E-02 ppm1 1.942 ppm2 3.717 CV 1
ASSI { 818}
(( segid "PAH2" and resid 351 and name HA ))
(( segid "PAH2" and resid 351 and name HG2 ))
4.100 2.100 1.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.10658E-02 ppm1 1.940 ppm2 4.352 CV 1
ASSI { 819}
(( segid "PAH2" and resid 351 and name HB1 ))
(( segid "PAH2" and resid 351 and name HG2 ))
2.700 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.59887E-02 ppm1 1.943 ppm2 2.307 CV 1
ASSI { 820}
(( segid "PAH2" and resid 351 and name HG1 ))
(( segid "PAH2" and resid 351 and name HG2 ))
1.500 0.300 0.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.36373E-01 ppm1 1.944 ppm2 2.067 CV 1
ASSI { 823}
(( segid "PAH2" and resid 301 and name HD1 ))
(( segid "PAH2" and resid 301 and name HG2 ))
2.100 0.500 0.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.17256E-01 ppm1 2.073 ppm2 3.680 CV 1
OR { 823}
(( segid "PAH2" and resid 301 and name HD2 ))
(( segid "PAH2" and resid 301 and name HG1 ))
OR { 823}
(( segid "PAH2" and resid 301 and name HD1 ))
(( segid "PAH2" and resid 301 and name HG1 ))
OR { 823}
(( segid "PAH2" and resid 301 and name HD2 ))
(( segid "PAH2" and resid 301 and name HG2 ))
ASSI { 824}
(( segid "PAH2" and resid 356 and name HA ))
(( segid "PAH2" and resid 356 and name HB2 ))
2.400 0.700 0.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.62426E-02 ppm1 2.061 ppm2 4.089 CV 1
ASSI { 825}
(( segid "PAH2" and resid 356 and name HA ))
(( segid "PAH2" and resid 356 and name HB1 ))
2.900 1.100 1.100 peak 825 spectrum 1 weight 0.10000E+01 volume 0.46354E-02 ppm1 2.148 ppm2 4.086 CV 1
ASSI { 826}
(( segid "PAH2" and resid 300 and name HA ))
(( segid "PAH2" and resid 301 and name HG2 ))
4.800 2.900 1.200 peak 826 spectrum 1 weight 0.10000E+01 volume 0.87466E-03 ppm1 2.073 ppm2 4.688 CV 1
OR { 826}
(( segid "PAH2" and resid 300 and name HA ))
(( segid "PAH2" and resid 301 and name HG1 ))
ASSI { 828}
(( segid "PAH2" and resid 351 and name HB1 ))
(( segid "PAH2" and resid 351 and name HG1 ))
2.100 0.500 0.500 peak 828 spectrum 1 weight 0.10000E+01 volume 0.10083E-01 ppm1 2.068 ppm2 2.312 CV 1
ASSI { 832}
(( segid "PAH2" and resid 322 and name HD2 ))
(( segid "PAH2" and resid 322 and name HG1 ))
3.100 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.26561E-02 ppm1 2.113 ppm2 3.471 CV 1
ASSI { 833}
(( segid "PAH2" and resid 322 and name HD2 ))
(( segid "PAH2" and resid 322 and name HG1 ))
2.700 0.900 0.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.28083E-02 ppm1 2.085 ppm2 3.471 CV 1
OR { 833}
(( segid "PAH2" and resid 322 and name HD2 ))
(( segid "PAH2" and resid 322 and name HG2 ))
ASSI { 834}
(( segid "PAH2" and resid 356 and name HG2 ))
(( segid "PAH2" and resid 356 and name HB1 ))
2.200 0.600 0.600 peak 834 spectrum 1 weight 0.10000E+01 volume 0.10928E-01 ppm1 2.142 ppm2 2.489 CV 1
OR { 834}
(( segid "PAH2" and resid 356 and name HG1 ))
(( segid "PAH2" and resid 356 and name HB1 ))
ASSI { 835}
(( segid "PAH2" and resid 356 and name HG1 ))
(( segid "PAH2" and resid 356 and name HB2 ))
2.200 0.600 0.600 peak 835 spectrum 1 weight 0.10000E+01 volume 0.15125E-01 ppm1 2.067 ppm2 2.473 CV 1
OR { 835}
(( segid "PAH2" and resid 356 and name HG2 ))
(( segid "PAH2" and resid 356 and name HB2 ))
ASSI { 836}
(( segid "PAH2" and resid 339 and name HA ))
(( segid "PAH2" and resid 339 and name HB2 ))
2.700 0.900 0.900 peak 836 spectrum 1 weight 0.10000E+01 volume 0.29267E-02 ppm1 1.961 ppm2 3.885 CV 1
ASSI { 837}
(( segid "PAH2" and resid 339 and name HA ))
(( segid "PAH2" and resid 339 and name HB1 ))
3.000 1.100 1.100 peak 837 spectrum 1 weight 0.10000E+01 volume 0.40602E-02 ppm1 2.048 ppm2 3.885 CV 1
ASSI { 839}
(( segid "PAH2" and resid 319 and name HA ))
(( segid "PAH2" and resid 319 and name HB2 ))
2.300 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.79173E-02 ppm1 2.104 ppm2 4.071 CV 1
ASSI { 843}
(( segid "PAH2" and resid 319 and name HG2 ))
(( segid "PAH2" and resid 319 and name HB2 ))
2.100 0.600 0.600 peak 843 spectrum 1 weight 0.10000E+01 volume 0.17256E-01 ppm1 2.103 ppm2 2.447 CV 1
OR { 843}
(( segid "PAH2" and resid 319 and name HG1 ))
(( segid "PAH2" and resid 319 and name HB2 ))
ASSI { 844}
(( segid "PAH2" and resid 319 and name HB1 ))
(( segid "PAH2" and resid 319 and name HB2 ))
1.600 0.300 0.600 peak 844 spectrum 1 weight 0.10000E+01 volume 0.30451E-01 ppm1 2.106 ppm2 2.256 CV 1
ASSI { 846}
(( segid "PAH2" and resid 338 and name HA ))
(( segid "PAH2" and resid 339 and name HB2 ))
3.900 1.900 1.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.16055E-02 ppm1 1.933 ppm2 4.106 CV 1
ASSI { 849}
(( segid "PAH2" and resid 364 and name HD1 ))
(( segid "PAH2" and resid 364 and name HG2 ))
2.400 0.700 0.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.70713E-02 ppm1 1.583 ppm2 3.222 CV 1
OR { 849}
(( segid "PAH2" and resid 364 and name HD2 ))
(( segid "PAH2" and resid 364 and name HG2 ))
ASSI { 850}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 364 and name HG2 ))
3.100 1.200 1.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.31805E-02 ppm1 1.586 ppm2 4.053 CV 1
ASSI { 851}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 364 and name HG1 ))
3.000 1.100 1.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.28252E-02 ppm1 1.800 ppm2 4.051 CV 1
ASSI { 852}
(( segid "PAH2" and resid 364 and name HD1 ))
(( segid "PAH2" and resid 364 and name HG1 ))
2.700 0.900 0.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.36373E-02 ppm1 1.808 ppm2 3.220 CV 1
OR { 852}
(( segid "PAH2" and resid 364 and name HD2 ))
(( segid "PAH2" and resid 364 and name HG1 ))
ASSI { 855}
( segid "PAH2" and resid 302 and name HG1%)
(( segid "PAH2" and resid 301 and name HG2 ))
4.000 2.000 2.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.48722E-03 ppm1 2.079 ppm2 1.003 CV 1
ASSI { 856}
(( segid "PAH2" and resid 364 and name HG1 ))
(( segid "PAH2" and resid 364 and name HG2 ))
1.500 0.300 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.43647E-01 ppm1 1.583 ppm2 1.822 CV 1
OR { 856}
(( segid "PAH2" and resid 364 and name HB1 ))
(( segid "PAH2" and resid 364 and name HG2 ))
ASSI { 857}
(( segid "PAH2" and resid 364 and name HG2 ))
(( segid "PAH2" and resid 364 and name HG1 ))
1.600 0.300 0.600 peak 857 spectrum 1 weight 0.10000E+01 volume 0.24023E-01 ppm1 1.806 ppm2 1.588 CV 1
ASSI { 859}
(( segid "PAH2" and resid 378 and name HG2 ))
(( segid "PAH2" and resid 378 and name HB2 ))
2.700 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.36204E-02 ppm1 1.725 ppm2 2.173 CV 1
OR { 859}
(( segid "PAH2" and resid 378 and name HG1 ))
(( segid "PAH2" and resid 378 and name HB2 ))
ASSI { 860}
(( segid "PAH2" and resid 378 and name HG1 ))
(( segid "PAH2" and resid 378 and name HB1 ))
2.800 1.000 1.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.35696E-02 ppm1 1.770 ppm2 2.172 CV 1
OR { 860}
(( segid "PAH2" and resid 378 and name HG2 ))
(( segid "PAH2" and resid 378 and name HB1 ))
ASSI { 861}
(( segid "PAH2" and resid 308 and name HA ))
(( segid "PAH2" and resid 308 and name HG12))
3.600 1.700 1.700 peak 861 spectrum 1 weight 0.10000E+01 volume 0.94232E-03 ppm1 0.783 ppm2 3.443 CV 1
ASSI { 862}
(( segid "PAH2" and resid 305 and name HA ))
(( segid "PAH2" and resid 308 and name HG12))
4.200 2.200 1.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.15260E-03 ppm1 0.783 ppm2 4.375 CV 1
ASSI { 863}
(( segid "PAH2" and resid 308 and name HB ))
(( segid "PAH2" and resid 308 and name HG12))
3.600 1.700 1.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.36204E-03 ppm1 0.784 ppm2 1.858 CV 1
ASSI { 866}
(( segid "PAH2" and resid 308 and name HG11))
(( segid "PAH2" and resid 308 and name HG12))
1.700 0.400 0.500 peak 866 spectrum 1 weight 0.10000E+01 volume 0.97106E-02 ppm1 0.783 ppm2 1.241 CV 1
ASSI { 867}
( segid "PAH2" and resid 308 and name HD1%)
(( segid "PAH2" and resid 308 and name HG12))
2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.46354E-02 ppm1 0.785 ppm2 0.635 CV 1
ASSI { 874}
(( segid "PAH2" and resid 324 and name HA ))
(( segid "PAH2" and resid 324 and name HG12))
3.000 1.100 1.100 peak 874 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 1.188 ppm2 3.717 CV 1
ASSI { 875}
(( segid "PAH2" and resid 308 and name HA ))
(( segid "PAH2" and resid 308 and name HG11))
4.500 2.500 1.500 peak 875 spectrum 1 weight 0.10000E+01 volume 0.51429E-03 ppm1 1.241 ppm2 3.446 CV 1
ASSI { 876}
(( segid "PAH2" and resid 305 and name HA ))
(( segid "PAH2" and resid 308 and name HG11))
4.400 2.400 1.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.32989E-03 ppm1 1.242 ppm2 4.385 CV 1
ASSI { 877}
(( segid "PAH2" and resid 308 and name HG12))
(( segid "PAH2" and resid 308 and name HG11))
1.800 0.400 0.400 peak 877 spectrum 1 weight 0.10000E+01 volume 0.12012E-01 ppm1 1.245 ppm2 0.793 CV 1
OR { 877}
( segid "PAH2" and resid 308 and name HG2%)
(( segid "PAH2" and resid 308 and name HG11))
ASSI { 878}
( segid "PAH2" and resid 308 and name HD1%)
(( segid "PAH2" and resid 308 and name HG11))
2.500 0.800 0.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.39587E-02 ppm1 1.250 ppm2 0.640 CV 1
ASSI { 879}
(( segid "PAH2" and resid 321 and name HB1 ))
(( segid "PAH2" and resid 324 and name HG12))
4.000 2.000 2.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.69192E-03 ppm1 1.190 ppm2 2.384 CV 1
ASSI { 881}
( segid "PAH2" and resid 324 and name HG2%)
(( segid "PAH2" and resid 324 and name HG11))
3.500 1.500 1.500 peak 881 spectrum 1 weight 0.10000E+01 volume 0.16714E-02 ppm1 1.515 ppm2 0.026 CV 1
ASSI { 882}
( segid "PAH2" and resid 324 and name HD1%)
(( segid "PAH2" and resid 324 and name HG11))
2.900 1.000 1.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.21316E-02 ppm1 1.512 ppm2 0.777 CV 1
ASSI { 883}
(( segid "PAH2" and resid 324 and name HG12))
(( segid "PAH2" and resid 324 and name HG11))
1.800 0.400 0.400 peak 883 spectrum 1 weight 0.10000E+01 volume 0.11098E-01 ppm1 1.512 ppm2 1.190 CV 1
ASSI { 884}
(( segid "PAH2" and resid 321 and name HB1 ))
(( segid "PAH2" and resid 324 and name HG11))
3.400 1.500 1.500 peak 884 spectrum 1 weight 0.10000E+01 volume 0.80526E-03 ppm1 1.511 ppm2 2.376 CV 1
OR { 884}
(( segid "PAH2" and resid 321 and name HG2 ))
(( segid "PAH2" and resid 324 and name HG11))
ASSI { 885}
(( segid "PAH2" and resid 324 and name HA ))
(( segid "PAH2" and resid 324 and name HG11))
3.800 1.800 1.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.79514E-03 ppm1 1.514 ppm2 3.720 CV 1
ASSI { 886}
(( segid "PAH2" and resid 304 and name HZ ))
(( segid "PAH2" and resid 308 and name HG12))
2.400 2.400 3.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.18779E-01 ppm1 0.771 ppm2 -1.186 CV 1
ASSI { 890}
(( segid "PAH2" and resid 317 and name HB2 ))
(( segid "PAH2" and resid 317 and name HB1 ))
1.900 0.500 0.500 peak 890 spectrum 1 weight 0.10000E+01 volume 0.62761E-02 ppm1 1.611 ppm2 1.171 CV 1
ASSI { 891}
(( segid "PAH2" and resid 372 and name HB2 ))
(( segid "PAH2" and resid 317 and name HB1 ))
3.700 1.700 1.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.10083E-02 ppm1 1.619 ppm2 0.989 CV 1
ASSI { 892}
(( segid "PAH2" and resid 317 and name HG1 ))
(( segid "PAH2" and resid 317 and name HB1 ))
3.100 1.200 1.200 peak 892 spectrum 1 weight 0.10000E+01 volume 0.11504E-02 ppm1 1.607 ppm2 0.891 CV 1
ASSI { 901}
(( segid "PAH2" and resid 297 and name HG2 ))
(( segid "PAH2" and resid 297 and name HB2 ))
2.500 0.800 0.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.80526E-02 ppm1 1.841 ppm2 2.277 CV 1
OR { 901}
(( segid "PAH2" and resid 297 and name HG1 ))
(( segid "PAH2" and resid 297 and name HB2 ))
ASSI { 902}
(( segid "PAH2" and resid 297 and name HB1 ))
(( segid "PAH2" and resid 297 and name HB2 ))
1.400 0.200 0.800 peak 902 spectrum 1 weight 0.10000E+01 volume 0.62594E-01 ppm1 1.841 ppm2 1.998 CV 1
ASSI { 905}
(( segid "PAH2" and resid 331 and name HG12))
(( segid "PAH2" and resid 331 and name HG11))
1.900 0.500 0.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.63438E-02 ppm1 1.815 ppm2 1.043 CV 1
ASSI { 906}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 331 and name HG11))
3.900 1.900 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.13348E-02 ppm1 1.811 ppm2 0.837 CV 1
ASSI { 907}
( segid "PAH2" and resid 331 and name HD1%)
(( segid "PAH2" and resid 331 and name HG11))
2.700 0.900 0.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.26899E-02 ppm1 1.813 ppm2 0.723 CV 1
ASSI { 912}
( segid "PAH2" and resid 362 and name HG1%)
(( segid "PAH2" and resid 361 and name HB2 ))
5.300 3.500 0.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.15293E-03 ppm1 2.031 ppm2 0.502 CV 1
ASSI { 913}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 355 and name HB2 ))
3.900 1.900 1.900 peak 913 spectrum 1 weight 0.10000E+01 volume 0.17425E-03 ppm1 1.835 ppm2 0.491 CV 1
OR { 913}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 355 and name HB2 ))
ASSI { 914}
(( segid "PAH2" and resid 331 and name HA ))
(( segid "PAH2" and resid 331 and name HG11))
3.500 1.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.11656E-02 ppm1 1.809 ppm2 3.731 CV 1
ASSI { 916}
(( segid "PAH2" and resid 343 and name HG2 ))
(( segid "PAH2" and resid 343 and name HD1 ))
1.900 0.400 0.400 peak 916 spectrum 1 weight 0.10000E+01 volume 0.35188E-01 ppm1 1.690 ppm2 1.454 CV 1
OR { 916}
(( segid "PAH2" and resid 343 and name HG2 ))
(( segid "PAH2" and resid 343 and name HD2 ))
ASSI { 920}
(( segid "PAH2" and resid 326 and name HA ))
(( segid "PAH2" and resid 326 and name HD2 ))
4.200 2.200 1.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.78838E-03 ppm1 1.698 ppm2 3.719 CV 1
OR { 920}
(( segid "PAH2" and resid 326 and name HA ))
(( segid "PAH2" and resid 326 and name HD1 ))
ASSI { 921}
(( segid "PAH2" and resid 343 and name HA ))
(( segid "PAH2" and resid 343 and name HD1 ))
3.200 1.300 1.300 peak 921 spectrum 1 weight 0.10000E+01 volume 0.26899E-02 ppm1 1.688 ppm2 4.107 CV 1
OR { 921}
(( segid "PAH2" and resid 343 and name HA ))
(( segid "PAH2" and resid 343 and name HD2 ))
ASSI { 922}
(( segid "PAH2" and resid 323 and name HA ))
(( segid "PAH2" and resid 326 and name HD1 ))
3.800 1.800 1.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.75623E-03 ppm1 1.696 ppm2 4.394 CV 1
OR { 922}
(( segid "PAH2" and resid 323 and name HA ))
(( segid "PAH2" and resid 326 and name HD2 ))
ASSI { 927}
(( segid "PAH2" and resid 337 and name HE1 ))
(( segid "PAH2" and resid 337 and name HD2 ))
2.600 0.800 0.800 peak 927 spectrum 1 weight 0.10000E+01 volume 0.42632E-02 ppm1 1.566 ppm2 2.846 CV 1
OR { 927}
(( segid "PAH2" and resid 337 and name HE1 ))
(( segid "PAH2" and resid 337 and name HD1 ))
ASSI { 928}
(( segid "PAH2" and resid 315 and name HA ))
(( segid "PAH2" and resid 315 and name HD1 ))
4.700 2.700 1.300 peak 928 spectrum 1 weight 0.10000E+01 volume 0.36711E-03 ppm1 1.468 ppm2 3.071 CV 1
OR { 928}
(( segid "PAH2" and resid 315 and name HA ))
(( segid "PAH2" and resid 315 and name HD2 ))
ASSI { 929}
(( segid "PAH2" and resid 334 and name HA ))
(( segid "PAH2" and resid 337 and name HD2 ))
4.500 2.600 1.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.34004E-03 ppm1 1.564 ppm2 3.777 CV 1
OR { 929}
(( segid "PAH2" and resid 334 and name HA ))
(( segid "PAH2" and resid 337 and name HD1 ))
ASSI { 931}
(( segid "PAH2" and resid 315 and name HG1 ))
(( segid "PAH2" and resid 315 and name HD1 ))
2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.60229E-02 ppm1 1.465 ppm2 0.792 CV 1
OR { 931}
(( segid "PAH2" and resid 315 and name HG1 ))
(( segid "PAH2" and resid 315 and name HD2 ))
ASSI { 932}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 315 and name HD2 ))
3.600 1.700 1.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.26053E-03 ppm1 1.473 ppm2 -1.201 CV 1
OR { 932}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 315 and name HD1 ))
ASSI { 933}
(( segid "PAH2" and resid 337 and name HB1 ))
(( segid "PAH2" and resid 337 and name HD2 ))
2.700 0.900 0.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.50583E-02 ppm1 1.574 ppm2 1.837 CV 1
OR { 933}
(( segid "PAH2" and resid 337 and name HB2 ))
(( segid "PAH2" and resid 337 and name HD1 ))
OR { 933}
(( segid "PAH2" and resid 337 and name HB1 ))
(( segid "PAH2" and resid 337 and name HD1 ))
OR { 933}
(( segid "PAH2" and resid 337 and name HB2 ))
(( segid "PAH2" and resid 337 and name HD2 ))
ASSI { 941}
(( segid "PAH2" and resid 314 and name HG12))
(( segid "PAH2" and resid 314 and name HG11))
1.900 0.400 0.400 peak 941 spectrum 1 weight 0.10000E+01 volume 0.51598E-02 ppm1 1.042 ppm2 0.409 CV 1
ASSI { 942}
( segid "PAH2" and resid 372 and name HD1%)
(( segid "PAH2" and resid 314 and name HG11))
3.900 1.900 1.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.12570E-02 ppm1 1.037 ppm2 0.523 CV 1
ASSI { 945}
(( segid "PAH2" and resid 308 and name HB ))
(( segid "PAH2" and resid 308 and name HG11))
2.800 1.000 1.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.20132E-02 ppm1 1.253 ppm2 1.862 CV 1
ASSI { 946}
(( segid "PAH2" and resid 353 and name HG ))
( segid "PAH2" and resid 353 and name HD2%)
2.300 0.700 0.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.77485E-02 ppm1 0.924 ppm2 1.681 CV 1
OR { 946}
(( segid "PAH2" and resid 353 and name HB1 ))
( segid "PAH2" and resid 353 and name HD2%)
ASSI { 947}
(( segid "PAH2" and resid 380 and name HA ))
(( segid "PAH2" and resid 380 and name HG ))
4.400 2.400 1.600 peak 947 spectrum 1 weight 0.10000E+01 volume 0.24192E-03 ppm1 1.266 ppm2 4.538 CV 1
ASSI { 948}
(( segid "PAH2" and resid 380 and name HB1 ))
(( segid "PAH2" and resid 380 and name HG ))
2.900 1.000 1.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.24361E-02 ppm1 1.276 ppm2 1.473 CV 1
ASSI { 949}
(( segid "PAH2" and resid 380 and name HB2 ))
(( segid "PAH2" and resid 380 and name HG ))
3.200 1.300 1.300 peak 949 spectrum 1 weight 0.10000E+01 volume 0.16359E-02 ppm1 1.278 ppm2 1.008 CV 1
ASSI { 950}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 380 and name HG ))
3.100 1.200 1.200 peak 950 spectrum 1 weight 0.10000E+01 volume 0.14549E-02 ppm1 1.270 ppm2 0.481 CV 1
OR { 950}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 380 and name HG ))
ASSI { 952}
(( segid "PAH2" and resid 297 and name HA ))
(( segid "PAH2" and resid 297 and name HB2 ))
2.800 1.000 1.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.39249E-02 ppm1 1.842 ppm2 4.124 CV 1
ASSI { 954}
(( segid "PAH2" and resid 330 and name HG2 ))
(( segid "PAH2" and resid 330 and name HB2 ))
1.800 0.400 0.400 peak 954 spectrum 1 weight 0.10000E+01 volume 0.45001E-01 ppm1 2.087 ppm2 2.296 CV 1
OR { 954}
(( segid "PAH2" and resid 330 and name HG1 ))
(( segid "PAH2" and resid 330 and name HB1 ))
OR { 954}
(( segid "PAH2" and resid 330 and name HG2 ))
(( segid "PAH2" and resid 330 and name HB1 ))
OR { 954}
(( segid "PAH2" and resid 330 and name HG1 ))
(( segid "PAH2" and resid 330 and name HB2 ))
ASSI { 956}
(( segid "PAH2" and resid 297 and name HA ))
(( segid "PAH2" and resid 297 and name HB1 ))
2.400 0.700 0.700 peak 956 spectrum 1 weight 0.10000E+01 volume 0.76467E-02 ppm1 2.002 ppm2 4.126 CV 1
ASSI { 957}
(( segid "PAH2" and resid 370 and name HA ))
(( segid "PAH2" and resid 370 and name HB2 ))
2.200 0.600 0.600 peak 957 spectrum 1 weight 0.10000E+01 volume 0.13128E-01 ppm1 2.129 ppm2 4.003 CV 1
OR { 957}
(( segid "PAH2" and resid 370 and name HA ))
(( segid "PAH2" and resid 370 and name HB1 ))
ASSI { 958}
(( segid "PAH2" and resid 361 and name HG1 ))
(( segid "PAH2" and resid 361 and name HB2 ))
2.700 0.900 0.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.23684E-02 ppm1 2.046 ppm2 2.714 CV 1
ASSI { 960}
(( segid "PAH2" and resid 361 and name HA ))
(( segid "PAH2" and resid 361 and name HB2 ))
3.300 1.300 1.300 peak 960 spectrum 1 weight 0.10000E+01 volume 0.17763E-02 ppm1 2.042 ppm2 3.948 CV 1
ASSI { 962}
(( segid "PAH2" and resid 326 and name HB1 ))
(( segid "PAH2" and resid 326 and name HD2 ))
1.800 0.400 0.400 peak 962 spectrum 1 weight 0.10000E+01 volume 0.42125E-01 ppm1 1.693 ppm2 1.868 CV 1
OR { 962}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 326 and name HD1 ))
OR { 962}
(( segid "PAH2" and resid 326 and name HB1 ))
(( segid "PAH2" and resid 326 and name HD1 ))
OR { 962}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 326 and name HD2 ))
ASSI { 963}
(( segid "PAH2" and resid 336 and name HA ))
(( segid "PAH2" and resid 336 and name HB2 ))
2.800 1.000 1.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.23515E-02 ppm1 2.248 ppm2 3.971 CV 1
ASSI { 966}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 357 and name HB1 ))
3.400 1.400 1.400 peak 966 spectrum 1 weight 0.10000E+01 volume 0.99303E-03 ppm1 2.316 ppm2 0.951 CV 1
OR { 966}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 357 and name HB1 ))
ASSI { 967}
( segid "PAH2" and resid 302 and name HG2%)
(( segid "PAH2" and resid 303 and name HB1 ))
4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 2.194 ppm2 0.953 CV 1
OR { 967}
( segid "PAH2" and resid 302 and name HG1%)
(( segid "PAH2" and resid 303 and name HB1 ))
ASSI { 970}
(( segid "PAH2" and resid 357 and name HA ))
(( segid "PAH2" and resid 357 and name HB1 ))
3.300 1.400 1.400 peak 970 spectrum 1 weight 0.10000E+01 volume 0.13788E-02 ppm1 2.316 ppm2 4.243 CV 1
ASSI { 974}
(( segid "PAH2" and resid 341 and name HB1 ))
(( segid "PAH2" and resid 344 and name HB1 ))
3.600 1.600 1.600 peak 974 spectrum 1 weight 0.10000E+01 volume 0.13754E-02 ppm1 2.083 ppm2 2.707 CV 1
ASSI { 975}
(( segid "PAH2" and resid 300 and name HA ))
(( segid "PAH2" and resid 300 and name HB1 ))
3.100 1.200 1.200 peak 975 spectrum 1 weight 0.10000E+01 volume 0.11047E-02 ppm1 2.201 ppm2 4.678 CV 1
ASSI { 977}
(( segid "PAH2" and resid 341 and name HA ))
(( segid "PAH2" and resid 344 and name HB2 ))
3.100 1.200 1.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.19624E-02 ppm1 1.972 ppm2 4.321 CV 1
ASSI { 979}
(( segid "PAH2" and resid 301 and name HD1 ))
(( segid "PAH2" and resid 300 and name HB2 ))
5.300 3.500 0.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.25038E-03 ppm1 1.973 ppm2 3.664 CV 1
OR { 979}
(( segid "PAH2" and resid 301 and name HD2 ))
(( segid "PAH2" and resid 300 and name HB2 ))
ASSI { 980}
(( segid "PAH2" and resid 301 and name HD1 ))
(( segid "PAH2" and resid 300 and name HB1 ))
5.000 3.100 1.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.26391E-03 ppm1 2.200 ppm2 3.661 CV 1
OR { 980}
(( segid "PAH2" and resid 301 and name HD2 ))
(( segid "PAH2" and resid 300 and name HB1 ))
ASSI { 982}
(( segid "PAH2" and resid 300 and name HB1 ))
(( segid "PAH2" and resid 300 and name HB2 ))
1.700 0.300 0.500 peak 982 spectrum 1 weight 0.10000E+01 volume 0.32482E-01 ppm1 1.975 ppm2 2.230 CV 1
OR { 982}
(( segid "PAH2" and resid 300 and name HG2 ))
(( segid "PAH2" and resid 300 and name HB2 ))
ASSI { 983}
(( segid "PAH2" and resid 344 and name HB1 ))
(( segid "PAH2" and resid 344 and name HB2 ))
1.400 0.200 0.800 peak 983 spectrum 1 weight 0.10000E+01 volume 0.54136E-01 ppm1 1.974 ppm2 2.078 CV 1
ASSI { 984}
(( segid "PAH2" and resid 357 and name HB1 ))
(( segid "PAH2" and resid 357 and name HB2 ))
1.600 0.300 0.600 peak 984 spectrum 1 weight 0.10000E+01 volume 0.36034E-01 ppm1 2.094 ppm2 2.338 CV 1
OR { 984}
(( segid "PAH2" and resid 357 and name HG1 ))
(( segid "PAH2" and resid 357 and name HB2 ))
OR { 984}
(( segid "PAH2" and resid 357 and name HG2 ))
(( segid "PAH2" and resid 357 and name HB2 ))
ASSI { 986}
(( segid "PAH2" and resid 357 and name HB2 ))
(( segid "PAH2" and resid 357 and name HB1 ))
1.600 0.300 0.600 peak 986 spectrum 1 weight 0.10000E+01 volume 0.20301E-01 ppm1 2.316 ppm2 2.099 CV 1
ASSI { 987}
(( segid "PAH2" and resid 300 and name HB2 ))
(( segid "PAH2" and resid 300 and name HB1 ))
1.600 0.300 0.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.30451E-01 ppm1 2.198 ppm2 1.981 CV 1
ASSI { 991}
(( segid "PAH2" and resid 357 and name HA ))
(( segid "PAH2" and resid 357 and name HB2 ))
2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.43816E-02 ppm1 2.092 ppm2 4.229 CV 1
ASSI { 992}
(( segid "PAH2" and resid 344 and name HA ))
(( segid "PAH2" and resid 344 and name HB1 ))
2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.10049E-01 ppm1 2.081 ppm2 4.148 CV 1
ASSI { 995}
(( segid "PAH2" and resid 364 and name HG2 ))
(( segid "PAH2" and resid 364 and name HB1 ))
2.200 0.600 0.600 peak 995 spectrum 1 weight 0.10000E+01 volume 0.10827E-01 ppm1 1.857 ppm2 1.589 CV 1
OR { 995}
(( segid "PAH2" and resid 364 and name HG2 ))
(( segid "PAH2" and resid 364 and name HB2 ))
ASSI { 996}
(( segid "PAH2" and resid 364 and name HD2 ))
(( segid "PAH2" and resid 364 and name HB2 ))
2.800 1.000 1.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.37388E-02 ppm1 1.856 ppm2 3.221 CV 1
OR { 996}
(( segid "PAH2" and resid 364 and name HD2 ))
(( segid "PAH2" and resid 364 and name HB1 ))
OR { 996}
(( segid "PAH2" and resid 364 and name HD1 ))
(( segid "PAH2" and resid 364 and name HB1 ))
OR { 996}
(( segid "PAH2" and resid 364 and name HD1 ))
(( segid "PAH2" and resid 364 and name HB2 ))
ASSI { 997}
(( segid "PAH2" and resid 361 and name HA ))
(( segid "PAH2" and resid 364 and name HB1 ))
3.300 1.300 1.300 peak 997 spectrum 1 weight 0.10000E+01 volume 0.15598E-02 ppm1 1.857 ppm2 3.964 CV 1
OR { 997}
(( segid "PAH2" and resid 361 and name HA ))
(( segid "PAH2" and resid 364 and name HB2 ))
ASSI { 998}
(( segid "PAH2" and resid 313 and name HE1 ))
(( segid "PAH2" and resid 313 and name HD1 ))
2.600 0.900 0.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.43478E-02 ppm1 1.696 ppm2 2.945 CV 1
OR { 998}
(( segid "PAH2" and resid 313 and name HE1 ))
(( segid "PAH2" and resid 313 and name HD2 ))
ASSI { 1001}
(( segid "PAH2" and resid 310 and name HA ))
(( segid "PAH2" and resid 313 and name HD2 ))
4.000 2.000 2.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.53629E-03 ppm1 1.699 ppm2 4.411 CV 1
OR { 1001}
(( segid "PAH2" and resid 310 and name HA ))
(( segid "PAH2" and resid 313 and name HD1 ))
ASSI { 1002}
(( segid "PAH2" and resid 313 and name HB1 ))
(( segid "PAH2" and resid 313 and name HD2 ))
2.200 0.600 0.600 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.11352E-01 ppm1 1.698 ppm2 1.960 CV 1
OR { 1002}
(( segid "PAH2" and resid 313 and name HB1 ))
(( segid "PAH2" and resid 313 and name HD1 ))
ASSI { 1004}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 313 and name HD1 ))
2.100 0.500 0.500 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.15953E-01 ppm1 1.699 ppm2 1.587 CV 1
OR { 1004}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 313 and name HD2 ))
ASSI { 1006}
( segid "PAH2" and resid 372 and name HD1%)
(( segid "PAH2" and resid 313 and name HD1 ))
2.800 1.000 1.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.19286E-02 ppm1 1.698 ppm2 0.534 CV 1
ASSI { 1007}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 313 and name HD2 ))
3.500 1.500 1.500 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.68515E-03 ppm1 1.699 ppm2 -1.034 CV 1
OR { 1007}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 313 and name HD1 ))
ASSI { 1009}
(( segid "PAH2" and resid 367 and name HA ))
(( segid "PAH2" and resid 367 and name HD2 ))
3.500 1.500 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.18440E-02 ppm1 1.771 ppm2 4.044 CV 1
OR { 1009}
(( segid "PAH2" and resid 367 and name HA ))
(( segid "PAH2" and resid 367 and name HD1 ))
ASSI { 1011}
(( segid "PAH2" and resid 367 and name HB1 ))
(( segid "PAH2" and resid 367 and name HD2 ))
2.100 0.500 0.500 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.21655E-01 ppm1 1.774 ppm2 2.045 CV 1
OR { 1011}
(( segid "PAH2" and resid 367 and name HB1 ))
(( segid "PAH2" and resid 367 and name HD1 ))
ASSI { 1012}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 364 and name HB2 ))
2.300 0.700 0.700 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.94232E-02 ppm1 1.857 ppm2 4.054 CV 1
OR { 1012}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 364 and name HB1 ))
ASSI { 1014}
(( segid "PAH2" and resid 321 and name HA ))
(( segid "PAH2" and resid 321 and name HB1 ))
3.000 1.100 1.100 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.12485E-02 ppm1 2.373 ppm2 4.952 CV 1
ASSI { 1016}
(( segid "PAH2" and resid 321 and name HB1 ))
(( segid "PAH2" and resid 321 and name HB2 ))
1.800 0.400 0.400 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.15784E-01 ppm1 2.192 ppm2 2.374 CV 1
OR { 1016}
(( segid "PAH2" and resid 321 and name HG2 ))
(( segid "PAH2" and resid 321 and name HB2 ))
ASSI { 1018}
(( segid "PAH2" and resid 321 and name HG1 ))
(( segid "PAH2" and resid 321 and name HB1 ))
2.500 0.800 0.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.86448E-02 ppm1 2.372 ppm2 2.467 CV 1
ASSI { 1019}
(( segid "PAH2" and resid 321 and name HB2 ))
(( segid "PAH2" and resid 321 and name HB1 ))
1.800 0.400 0.400 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.12164E-01 ppm1 2.371 ppm2 2.195 CV 1
ASSI { 1020}
( segid "PAH2" and resid 324 and name HD1%)
(( segid "PAH2" and resid 321 and name HB1 ))
4.200 2.200 1.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.31297E-03 ppm1 2.376 ppm2 0.776 CV 1
ASSI { 1021}
( segid "PAH2" and resid 311 and name HG2%)
(( segid "PAH2" and resid 311 and name HB ))
2.200 0.600 0.600 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.10776E-01 ppm1 2.214 ppm2 1.092 CV 1
OR { 1021}
( segid "PAH2" and resid 311 and name HG1%)
(( segid "PAH2" and resid 311 and name HB ))
ASSI { 1023}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 358 and name HB ))
2.500 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.46185E-02 ppm1 2.229 ppm2 0.801 CV 1
ASSI { 1026}
(( segid "PAH2" and resid 355 and name HA ))
(( segid "PAH2" and resid 358 and name HB ))
2.800 1.000 1.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.20301E-02 ppm1 2.230 ppm2 3.599 CV 1
ASSI { 1027}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 358 and name HB ))
3.200 1.300 1.300 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.53459E-03 ppm1 2.248 ppm2 0.490 CV 1
OR { 1027}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 358 and name HB ))
ASSI { 1028}
(( segid "PAH2" and resid 359 and name HA ))
(( segid "PAH2" and resid 362 and name HB ))
3.300 1.300 1.300 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 1.383 ppm2 3.822 CV 1
ASSI { 1036}
(( segid "PAH2" and resid 322 and name HD2 ))
(( segid "PAH2" and resid 322 and name HB1 ))
4.800 2.900 1.200 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.44493E-03 ppm1 2.460 ppm2 3.471 CV 1
ASSI { 1037}
(( segid "PAH2" and resid 301 and name HB2 ))
(( segid "PAH2" and resid 301 and name HB1 ))
1.700 0.300 0.500 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.20808E-01 ppm1 2.406 ppm2 2.020 CV 1
ASSI { 1041}
(( segid "PAH2" and resid 381 and name HD2 ))
(( segid "PAH2" and resid 381 and name HB1 ))
4.500 2.600 1.500 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.66486E-03 ppm1 2.232 ppm2 3.358 CV 1
ASSI { 1042}
(( segid "PAH2" and resid 381 and name HD1 ))
(( segid "PAH2" and resid 381 and name HB1 ))
4.800 2.800 1.200 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.48722E-03 ppm1 2.237 ppm2 3.538 CV 1
ASSI { 1047}
(( segid "PAH2" and resid 301 and name HA ))
(( segid "PAH2" and resid 301 and name HB2 ))
3.200 1.200 1.200 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.22162E-02 ppm1 2.010 ppm2 4.495 CV 1
ASSI { 1048}
(( segid "PAH2" and resid 301 and name HD1 ))
(( segid "PAH2" and resid 301 and name HB2 ))
4.300 2.300 1.700 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.11656E-02 ppm1 2.009 ppm2 3.671 CV 1
OR { 1048}
(( segid "PAH2" and resid 301 and name HD2 ))
(( segid "PAH2" and resid 301 and name HB2 ))
ASSI { 1049}
(( segid "PAH2" and resid 302 and name HA ))
(( segid "PAH2" and resid 302 and name HB ))
2.700 0.900 0.900 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.34343E-02 ppm1 2.076 ppm2 3.903 CV 1
ASSI { 1052}
(( segid "PAH2" and resid 351 and name HB1 ))
(( segid "PAH2" and resid 351 and name HB2 ))
1.600 0.300 0.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.22331E-01 ppm1 1.876 ppm2 2.312 CV 1
ASSI { 1053}
(( segid "PAH2" and resid 381 and name HB1 ))
(( segid "PAH2" and resid 381 and name HB2 ))
1.600 0.300 0.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.23854E-01 ppm1 1.862 ppm2 2.235 CV 1
ASSI { 1056}
(( segid "PAH2" and resid 315 and name HB2 ))
(( segid "PAH2" and resid 315 and name HB1 ))
1.800 0.400 0.400 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.10760E-01 ppm1 1.642 ppm2 1.407 CV 1
ASSI { 1059}
(( segid "PAH2" and resid 314 and name HB ))
(( segid "PAH2" and resid 315 and name HB2 ))
3.600 1.600 1.600 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.19455E-02 ppm1 1.392 ppm2 1.871 CV 1
ASSI { 1060}
(( segid "PAH2" and resid 315 and name HG1 ))
(( segid "PAH2" and resid 315 and name HB2 ))
3.100 1.200 1.200 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.11504E-02 ppm1 1.395 ppm2 0.794 CV 1
ASSI { 1061}
(( segid "PAH2" and resid 315 and name HG1 ))
(( segid "PAH2" and resid 315 and name HB1 ))
3.300 1.400 1.400 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.18440E-02 ppm1 1.643 ppm2 0.806 CV 1
ASSI { 1062}
(( segid "PAH2" and resid 314 and name HB ))
(( segid "PAH2" and resid 315 and name HB1 ))
4.000 2.000 2.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.21655E-02 ppm1 1.604 ppm2 1.870 CV 1
ASSI { 1068}
(( segid "PAH2" and resid 381 and name HD1 ))
(( segid "PAH2" and resid 381 and name HB2 ))
3.800 1.800 1.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.19117E-02 ppm1 1.864 ppm2 3.550 CV 1
ASSI { 1069}
(( segid "PAH2" and resid 381 and name HD2 ))
(( segid "PAH2" and resid 381 and name HB2 ))
3.700 1.700 1.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.72066E-03 ppm1 1.864 ppm2 3.362 CV 1
ASSI { 1073}
(( segid "PAH2" and resid 322 and name HB1 ))
(( segid "PAH2" and resid 322 and name HB2 ))
1.800 0.400 0.400 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.12789E-01 ppm1 2.161 ppm2 2.455 CV 1
ASSI { 1080}
(( segid "PAH2" and resid 367 and name HA ))
(( segid "PAH2" and resid 367 and name HB1 ))
2.400 0.700 0.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.10895E-01 ppm1 2.042 ppm2 4.046 CV 1
ASSI { 1084}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 351 and name HB1 ))
4.400 2.400 1.600 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.40602E-03 ppm1 2.314 ppm2 -1.181 CV 1
ASSI { 1087}
(( segid "PAH2" and resid 319 and name HA ))
(( segid "PAH2" and resid 319 and name HG2 ))
3.100 1.200 1.200 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.23008E-02 ppm1 2.447 ppm2 4.071 CV 1
OR { 1087}
(( segid "PAH2" and resid 319 and name HA ))
(( segid "PAH2" and resid 319 and name HG1 ))
ASSI { 1088}
(( segid "PAH2" and resid 319 and name HB1 ))
(( segid "PAH2" and resid 319 and name HG1 ))
2.100 0.500 0.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.19624E-01 ppm1 2.447 ppm2 2.259 CV 1
OR { 1088}
(( segid "PAH2" and resid 319 and name HB1 ))
(( segid "PAH2" and resid 319 and name HG2 ))
ASSI { 1092}
(( segid "PAH2" and resid 336 and name HG1 ))
(( segid "PAH2" and resid 336 and name HG2 ))
1.700 0.400 0.500 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.21993E-01 ppm1 2.290 ppm2 2.556 CV 1
ASSI { 1095}
(( segid "PAH2" and resid 300 and name HA ))
(( segid "PAH2" and resid 300 and name HG2 ))
3.400 1.500 1.500 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.86448E-03 ppm1 2.261 ppm2 4.684 CV 1
ASSI { 1096}
(( segid "PAH2" and resid 300 and name HA ))
(( segid "PAH2" and resid 300 and name HG1 ))
3.800 1.800 1.800 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.94908E-03 ppm1 2.375 ppm2 4.686 CV 1
ASSI { 1097}
(( segid "PAH2" and resid 321 and name HA ))
(( segid "PAH2" and resid 321 and name HG2 ))
2.900 1.100 1.100 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.20301E-02 ppm1 2.381 ppm2 4.959 CV 1
ASSI { 1098}
(( segid "PAH2" and resid 321 and name HA ))
(( segid "PAH2" and resid 321 and name HG1 ))
3.200 1.300 1.300 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.24530E-02 ppm1 2.478 ppm2 4.954 CV 1
ASSI { 1100}
(( segid "PAH2" and resid 321 and name HB2 ))
(( segid "PAH2" and resid 321 and name HG1 ))
2.100 0.500 0.500 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.12840E-01 ppm1 2.479 ppm2 2.182 CV 1
ASSI { 1101}
(( segid "PAH2" and resid 356 and name HB2 ))
(( segid "PAH2" and resid 356 and name HG1 ))
2.300 0.700 0.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.81880E-02 ppm1 2.513 ppm2 2.065 CV 1
ASSI { 1102}
(( segid "PAH2" and resid 336 and name HG2 ))
(( segid "PAH2" and resid 336 and name HG1 ))
1.700 0.400 0.500 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.22501E-01 ppm1 2.556 ppm2 2.289 CV 1
OR { 1102}
(( segid "PAH2" and resid 336 and name HB2 ))
(( segid "PAH2" and resid 336 and name HG1 ))
ASSI { 1103}
(( segid "PAH2" and resid 300 and name HG2 ))
(( segid "PAH2" and resid 300 and name HG1 ))
1.600 0.300 0.600 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.25545E-01 ppm1 2.375 ppm2 2.265 CV 1
ASSI { 1106}
(( segid "PAH2" and resid 361 and name HG2 ))
(( segid "PAH2" and resid 361 and name HG1 ))
1.900 0.400 0.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.10844E-01 ppm1 2.714 ppm2 2.340 CV 1
ASSI { 1109}
(( segid "PAH2" and resid 361 and name HA ))
(( segid "PAH2" and resid 361 and name HG2 ))
2.600 0.900 0.900 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.37895E-02 ppm1 2.340 ppm2 3.948 CV 1
ASSI { 1110}
( segid "PAH2" and resid 360 and name HB% )
(( segid "PAH2" and resid 361 and name HG2 ))
4.200 2.200 1.800 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.36034E-03 ppm1 2.354 ppm2 1.550 CV 1
ASSI { 1112}
( segid "PAH2" and resid 324 and name HD1%)
(( segid "PAH2" and resid 321 and name HG2 ))
3.600 1.600 1.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.29944E-03 ppm1 2.380 ppm2 0.774 CV 1
ASSI { 1114}
( segid "PAH2" and resid 296 and name HD1%)
(( segid "PAH2" and resid 300 and name HG2 ))
3.600 3.600 2.400 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.28083E-03 ppm1 2.254 ppm2 0.878 CV 1
ASSI { 1116}
( segid "PAH2" and resid 360 and name HB% )
(( segid "PAH2" and resid 356 and name HG2 ))
4.200 2.200 1.800 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.26730E-03 ppm1 2.479 ppm2 1.522 CV 1
OR { 1116}
( segid "PAH2" and resid 360 and name HB% )
(( segid "PAH2" and resid 356 and name HG1 ))
ASSI { 1118}
(( segid "PAH2" and resid 356 and name HA ))
(( segid "PAH2" and resid 356 and name HG1 ))
3.000 1.100 1.100 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.20470E-02 ppm1 2.518 ppm2 4.090 CV 1
ASSI { 1127}
(( segid "PAH2" and resid 357 and name HA ))
(( segid "PAH2" and resid 357 and name HG2 ))
2.800 0.900 0.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.53967E-02 ppm1 2.375 ppm2 4.243 CV 1
OR { 1127}
(( segid "PAH2" and resid 357 and name HA ))
(( segid "PAH2" and resid 357 and name HG1 ))
ASSI { 1128}
(( segid "PAH2" and resid 303 and name HA ))
(( segid "PAH2" and resid 303 and name HG2 ))
2.800 1.000 1.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.38572E-02 ppm1 2.391 ppm2 4.431 CV 1
OR { 1128}
(( segid "PAH2" and resid 303 and name HA ))
(( segid "PAH2" and resid 303 and name HG1 ))
ASSI { 1131}
(( segid "PAH2" and resid 344 and name HB2 ))
(( segid "PAH2" and resid 344 and name HG1 ))
1.900 1.900 4.100 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.30283E-01 ppm1 2.399 ppm2 1.971 CV 1
ASSI { 1133}
(( segid "PAH2" and resid 344 and name HB2 ))
(( segid "PAH2" and resid 344 and name HG2 ))
2.400 0.700 0.700 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.11741E-01 ppm1 2.274 ppm2 1.980 CV 1
ASSI { 1138}
(( segid "PAH2" and resid 324 and name HA ))
(( segid "PAH2" and resid 324 and name HB ))
3.700 1.700 1.700 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.64791E-03 ppm1 1.565 ppm2 3.717 CV 1
ASSI { 1139}
(( segid "PAH2" and resid 321 and name HB1 ))
(( segid "PAH2" and resid 324 and name HB ))
3.900 1.900 1.900 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.85436E-03 ppm1 1.558 ppm2 2.396 CV 1
OR { 1139}
(( segid "PAH2" and resid 321 and name HG2 ))
(( segid "PAH2" and resid 324 and name HB ))
ASSI { 1140}
(( segid "PAH2" and resid 324 and name HG12))
(( segid "PAH2" and resid 324 and name HB ))
3.300 1.400 1.400 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.12570E-02 ppm1 1.576 ppm2 1.195 CV 1
ASSI { 1141}
( segid "PAH2" and resid 324 and name HD1%)
(( segid "PAH2" and resid 324 and name HB ))
3.400 1.400 1.400 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.12383E-02 ppm1 1.567 ppm2 0.781 CV 1
ASSI { 1142}
( segid "PAH2" and resid 324 and name HG2%)
(( segid "PAH2" and resid 324 and name HB ))
2.500 0.800 0.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.37895E-02 ppm1 1.568 ppm2 0.027 CV 1
ASSI { 1143}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 375 and name HG2 ))
4.900 3.000 1.100 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.21993E-03 ppm1 2.408 ppm2 -1.029 CV 1
OR { 1143}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 375 and name HG1 ))
ASSI { 1145}
(( segid "PAH2" and resid 366 and name HB1 ))
(( segid "PAH2" and resid 366 and name HB2 ))
2.000 0.500 0.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.60396E-02 ppm1 2.921 ppm2 3.784 CV 1
ASSI { 1149}
(( segid "PAH2" and resid 362 and name HB ))
(( segid "PAH2" and resid 362 and name HA ))
2.900 1.000 1.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.22839E-02 ppm1 2.938 ppm2 1.359 CV 1
ASSI { 1154}
( segid "PAH2" and resid 362 and name HG2%)
(( segid "PAH2" and resid 362 and name HA ))
2.800 1.000 1.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.31805E-02 ppm1 2.937 ppm2 -0.379 CV 1
ASSI { 1161}
(( segid "PAH2" and resid 371 and name HA ))
(( segid "PAH2" and resid 371 and name HB2 ))
2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.99645E-02 ppm1 2.718 ppm2 4.400 CV 1
ASSI { 1173}
(( segid "PAH2" and resid 368 and name HA ))
(( segid "PAH2" and resid 368 and name HB1 ))
3.000 1.100 1.100 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.23515E-02 ppm1 3.134 ppm2 4.840 CV 1
ASSI { 1180}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 310 and name HB1 ))
2.800 1.000 1.000 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.17425E-02 ppm1 3.331 ppm2 -1.032 CV 1
ASSI { 1182}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 325 and name HB1 ))
2.700 0.900 0.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.29437E-02 ppm1 3.153 ppm2 -0.932 CV 1
ASSI { 1185}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 325 and name HB1 ))
5.300 3.600 0.700 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.16850E-03 ppm1 3.148 ppm2 -1.203 CV 1
OR { 1185}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 325 and name HB2 ))
ASSI { 1187}
(( segid "PAH2" and resid 309 and name HB2 ))
(( segid "PAH2" and resid 309 and name HB1 ))
1.600 0.300 0.600 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.30959E-01 ppm1 3.070 ppm2 2.902 CV 1
ASSI { 1188}
(( segid "PAH2" and resid 341 and name HB2 ))
(( segid "PAH2" and resid 341 and name HB1 ))
1.800 0.400 0.400 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.14904E-01 ppm1 2.731 ppm2 2.408 CV 1
ASSI { 1189}
(( segid "PAH2" and resid 348 and name HB1 ))
(( segid "PAH2" and resid 348 and name HB2 ))
1.400 0.200 0.800 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.80694E-01 ppm1 2.753 ppm2 2.878 CV 1
ASSI { 1190}
(( segid "PAH2" and resid 305 and name HB1 ))
(( segid "PAH2" and resid 305 and name HB2 ))
1.300 0.200 0.900 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.99136E-01 ppm1 2.833 ppm2 2.940 CV 1
ASSI { 1195}
(( segid "PAH2" and resid 355 and name HG1 ))
(( segid "PAH2" and resid 355 and name HG2 ))
1.900 0.400 0.400 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.12383E-01 ppm1 2.111 ppm2 2.262 CV 1
ASSI { 1197}
(( segid "PAH2" and resid 305 and name HA ))
(( segid "PAH2" and resid 308 and name HB ))
2.900 1.000 1.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.29605E-02 ppm1 1.861 ppm2 4.384 CV 1
ASSI { 1198}
(( segid "PAH2" and resid 355 and name HA ))
(( segid "PAH2" and resid 355 and name HG1 ))
3.500 1.500 1.500 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.11673E-02 ppm1 2.261 ppm2 3.596 CV 1
ASSI { 1201}
(( segid "PAH2" and resid 355 and name HB2 ))
(( segid "PAH2" and resid 355 and name HG2 ))
3.400 1.500 1.500 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.17425E-02 ppm1 2.110 ppm2 1.800 CV 1
ASSI { 1202}
(( segid "PAH2" and resid 355 and name HB2 ))
(( segid "PAH2" and resid 355 and name HG1 ))
3.200 1.300 1.300 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.10066E-02 ppm1 2.267 ppm2 1.797 CV 1
ASSI { 1206}
(( segid "PAH2" and resid 310 and name HB2 ))
(( segid "PAH2" and resid 310 and name HB1 ))
1.700 0.400 0.500 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.13805E-01 ppm1 3.329 ppm2 2.942 CV 1
ASSI { 1208}
(( segid "PAH2" and resid 368 and name HB1 ))
(( segid "PAH2" and resid 368 and name HB2 ))
1.800 0.400 0.400 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.18440E-01 ppm1 2.989 ppm2 3.134 CV 1
ASSI { 1210}
(( segid "PAH2" and resid 314 and name HG11))
(( segid "PAH2" and resid 314 and name HB ))
2.500 0.800 0.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.33835E-02 ppm1 1.840 ppm2 1.062 CV 1
ASSI { 1211}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 331 and name HB ))
2.200 0.600 0.600 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.98291E-02 ppm1 1.807 ppm2 0.826 CV 1
ASSI { 1212}
( segid "PAH2" and resid 331 and name HD1%)
(( segid "PAH2" and resid 331 and name HB ))
2.500 0.800 0.800 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.61408E-02 ppm1 1.802 ppm2 0.722 CV 1
ASSI { 1213}
(( segid "PAH2" and resid 331 and name HG12))
(( segid "PAH2" and resid 331 and name HB ))
3.100 1.200 1.200 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.25884E-02 ppm1 1.813 ppm2 1.048 CV 1
ASSI { 1215}
(( segid "PAH2" and resid 371 and name HB1 ))
(( segid "PAH2" and resid 371 and name HB2 ))
1.500 0.300 0.700 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.61408E-01 ppm1 2.718 ppm2 2.886 CV 1
ASSI { 1216}
(( segid "PAH2" and resid 312 and name HB1 ))
(( segid "PAH2" and resid 309 and name HB2 ))
1.600 1.600 4.400 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.31805E-01 ppm1 2.888 ppm2 2.715 CV 1
ASSI { 1217}
(( segid "PAH2" and resid 328 and name HB2 ))
(( segid "PAH2" and resid 328 and name HB1 ))
1.800 0.400 0.400 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.97447E-02 ppm1 3.394 ppm2 3.001 CV 1
ASSI { 1220}
(( segid "PAH2" and resid 317 and name HG2 ))
(( segid "PAH2" and resid 317 and name HD2 ))
2.900 1.000 1.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.22162E-02 ppm1 3.049 ppm2 0.503 CV 1
ASSI { 1225}
(( segid "PAH2" and resid 323 and name HB2 ))
(( segid "PAH2" and resid 323 and name HB1 ))
1.600 0.300 0.600 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.40433E-01 ppm1 2.711 ppm2 2.607 CV 1
ASSI { 1230}
(( segid "PAH2" and resid 349 and name HB1 ))
(( segid "PAH2" and resid 349 and name HB2 ))
1.800 0.400 0.400 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.13703E-01 ppm1 2.776 ppm2 2.963 CV 1
ASSI { 1233}
(( segid "PAH2" and resid 382 and name HB2 ))
(( segid "PAH2" and resid 382 and name HB1 ))
1.800 0.400 0.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.22501E-01 ppm1 2.627 ppm2 2.441 CV 1
ASSI { 1237}
(( segid "PAH2" and resid 332 and name HB2 ))
(( segid "PAH2" and resid 332 and name HB1 ))
2.000 0.500 0.500 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.48215E-02 ppm1 1.810 ppm2 1.283 CV 1
ASSI { 1238}
( segid "PAH2" and resid 332 and name HD2%)
(( segid "PAH2" and resid 332 and name HB2 ))
3.800 1.800 1.800 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.64288E-03 ppm1 1.258 ppm2 0.388 CV 1
ASSI { 1246}
( segid "PAH2" and resid 349 and name HD% )
(( segid "PAH2" and resid 349 and name HB2 ))
2.800 1.000 1.000 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.26391E-02 ppm1 2.776 ppm2 -1.071 CV 1
ASSI { 1248}
(( segid "PAH2" and resid 324 and name HA ))
( segid "PAH2" and resid 324 and name HD1%)
3.300 1.400 1.400 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.28760E-02 ppm1 0.774 ppm2 3.716 CV 1
ASSI { 1251}
(( segid "PAH2" and resid 321 and name HB1 ))
( segid "PAH2" and resid 324 and name HD1%)
3.000 1.100 1.100 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.27406E-02 ppm1 0.773 ppm2 2.375 CV 1
OR { 1251}
(( segid "PAH2" and resid 321 and name HG2 ))
( segid "PAH2" and resid 324 and name HD1%)
ASSI { 1252}
(( segid "PAH2" and resid 321 and name HB2 ))
( segid "PAH2" and resid 324 and name HD1%)
3.100 1.200 1.200 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.16681E-02 ppm1 0.772 ppm2 2.190 CV 1
ASSI { 1254}
(( segid "PAH2" and resid 324 and name HG11))
( segid "PAH2" and resid 324 and name HD1%)
2.300 0.600 0.600 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.98291E-02 ppm1 0.773 ppm2 1.523 CV 1
OR { 1254}
(( segid "PAH2" and resid 324 and name HB ))
( segid "PAH2" and resid 324 and name HD1%)
ASSI { 1255}
(( segid "PAH2" and resid 324 and name HG12))
( segid "PAH2" and resid 324 and name HD1%)
2.400 0.700 0.700 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.71222E-02 ppm1 0.773 ppm2 1.186 CV 1
ASSI { 1256}
( segid "PAH2" and resid 324 and name HG2%)
( segid "PAH2" and resid 324 and name HD1%)
2.500 0.800 0.800 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.65641E-02 ppm1 0.773 ppm2 0.025 CV 1
ASSI { 1258}
(( segid "PAH2" and resid 329 and name HB1 ))
(( segid "PAH2" and resid 329 and name HB2 ))
1.900 0.500 0.500 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.70378E-02 ppm1 1.096 ppm2 1.800 CV 1
ASSI { 1259}
(( segid "PAH2" and resid 372 and name HB1 ))
(( segid "PAH2" and resid 372 and name HB2 ))
2.000 0.500 0.500 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.43309E-02 ppm1 0.976 ppm2 1.633 CV 1
ASSI { 1261}
(( segid "PAH2" and resid 329 and name HG ))
(( segid "PAH2" and resid 329 and name HB2 ))
3.600 1.600 1.600 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.91861E-03 ppm1 1.086 ppm2 1.429 CV 1
ASSI { 1268}
( segid "PAH2" and resid 318 and name HE% )
( segid "PAH2" and resid 324 and name HD1%)
3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.71390E-03 ppm1 0.771 ppm2 -1.032 CV 1
ASSI { 1270}
(( segid "PAH2" and resid 329 and name HA ))
(( segid "PAH2" and resid 329 and name HB1 ))
3.600 1.600 1.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.81371E-03 ppm1 1.802 ppm2 3.484 CV 1
ASSI { 1277}
(( segid "PAH2" and resid 373 and name HB1 ))
(( segid "PAH2" and resid 373 and name HB2 ))
1.900 0.400 0.400 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.98124E-02 ppm1 1.724 ppm2 2.151 CV 1
ASSI { 1285}
(( segid "PAH2" and resid 296 and name HA ))
(( segid "PAH2" and resid 296 and name HB1 ))
3.100 1.200 1.200 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.15767E-02 ppm1 1.607 ppm2 4.282 CV 1
ASSI { 1288}
(( segid "PAH2" and resid 380 and name HA ))
(( segid "PAH2" and resid 380 and name HB1 ))
3.300 1.300 1.300 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.10996E-02 ppm1 1.470 ppm2 4.531 CV 1
ASSI { 1289}
(( segid "PAH2" and resid 296 and name HB1 ))
(( segid "PAH2" and resid 296 and name HB2 ))
1.600 0.300 0.600 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.33497E-01 ppm1 1.491 ppm2 1.611 CV 1
OR { 1289}
(( segid "PAH2" and resid 296 and name HG ))
(( segid "PAH2" and resid 296 and name HB2 ))
ASSI { 1291}
(( segid "PAH2" and resid 365 and name HB1 ))
(( segid "PAH2" and resid 365 and name HB2 ))
1.800 0.400 0.400 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.93214E-02 ppm1 1.317 ppm2 1.490 CV 1
ASSI { 1292}
(( segid "PAH2" and resid 365 and name HG ))
(( segid "PAH2" and resid 365 and name HB2 ))
2.600 0.900 0.900 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.42294E-02 ppm1 1.317 ppm2 1.612 CV 1
ASSI { 1293}
(( segid "PAH2" and resid 296 and name HB2 ))
(( segid "PAH2" and resid 296 and name HB1 ))
1.500 0.300 0.700 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.39587E-01 ppm1 1.609 ppm2 1.494 CV 1
ASSI { 1294}
( segid "PAH2" and resid 365 and name HD1%)
(( segid "PAH2" and resid 365 and name HB2 ))
2.700 0.900 0.900 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.38910E-02 ppm1 1.313 ppm2 0.769 CV 1
OR { 1294}
( segid "PAH2" and resid 365 and name HD2%)
(( segid "PAH2" and resid 365 and name HB2 ))
ASSI { 1296}
( segid "PAH2" and resid 296 and name HD1%)
(( segid "PAH2" and resid 296 and name HB1 ))
2.900 1.000 1.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.31974E-02 ppm1 1.611 ppm2 0.877 CV 1
ASSI { 1297}
(( segid "PAH2" and resid 380 and name HB2 ))
(( segid "PAH2" and resid 380 and name HB1 ))
2.000 0.500 0.500 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.73252E-02 ppm1 1.471 ppm2 1.003 CV 1
ASSI { 1298}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 380 and name HB1 ))
3.000 1.100 1.100 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.24869E-02 ppm1 1.471 ppm2 0.491 CV 1
OR { 1298}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 380 and name HB1 ))
ASSI { 1301}
(( segid "PAH2" and resid 362 and name HA ))
(( segid "PAH2" and resid 365 and name HB2 ))
3.300 1.300 1.300 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.94064E-03 ppm1 1.313 ppm2 2.942 CV 1
ASSI { 1303}
(( segid "PAH2" and resid 305 and name HA ))
( segid "PAH2" and resid 308 and name HD1%)
3.800 1.800 1.800 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.16156E-02 ppm1 0.633 ppm2 4.383 CV 1
ASSI { 1304}
(( segid "PAH2" and resid 308 and name HA ))
( segid "PAH2" and resid 308 and name HD1%)
2.800 1.000 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.21316E-02 ppm1 0.630 ppm2 3.441 CV 1
ASSI { 1305}
(( segid "PAH2" and resid 305 and name HB2 ))
( segid "PAH2" and resid 308 and name HD1%)
5.000 3.200 1.000 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.40433E-03 ppm1 0.630 ppm2 2.838 CV 1
ASSI { 1307}
(( segid "PAH2" and resid 308 and name HB ))
( segid "PAH2" and resid 308 and name HD1%)
3.300 1.400 1.400 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.31805E-02 ppm1 0.631 ppm2 1.860 CV 1
ASSI { 1308}
(( segid "PAH2" and resid 308 and name HG12))
( segid "PAH2" and resid 308 and name HD1%)
2.000 0.500 0.500 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.19624E-01 ppm1 0.631 ppm2 0.799 CV 1
OR { 1308}
( segid "PAH2" and resid 308 and name HG2%)
( segid "PAH2" and resid 308 and name HD1%)
ASSI { 1309}
( segid "PAH2" and resid 304 and name HE% )
( segid "PAH2" and resid 308 and name HD1%)
3.100 1.200 1.200 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 0.633 ppm2 -0.784 CV 1
OR { 1309}
( segid "PAH2" and resid 304 and name HD% )
( segid "PAH2" and resid 308 and name HD1%)
ASSI { 1310}
(( segid "PAH2" and resid 373 and name HA ))
(( segid "PAH2" and resid 373 and name HB1 ))
3.300 1.400 1.400 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.96771E-03 ppm1 2.145 ppm2 4.451 CV 1
ASSI { 1311}
(( segid "PAH2" and resid 370 and name HA ))
(( segid "PAH2" and resid 373 and name HB1 ))
3.700 1.700 1.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.97950E-03 ppm1 2.154 ppm2 3.999 CV 1
ASSI { 1314}
( segid "PAH2" and resid 311 and name HG1%)
(( segid "PAH2" and resid 315 and name HE2 ))
3.200 1.300 1.300 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.15632E-02 ppm1 2.834 ppm2 1.106 CV 1
OR { 1314}
( segid "PAH2" and resid 311 and name HG1%)
(( segid "PAH2" and resid 315 and name HE1 ))
ASSI { 1315}
(( segid "PAH2" and resid 315 and name HD2 ))
(( segid "PAH2" and resid 315 and name HE2 ))
2.200 0.600 0.600 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.12654E-01 ppm1 2.838 ppm2 1.466 CV 1
OR { 1315}
(( segid "PAH2" and resid 315 and name HD1 ))
(( segid "PAH2" and resid 315 and name HE1 ))
OR { 1315}
(( segid "PAH2" and resid 315 and name HD2 ))
(( segid "PAH2" and resid 315 and name HE1 ))
OR { 1315}
(( segid "PAH2" and resid 315 and name HD1 ))
(( segid "PAH2" and resid 315 and name HE2 ))
ASSI { 1316}
(( segid "PAH2" and resid 313 and name HD2 ))
(( segid "PAH2" and resid 313 and name HE2 ))
2.600 0.800 0.800 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.42125E-02 ppm1 2.836 ppm2 1.696 CV 1
OR { 1316}
(( segid "PAH2" and resid 313 and name HD1 ))
(( segid "PAH2" and resid 313 and name HE2 ))
ASSI { 1318}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 313 and name HE2 ))
2.600 0.900 0.900 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.72575E-02 ppm1 2.837 ppm2 1.567 CV 1
ASSI { 1319}
(( segid "PAH2" and resid 315 and name HG1 ))
(( segid "PAH2" and resid 315 and name HE1 ))
2.800 1.000 1.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.42971E-02 ppm1 2.838 ppm2 0.788 CV 1
OR { 1319}
(( segid "PAH2" and resid 315 and name HG2 ))
(( segid "PAH2" and resid 315 and name HE1 ))
OR { 1319}
(( segid "PAH2" and resid 315 and name HG2 ))
(( segid "PAH2" and resid 315 and name HE2 ))
OR { 1319}
(( segid "PAH2" and resid 315 and name HG1 ))
(( segid "PAH2" and resid 315 and name HE2 ))
ASSI { 1320}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 315 and name HE1 ))
3.600 1.600 1.600 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.65977E-03 ppm1 2.839 ppm2 -1.200 CV 1
OR { 1320}
( segid "PAH2" and resid 325 and name HE% )
(( segid "PAH2" and resid 315 and name HE2 ))
ASSI { 1321}
( segid "PAH2" and resid 372 and name HD1%)
(( segid "PAH2" and resid 313 and name HE2 ))
3.400 1.400 1.400 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.81880E-03 ppm1 2.837 ppm2 0.539 CV 1
ASSI { 1322}
( segid "PAH2" and resid 372 and name HD1%)
(( segid "PAH2" and resid 313 and name HE1 ))
3.900 1.900 1.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.44832E-03 ppm1 2.946 ppm2 0.539 CV 1
ASSI { 1323}
(( segid "PAH2" and resid 313 and name HG2 ))
(( segid "PAH2" and resid 313 and name HE1 ))
3.600 1.600 1.600 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.71898E-03 ppm1 2.945 ppm2 1.157 CV 1
ASSI { 1324}
(( segid "PAH2" and resid 313 and name HG2 ))
(( segid "PAH2" and resid 313 and name HE2 ))
3.200 1.300 1.300 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.16055E-02 ppm1 2.834 ppm2 1.167 CV 1
ASSI { 1329}
(( segid "PAH2" and resid 367 and name HD1 ))
(( segid "PAH2" and resid 367 and name HE1 ))
2.600 0.800 0.800 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.47876E-02 ppm1 3.063 ppm2 1.777 CV 1
OR { 1329}
(( segid "PAH2" and resid 367 and name HD2 ))
(( segid "PAH2" and resid 367 and name HE2 ))
OR { 1329}
(( segid "PAH2" and resid 367 and name HD2 ))
(( segid "PAH2" and resid 367 and name HE1 ))
OR { 1329}
(( segid "PAH2" and resid 367 and name HD1 ))
(( segid "PAH2" and resid 367 and name HE2 ))
ASSI { 1330}
(( segid "PAH2" and resid 367 and name HG2 ))
(( segid "PAH2" and resid 367 and name HE2 ))
2.800 1.000 1.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.33666E-02 ppm1 3.064 ppm2 1.486 CV 1
OR { 1330}
(( segid "PAH2" and resid 367 and name HG1 ))
(( segid "PAH2" and resid 367 and name HE1 ))
OR { 1330}
(( segid "PAH2" and resid 367 and name HG2 ))
(( segid "PAH2" and resid 367 and name HE1 ))
OR { 1330}
(( segid "PAH2" and resid 367 and name HG1 ))
(( segid "PAH2" and resid 367 and name HE2 ))
ASSI { 1331}
( segid "PAH2" and resid 354 and name HG2%)
(( segid "PAH2" and resid 354 and name HB ))
2.400 0.700 0.700 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.79341E-02 ppm1 4.763 ppm2 1.334 CV 1
ASSI { 1333}
(( segid "PAH2" and resid 340 and name HG1 ))
(( segid "PAH2" and resid 340 and name HD1 ))
2.400 0.700 0.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.76131E-02 ppm1 3.170 ppm2 1.730 CV 1
OR { 1333}
(( segid "PAH2" and resid 340 and name HG1 ))
(( segid "PAH2" and resid 340 and name HD2 ))
ASSI { 1334}
(( segid "PAH2" and resid 340 and name HB1 ))
(( segid "PAH2" and resid 340 and name HD2 ))
2.300 0.600 0.600 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.12756E-01 ppm1 3.173 ppm2 1.904 CV 1
OR { 1334}
(( segid "PAH2" and resid 340 and name HB1 ))
(( segid "PAH2" and resid 340 and name HD1 ))
OR { 1334}
(( segid "PAH2" and resid 340 and name HB2 ))
(( segid "PAH2" and resid 340 and name HD1 ))
OR { 1334}
(( segid "PAH2" and resid 340 and name HB2 ))
(( segid "PAH2" and resid 340 and name HD2 ))
ASSI { 1337}
(( segid "PAH2" and resid 361 and name HA ))
(( segid "PAH2" and resid 364 and name HD1 ))
3.300 1.400 1.400 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 3.229 ppm2 3.949 CV 1
OR { 1337}
(( segid "PAH2" and resid 361 and name HA ))
(( segid "PAH2" and resid 364 and name HD2 ))
ASSI { 1338}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 364 and name HD2 ))
3.900 1.900 1.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 3.219 ppm2 4.061 CV 1
OR { 1338}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 364 and name HD1 ))
ASSI { 1339}
(( segid "PAH2" and resid 364 and name HG1 ))
(( segid "PAH2" and resid 364 and name HD1 ))
2.200 0.600 0.600 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.13974E-01 ppm1 3.221 ppm2 1.831 CV 1
OR { 1339}
(( segid "PAH2" and resid 364 and name HG1 ))
(( segid "PAH2" and resid 364 and name HD2 ))
OR { 1339}
(( segid "PAH2" and resid 364 and name HB2 ))
(( segid "PAH2" and resid 364 and name HD2 ))
OR { 1339}
(( segid "PAH2" and resid 364 and name HB1 ))
(( segid "PAH2" and resid 364 and name HD2 ))
OR { 1339}
(( segid "PAH2" and resid 364 and name HB2 ))
(( segid "PAH2" and resid 364 and name HD1 ))
ASSI { 1341}
(( segid "PAH2" and resid 353 and name HA ))
(( segid "PAH2" and resid 353 and name HB1 ))
3.200 1.300 1.300 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.16410E-02 ppm1 1.674 ppm2 4.668 CV 1
ASSI { 1343}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 353 and name HB2 ))
2.800 1.000 1.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.31466E-02 ppm1 1.554 ppm2 0.936 CV 1
OR { 1343}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 353 and name HB2 ))
ASSI { 1344}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 353 and name HB1 ))
2.700 0.900 0.900 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.39756E-02 ppm1 1.677 ppm2 0.934 CV 1
OR { 1344}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 353 and name HB1 ))
ASSI { 1346}
(( segid "PAH2" and resid 353 and name HB2 ))
(( segid "PAH2" and resid 353 and name HB1 ))
1.600 0.300 0.600 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.20132E-01 ppm1 1.675 ppm2 1.557 CV 1
ASSI { 1349}
(( segid "PAH2" and resid 366 and name HZ ))
( segid "PAH2" and resid 314 and name HD1%)
3.300 1.300 1.300 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.16326E-02 ppm1 -0.016 ppm2 6.204 CV 1
ASSI { 1350}
(( segid "PAH2" and resid 311 and name HA ))
( segid "PAH2" and resid 314 and name HD1%)
2.800 1.000 1.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.24023E-02 ppm1 -0.014 ppm2 3.424 CV 1
ASSI { 1351}
(( segid "PAH2" and resid 314 and name HA ))
( segid "PAH2" and resid 314 and name HD1%)
4.600 2.700 1.400 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.77988E-03 ppm1 -0.012 ppm2 3.169 CV 1
ASSI { 1352}
(( segid "PAH2" and resid 314 and name HB ))
( segid "PAH2" and resid 314 and name HD1%)
2.700 0.900 0.900 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.31297E-02 ppm1 -0.014 ppm2 1.862 CV 1
ASSI { 1354}
( segid "PAH2" and resid 372 and name HD1%)
( segid "PAH2" and resid 314 and name HD1%)
3.700 1.700 1.700 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.21485E-02 ppm1 -0.014 ppm2 0.533 CV 1
ASSI { 1355}
(( segid "PAH2" and resid 314 and name HG12))
( segid "PAH2" and resid 314 and name HD1%)
2.400 0.700 0.700 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.45677E-02 ppm1 -0.014 ppm2 0.404 CV 1
ASSI { 1356}
( segid "PAH2" and resid 372 and name HD2%)
( segid "PAH2" and resid 314 and name HD1%)
3.300 1.300 1.300 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.32312E-02 ppm1 -0.013 ppm2 0.209 CV 1
ASSI { 1357}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 314 and name HD1%)
2.900 1.000 1.000 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.10658E-02 ppm1 -0.013 ppm2 -0.780 CV 1
ASSI { 1358}
( segid "PAH2" and resid 310 and name HD% )
( segid "PAH2" and resid 314 and name HD1%)
3.100 1.200 1.200 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.15327E-02 ppm1 -0.015 ppm2 -1.020 CV 1
ASSI { 1359}
( segid "PAH2" and resid 310 and name HE% )
( segid "PAH2" and resid 314 and name HD1%)
2.600 0.800 0.800 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.32651E-02 ppm1 -0.015 ppm2 -1.160 CV 1
ASSI { 1361}
(( segid "PAH2" and resid 331 and name HA ))
( segid "PAH2" and resid 331 and name HD1%)
4.400 2.400 1.600 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.11131E-02 ppm1 0.713 ppm2 3.737 CV 1
ASSI { 1363}
(( segid "PAH2" and resid 362 and name HA ))
( segid "PAH2" and resid 331 and name HD1%)
3.100 1.200 1.200 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.13838E-02 ppm1 0.717 ppm2 2.940 CV 1
ASSI { 1364}
(( segid "PAH2" and resid 361 and name HG1 ))
( segid "PAH2" and resid 331 and name HD1%)
4.500 2.500 1.500 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.45847E-03 ppm1 0.721 ppm2 2.721 CV 1
ASSI { 1365}
(( segid "PAH2" and resid 361 and name HG2 ))
( segid "PAH2" and resid 331 and name HD1%)
4.200 2.200 1.800 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.87801E-03 ppm1 0.716 ppm2 2.336 CV 1
ASSI { 1366}
(( segid "PAH2" and resid 361 and name HB2 ))
( segid "PAH2" and resid 331 and name HD1%)
2.500 0.800 0.800 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.58025E-02 ppm1 0.718 ppm2 2.050 CV 1
ASSI { 1367}
(( segid "PAH2" and resid 331 and name HG11))
( segid "PAH2" and resid 331 and name HD1%)
2.200 0.600 0.600 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.95585E-02 ppm1 0.717 ppm2 1.809 CV 1
OR { 1367}
(( segid "PAH2" and resid 331 and name HB ))
( segid "PAH2" and resid 331 and name HD1%)
ASSI { 1369}
(( segid "PAH2" and resid 331 and name HG12))
( segid "PAH2" and resid 331 and name HD1%)
2.300 0.600 0.600 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.82724E-02 ppm1 0.717 ppm2 1.041 CV 1
ASSI { 1370}
( segid "PAH2" and resid 362 and name HG1%)
( segid "PAH2" and resid 331 and name HD1%)
2.600 0.900 0.900 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.71054E-02 ppm1 0.718 ppm2 0.540 CV 1
ASSI { 1373}
( segid "PAH2" and resid 328 and name HD% )
( segid "PAH2" and resid 331 and name HD1%)
4.500 2.500 1.500 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.20132E-03 ppm1 0.713 ppm2 -1.155 CV 1
ASSI { 1374}
(( segid "PAH2" and resid 324 and name HB ))
( segid "PAH2" and resid 324 and name HG2%)
2.200 0.600 0.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.11098E-01 ppm1 0.025 ppm2 1.551 CV 1
OR { 1374}
(( segid "PAH2" and resid 324 and name HG11))
( segid "PAH2" and resid 324 and name HG2%)
ASSI { 1376}
(( segid "PAH2" and resid 365 and name HA ))
( segid "PAH2" and resid 324 and name HG2%)
4.000 2.000 2.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.60564E-03 ppm1 0.026 ppm2 4.032 CV 1
ASSI { 1377}
(( segid "PAH2" and resid 365 and name HB2 ))
( segid "PAH2" and resid 324 and name HG2%)
3.700 1.700 1.700 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.14329E-02 ppm1 0.024 ppm2 1.317 CV 1
ASSI { 1378}
(( segid "PAH2" and resid 324 and name HG12))
( segid "PAH2" and resid 324 and name HG2%)
2.900 1.100 1.100 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.25207E-02 ppm1 0.024 ppm2 1.192 CV 1
ASSI { 1381}
( segid "PAH2" and resid 318 and name HE% )
( segid "PAH2" and resid 324 and name HG2%)
3.600 1.600 1.600 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.93388E-03 ppm1 0.020 ppm2 -1.038 CV 1
ASSI { 1382}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 324 and name HG2%)
3.000 1.100 1.100 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.17594E-02 ppm1 0.023 ppm2 -1.161 CV 1
ASSI { 1384}
(( segid "PAH2" and resid 377 and name HA2 ))
(( segid "PAH2" and resid 377 and name HA1 ))
1.600 0.300 0.600 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.36880E-01 ppm1 4.099 ppm2 3.901 CV 1
ASSI { 1389}
(( segid "PAH2" and resid 346 and name HA1 ))
(( segid "PAH2" and resid 346 and name HA2 ))
1.700 0.300 0.500 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.30790E-01 ppm1 3.925 ppm2 4.046 CV 1
ASSI { 1391}
(( segid "PAH2" and resid 309 and name HA ))
( segid "PAH2" and resid 308 and name HG2%)
3.200 1.200 1.200 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.18948E-02 ppm1 0.813 ppm2 4.419 CV 1
ASSI { 1392}
(( segid "PAH2" and resid 308 and name HA ))
( segid "PAH2" and resid 308 and name HG2%)
2.900 1.000 1.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.24869E-02 ppm1 0.813 ppm2 3.443 CV 1
ASSI { 1394}
(( segid "PAH2" and resid 308 and name HB ))
( segid "PAH2" and resid 308 and name HG2%)
2.400 0.700 0.700 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.63947E-02 ppm1 0.813 ppm2 1.859 CV 1
ASSI { 1395}
( segid "PAH2" and resid 308 and name HD1%)
( segid "PAH2" and resid 308 and name HG2%)
2.600 0.900 0.900 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.45339E-02 ppm1 0.814 ppm2 0.641 CV 1
ASSI { 1398}
(( segid "PAH2" and resid 373 and name HG ))
( segid "PAH2" and resid 363 and name HB% )
3.100 1.200 1.200 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.24023E-02 ppm1 1.220 ppm2 1.858 CV 1
ASSI { 1399}
( segid "PAH2" and resid 360 and name HB% )
( segid "PAH2" and resid 363 and name HB% )
3.200 1.300 1.300 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.35188E-02 ppm1 1.217 ppm2 1.559 CV 1
ASSI { 1404}
( segid "PAH2" and resid 359 and name HE% )
( segid "PAH2" and resid 363 and name HB% )
3.800 1.800 1.800 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.55828E-03 ppm1 1.218 ppm2 -1.155 CV 1
ASSI { 1405}
(( segid "PAH2" and resid 366 and name HZ ))
( segid "PAH2" and resid 314 and name HG2%)
3.300 1.400 1.400 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.10557E-02 ppm1 0.819 ppm2 6.202 CV 1
ASSI { 1406}
(( segid "PAH2" and resid 325 and name HA ))
( segid "PAH2" and resid 314 and name HG2%)
4.000 2.000 2.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.50245E-03 ppm1 0.824 ppm2 4.171 CV 1
ASSI { 1410}
(( segid "PAH2" and resid 314 and name HA ))
( segid "PAH2" and resid 314 and name HG2%)
2.600 0.900 0.900 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.37049E-02 ppm1 0.823 ppm2 3.167 CV 1
ASSI { 1418}
(( segid "PAH2" and resid 314 and name HG12))
( segid "PAH2" and resid 314 and name HG2%)
2.500 0.800 0.800 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.36542E-02 ppm1 0.826 ppm2 0.412 CV 1
ASSI { 1420}
( segid "PAH2" and resid 314 and name HD1%)
( segid "PAH2" and resid 314 and name HG2%)
2.500 0.800 0.800 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.42632E-02 ppm1 0.821 ppm2 -0.008 CV 1
ASSI { 1426}
( segid "PAH2" and resid 304 and name HD% )
( segid "PAH2" and resid 307 and name HB% )
3.800 1.900 1.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.83574E-03 ppm1 1.391 ppm2 -0.781 CV 1
OR { 1426}
( segid "PAH2" and resid 304 and name HE% )
( segid "PAH2" and resid 307 and name HB% )
ASSI { 1427}
(( segid "PAH2" and resid 308 and name HG12))
( segid "PAH2" and resid 307 and name HB% )
3.800 1.800 1.800 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.10370E-02 ppm1 1.394 ppm2 0.780 CV 1
OR { 1427}
( segid "PAH2" and resid 308 and name HG2%)
( segid "PAH2" and resid 307 and name HB% )
ASSI { 1428}
(( segid "PAH2" and resid 308 and name HG11))
( segid "PAH2" and resid 307 and name HB% )
3.700 1.700 1.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.39079E-02 ppm1 1.394 ppm2 1.208 CV 1
ASSI { 1430}
(( segid "PAH2" and resid 307 and name HA ))
( segid "PAH2" and resid 307 and name HB% )
2.600 0.800 0.800 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.42971E-02 ppm1 1.396 ppm2 4.000 CV 1
ASSI { 1432}
( segid "PAH2" and resid 349 and name HE% )
( segid "PAH2" and resid 342 and name HB% )
3.800 1.800 1.800 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.10015E-02 ppm1 1.440 ppm2 -1.183 CV 1
ASSI { 1435}
(( segid "PAH2" and resid 351 and name HG1 ))
( segid "PAH2" and resid 342 and name HB% )
2.800 1.000 1.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.25376E-02 ppm1 1.439 ppm2 2.070 CV 1
ASSI { 1436}
(( segid "PAH2" and resid 351 and name HB1 ))
( segid "PAH2" and resid 342 and name HB% )
3.200 1.200 1.200 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.16562E-02 ppm1 1.439 ppm2 2.302 CV 1
ASSI { 1438}
(( segid "PAH2" and resid 349 and name HB2 ))
( segid "PAH2" and resid 342 and name HB% )
4.800 2.900 1.200 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 1.440 ppm2 2.776 CV 1
ASSI { 1439}
(( segid "PAH2" and resid 349 and name HB1 ))
( segid "PAH2" and resid 342 and name HB% )
4.000 2.000 2.000 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.72916E-03 ppm1 1.438 ppm2 2.971 CV 1
ASSI { 1440}
(( segid "PAH2" and resid 342 and name HA ))
( segid "PAH2" and resid 342 and name HB% )
2.100 0.600 0.600 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.13483E-01 ppm1 1.440 ppm2 3.906 CV 1
ASSI { 1441}
(( segid "PAH2" and resid 351 and name HD1 ))
( segid "PAH2" and resid 342 and name HB% )
2.500 0.800 0.800 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.41110E-02 ppm1 1.439 ppm2 3.754 CV 1
ASSI { 1443}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 360 and name HB% )
4.700 2.800 1.300 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.28083E-03 ppm1 1.556 ppm2 -0.917 CV 1
ASSI { 1444}
( segid "PAH2" and resid 324 and name HG2%)
( segid "PAH2" and resid 327 and name HB% )
4.000 2.000 2.000 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.66827E-03 ppm1 1.530 ppm2 0.021 CV 1
ASSI { 1445}
( segid "PAH2" and resid 365 and name HD1%)
( segid "PAH2" and resid 327 and name HB% )
2.400 0.700 0.700 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.79006E-02 ppm1 1.529 ppm2 0.787 CV 1
ASSI { 1446}
(( segid "PAH2" and resid 324 and name HA ))
( segid "PAH2" and resid 327 and name HB% )
2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.38572E-02 ppm1 1.530 ppm2 3.719 CV 1
ASSI { 1448}
(( segid "PAH2" and resid 360 and name HA ))
( segid "PAH2" and resid 360 and name HB% )
2.200 0.600 0.600 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.14684E-01 ppm1 1.558 ppm2 4.031 CV 1
ASSI { 1449}
(( segid "PAH2" and resid 357 and name HA ))
( segid "PAH2" and resid 360 and name HB% )
2.500 0.800 0.800 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.64791E-02 ppm1 1.558 ppm2 4.241 CV 1
ASSI { 1450}
(( segid "PAH2" and resid 359 and name HB1 ))
( segid "PAH2" and resid 360 and name HB% )
4.000 2.000 2.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.68515E-03 ppm1 1.552 ppm2 3.238 CV 1
ASSI { 1451}
(( segid "PAH2" and resid 361 and name HG1 ))
( segid "PAH2" and resid 360 and name HB% )
3.700 1.700 1.700 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.12418E-02 ppm1 1.556 ppm2 2.714 CV 1
ASSI { 1452}
(( segid "PAH2" and resid 356 and name HG1 ))
( segid "PAH2" and resid 360 and name HB% )
3.600 1.600 1.600 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.93891E-03 ppm1 1.554 ppm2 2.521 CV 1
ASSI { 1456}
(( segid "PAH2" and resid 379 and name HZ ))
( segid "PAH2" and resid 307 and name HB% )
3.600 1.600 1.600 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.27744E-03 ppm1 1.393 ppm2 6.270 CV 1
ASSI { 1457}
(( segid "PAH2" and resid 304 and name HB1 ))
( segid "PAH2" and resid 307 and name HB% )
4.900 3.000 1.100 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.38403E-03 ppm1 1.397 ppm2 3.200 CV 1
ASSI { 1463}
(( segid "PAH2" and resid 353 and name HA ))
( segid "PAH2" and resid 352 and name HB% )
4.300 2.300 1.700 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.37895E-03 ppm1 1.374 ppm2 4.679 CV 1
ASSI { 1467}
(( segid "PAH2" and resid 349 and name HB1 ))
( segid "PAH2" and resid 345 and name HB% )
2.800 1.000 1.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.28929E-02 ppm1 1.438 ppm2 2.965 CV 1
ASSI { 1468}
(( segid "PAH2" and resid 349 and name HB2 ))
( segid "PAH2" and resid 345 and name HB% )
2.900 1.000 1.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.28083E-02 ppm1 1.438 ppm2 2.775 CV 1
ASSI { 1472}
( segid "PAH2" and resid 349 and name HD% )
( segid "PAH2" and resid 345 and name HB% )
3.000 1.100 1.100 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.86616E-03 ppm1 1.438 ppm2 -1.070 CV 1
ASSI { 1474}
(( segid "PAH2" and resid 338 and name HG1 ))
( segid "PAH2" and resid 352 and name HB% )
3.000 1.100 1.100 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.30113E-02 ppm1 1.379 ppm2 2.421 CV 1
OR { 1474}
(( segid "PAH2" and resid 338 and name HG2 ))
( segid "PAH2" and resid 352 and name HB% )
ASSI { 1475}
(( segid "PAH2" and resid 338 and name HB1 ))
( segid "PAH2" and resid 352 and name HB% )
3.200 1.300 1.300 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.28760E-02 ppm1 1.379 ppm2 2.171 CV 1
OR { 1475}
(( segid "PAH2" and resid 338 and name HB2 ))
( segid "PAH2" and resid 352 and name HB% )
ASSI { 1504}
(( segid "PAH2" and resid 320 and name HA2 ))
(( segid "PAH2" and resid 320 and name HA1 ))
1.900 0.400 0.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.13416E-01 ppm1 4.238 ppm2 3.843 CV 1
ASSI { 1513}
(( segid "PAH2" and resid 304 and name HA ))
(( segid "PAH2" and resid 304 and name HB2 ))
3.000 1.100 1.100 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 3.184 ppm2 4.357 CV 1
OR { 1513}
(( segid "PAH2" and resid 304 and name HA ))
(( segid "PAH2" and resid 304 and name HB1 ))
ASSI { 1557}
(( segid "PAH2" and resid 349 and name HA ))
( segid "PAH2" and resid 345 and name HB% )
4.200 2.300 1.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.88310E-03 ppm1 1.440 ppm2 4.513 CV 1
ASSI { 1568}
(( segid "PAH2" and resid 317 and name HB1 ))
(( segid "PAH2" and resid 314 and name HA ))
4.100 2.100 1.900 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.29267E-03 ppm1 3.174 ppm2 1.677 CV 1
ASSI { 1570}
(( segid "PAH2" and resid 320 and name HA1 ))
(( segid "PAH2" and resid 319 and name HG2 ))
3.700 1.700 1.700 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.59211E-03 ppm1 2.450 ppm2 4.246 CV 1
ASSI { 1576}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 337 and name HD2 ))
5.400 3.600 0.600 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.26899E-03 ppm1 1.566 ppm2 3.899 CV 1
OR { 1576}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 337 and name HD1 ))
ASSI { 1577}
(( segid "PAH2" and resid 293 and name HB1 ))
(( segid "PAH2" and resid 293 and name HA ))
2.500 0.800 0.800 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.65809E-02 ppm1 4.640 ppm2 2.803 CV 1
ASSI { 1584}
(( segid "PAH2" and resid 344 and name HG1 ))
(( segid "PAH2" and resid 344 and name HG2 ))
1.400 0.300 0.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.67839E-01 ppm1 2.276 ppm2 2.389 CV 1
ASSI { 1588}
( segid "PAH2" and resid 304 and name HD% )
(( segid "PAH2" and resid 304 and name HB1 ))
2.900 1.000 1.000 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.19117E-02 ppm1 3.204 ppm2 -0.787 CV 1
ASSI { 1589}
(( segid "PAH2" and resid 305 and name HA ))
(( segid "PAH2" and resid 305 and name HB2 ))
2.300 0.700 0.700 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.99477E-02 ppm1 2.844 ppm2 4.396 CV 1
ASSI { 1590}
(( segid "PAH2" and resid 305 and name HA ))
(( segid "PAH2" and resid 305 and name HB1 ))
2.400 0.700 0.700 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.10286E-01 ppm1 2.941 ppm2 4.405 CV 1
ASSI { 1594}
(( segid "PAH2" and resid 313 and name HD1 ))
(( segid "PAH2" and resid 313 and name HA ))
3.400 1.400 1.400 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.48046E-02 ppm1 3.983 ppm2 1.696 CV 1
OR { 1594}
(( segid "PAH2" and resid 313 and name HD2 ))
(( segid "PAH2" and resid 313 and name HA ))
ASSI { 1596}
( segid "PAH2" and resid 372 and name HD1%)
(( segid "PAH2" and resid 313 and name HB1 ))
3.400 1.400 1.400 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.37557E-03 ppm1 1.972 ppm2 0.541 CV 1
ASSI { 1599}
( segid "PAH2" and resid 325 and name HD% )
( segid "PAH2" and resid 314 and name HD1%)
3.500 1.600 1.600 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.20978E-02 ppm1 -0.015 ppm2 -0.970 CV 1
ASSI { 1602}
(( segid "PAH2" and resid 315 and name HA ))
(( segid "PAH2" and resid 315 and name HG2 ))
3.300 1.400 1.400 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.10709E-02 ppm1 0.747 ppm2 3.076 CV 1
ASSI { 1604}
(( segid "PAH2" and resid 315 and name HD2 ))
(( segid "PAH2" and resid 315 and name HG2 ))
2.300 0.700 0.700 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.91861E-02 ppm1 0.768 ppm2 1.479 CV 1
OR { 1604}
(( segid "PAH2" and resid 315 and name HD1 ))
(( segid "PAH2" and resid 315 and name HG1 ))
OR { 1604}
(( segid "PAH2" and resid 315 and name HD2 ))
(( segid "PAH2" and resid 315 and name HG1 ))
OR { 1604}
(( segid "PAH2" and resid 315 and name HD1 ))
(( segid "PAH2" and resid 315 and name HG2 ))
ASSI { 1605}
(( segid "PAH2" and resid 317 and name HD1 ))
(( segid "PAH2" and resid 317 and name HA ))
3.100 1.200 1.200 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.30959E-02 ppm1 3.857 ppm2 3.103 CV 1
ASSI { 1608}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 341 and name HB2 ))
4.300 2.300 1.700 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.94567E-04 ppm1 2.401 ppm2 -1.194 CV 1
ASSI { 1609}
(( segid "PAH2" and resid 324 and name HG11))
(( segid "PAH2" and resid 321 and name HB1 ))
3.900 1.900 1.900 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.37219E-03 ppm1 2.369 ppm2 1.536 CV 1
OR { 1609}
(( segid "PAH2" and resid 324 and name HB ))
(( segid "PAH2" and resid 321 and name HB1 ))
ASSI { 1610}
(( segid "PAH2" and resid 324 and name HG11))
(( segid "PAH2" and resid 321 and name HB2 ))
4.200 2.200 1.800 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.25545E-03 ppm1 2.203 ppm2 1.530 CV 1
OR { 1610}
(( segid "PAH2" and resid 324 and name HB ))
(( segid "PAH2" and resid 321 and name HB2 ))
ASSI { 1611}
(( segid "PAH2" and resid 324 and name HG11))
(( segid "PAH2" and resid 321 and name HG2 ))
3.800 1.800 1.800 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.18440E-03 ppm1 2.386 ppm2 1.520 CV 1
OR { 1611}
(( segid "PAH2" and resid 324 and name HB ))
(( segid "PAH2" and resid 321 and name HG2 ))
ASSI { 1615}
(( segid "PAH2" and resid 329 and name HG ))
(( segid "PAH2" and resid 329 and name HB1 ))
3.100 1.200 1.200 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.12807E-02 ppm1 1.788 ppm2 1.423 CV 1
ASSI { 1616}
(( segid "PAH2" and resid 331 and name HA ))
(( segid "PAH2" and resid 331 and name HB ))
3.800 1.800 1.800 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.56166E-03 ppm1 1.794 ppm2 3.731 CV 1
ASSI { 1617}
(( segid "PAH2" and resid 337 and name HB1 ))
(( segid "PAH2" and resid 334 and name HA ))
3.300 1.400 1.400 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.10438E-02 ppm1 3.770 ppm2 1.860 CV 1
OR { 1617}
(( segid "PAH2" and resid 337 and name HB2 ))
(( segid "PAH2" and resid 334 and name HA ))
ASSI { 1632}
(( segid "PAH2" and resid 332 and name HB1 ))
(( segid "PAH2" and resid 332 and name HA ))
2.800 1.000 1.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.34173E-02 ppm1 3.890 ppm2 1.827 CV 1
ASSI { 1633}
(( segid "PAH2" and resid 339 and name HA ))
(( segid "PAH2" and resid 339 and name HG1 ))
3.100 1.200 1.200 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.15260E-02 ppm1 2.025 ppm2 3.888 CV 1
ASSI { 1634}
(( segid "PAH2" and resid 339 and name HA ))
(( segid "PAH2" and resid 339 and name HG2 ))
3.600 1.600 1.600 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.13483E-02 ppm1 1.969 ppm2 3.882 CV 1
ASSI { 1635}
(( segid "PAH2" and resid 337 and name HG1 ))
(( segid "PAH2" and resid 337 and name HE2 ))
3.600 1.600 1.600 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.83909E-03 ppm1 2.783 ppm2 1.458 CV 1
ASSI { 1636}
(( segid "PAH2" and resid 337 and name HG2 ))
(( segid "PAH2" and resid 337 and name HE2 ))
4.600 2.600 1.400 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.30283E-03 ppm1 2.785 ppm2 1.355 CV 1
ASSI { 1639}
(( segid "PAH2" and resid 330 and name HG1 ))
(( segid "PAH2" and resid 330 and name HA ))
2.300 0.600 0.600 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.13855E-01 ppm1 4.110 ppm2 2.275 CV 1
OR { 1639}
(( segid "PAH2" and resid 330 and name HG2 ))
(( segid "PAH2" and resid 330 and name HA ))
ASSI { 1640}
(( segid "PAH2" and resid 336 and name HA ))
(( segid "PAH2" and resid 339 and name HG1 ))
4.100 2.100 1.900 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 2.025 ppm2 3.963 CV 1
ASSI { 1642}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 340 and name HB1 ))
2.400 0.700 0.700 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.66653E-02 ppm1 1.893 ppm2 4.058 CV 1
OR { 1642}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 340 and name HB2 ))
ASSI { 1643}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 340 and name HB1 ))
2.800 0.900 0.900 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.55490E-02 ppm1 1.924 ppm2 4.058 CV 1
ASSI { 1645}
(( segid "PAH2" and resid 340 and name HD2 ))
(( segid "PAH2" and resid 340 and name HB1 ))
3.100 1.200 1.200 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 1.928 ppm2 3.167 CV 1
OR { 1645}
(( segid "PAH2" and resid 340 and name HD1 ))
(( segid "PAH2" and resid 340 and name HB1 ))
ASSI { 1647}
(( segid "PAH2" and resid 340 and name HG2 ))
(( segid "PAH2" and resid 340 and name HB1 ))
2.400 0.700 0.700 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.51768E-02 ppm1 1.939 ppm2 1.607 CV 1
ASSI { 1648}
(( segid "PAH2" and resid 340 and name HG1 ))
(( segid "PAH2" and resid 340 and name HB1 ))
2.400 0.700 0.700 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.10320E-01 ppm1 1.937 ppm2 1.734 CV 1
ASSI { 1658}
(( segid "PAH2" and resid 351 and name HD1 ))
(( segid "PAH2" and resid 351 and name HA ))
4.200 2.200 1.800 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.40771E-03 ppm1 4.347 ppm2 3.708 CV 1
OR { 1658}
(( segid "PAH2" and resid 351 and name HD2 ))
(( segid "PAH2" and resid 351 and name HA ))
ASSI { 1659}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 355 and name HG1 ))
3.700 1.700 1.700 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.38233E-03 ppm1 2.281 ppm2 0.489 CV 1
OR { 1659}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 355 and name HG1 ))
ASSI { 1661}
(( segid "PAH2" and resid 356 and name HA ))
(( segid "PAH2" and resid 356 and name HG2 ))
3.600 1.600 1.600 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.13229E-02 ppm1 2.465 ppm2 4.090 CV 1
ASSI { 1662}
(( segid "PAH2" and resid 336 and name HA ))
(( segid "PAH2" and resid 339 and name HB2 ))
3.400 1.400 1.400 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.19455E-02 ppm1 1.961 ppm2 3.962 CV 1
ASSI { 1663}
( segid "PAH2" and resid 324 and name HG2%)
(( segid "PAH2" and resid 365 and name HG ))
3.800 1.800 1.800 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.58875E-03 ppm1 1.627 ppm2 0.021 CV 1
ASSI { 1664}
( segid "PAH2" and resid 365 and name HD2%)
(( segid "PAH2" and resid 365 and name HG ))
2.700 0.900 0.900 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.30113E-02 ppm1 1.625 ppm2 0.757 CV 1
ASSI { 1667}
(( segid "PAH2" and resid 318 and name HZ ))
(( segid "PAH2" and resid 366 and name HA ))
3.500 1.500 1.500 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.10167E-02 ppm1 4.991 ppm2 -1.140 CV 1
ASSI { 1669}
(( segid "PAH2" and resid 368 and name HB2 ))
(( segid "PAH2" and resid 368 and name HA ))
3.800 1.800 1.800 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.70378E-03 ppm1 4.829 ppm2 2.994 CV 1
ASSI { 1671}
(( segid "PAH2" and resid 369 and name HG2 ))
(( segid "PAH2" and resid 369 and name HA ))
4.000 2.000 2.000 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.39079E-03 ppm1 4.828 ppm2 2.293 CV 1
ASSI { 1679}
(( segid "PAH2" and resid 369 and name HG1 ))
(( segid "PAH2" and resid 369 and name HG2 ))
1.700 0.400 0.500 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.18102E-01 ppm1 2.281 ppm2 2.446 CV 1
ASSI { 1680}
( segid "PAH2" and resid 372 and name HD2%)
(( segid "PAH2" and resid 372 and name HB1 ))
3.100 1.200 1.200 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.13957E-02 ppm1 1.630 ppm2 0.243 CV 1
ASSI { 1681}
( segid "PAH2" and resid 372 and name HD1%)
(( segid "PAH2" and resid 372 and name HB1 ))
3.800 1.800 1.800 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.12570E-02 ppm1 1.641 ppm2 0.531 CV 1
ASSI { 1685}
(( segid "PAH2" and resid 373 and name HG ))
(( segid "PAH2" and resid 373 and name HB2 ))
2.500 0.800 0.800 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.57181E-02 ppm1 1.727 ppm2 1.876 CV 1
ASSI { 1686}
(( segid "PAH2" and resid 371 and name HA ))
(( segid "PAH2" and resid 374 and name HB2 ))
2.300 0.600 0.600 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.12570E-01 ppm1 4.085 ppm2 4.391 CV 1
OR { 1686}
(( segid "PAH2" and resid 371 and name HA ))
(( segid "PAH2" and resid 374 and name HB1 ))
ASSI { 1687}
(( segid "PAH2" and resid 376 and name HB1 ))
(( segid "PAH2" and resid 376 and name HB2 ))
1.900 0.400 0.400 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.73084E-02 ppm1 3.420 ppm2 4.104 CV 1
ASSI { 1690}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 380 and name HB2 ))
3.400 1.400 1.400 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.11606E-02 ppm1 0.994 ppm2 0.490 CV 1
OR { 1690}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 380 and name HB2 ))
ASSI { 1691}
(( segid "PAH2" and resid 375 and name HA ))
(( segid "PAH2" and resid 375 and name HB1 ))
2.300 0.700 0.700 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.94400E-02 ppm1 2.179 ppm2 4.109 CV 1
ASSI { 1693}
( segid "PAH2" and resid 332 and name HD1%)
(( segid "PAH2" and resid 332 and name HB2 ))
3.600 1.600 1.600 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.48215E-03 ppm1 1.262 ppm2 0.526 CV 1
ASSI { 1694}
(( segid "PAH2" and resid 353 and name HB1 ))
(( segid "PAH2" and resid 335 and name HA ))
4.100 2.100 1.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.37388E-03 ppm1 4.034 ppm2 1.682 CV 1
OR { 1694}
(( segid "PAH2" and resid 353 and name HG ))
(( segid "PAH2" and resid 335 and name HA ))
ASSI { 1696}
(( segid "PAH2" and resid 344 and name HA ))
(( segid "PAH2" and resid 344 and name HG1 ))
2.800 1.000 1.000 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.35019E-02 ppm1 2.359 ppm2 4.132 CV 1
ASSI { 1698}
(( segid "PAH2" and resid 336 and name HB2 ))
(( segid "PAH2" and resid 336 and name HB1 ))
1.900 0.400 0.400 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.99812E-02 ppm1 2.471 ppm2 2.260 CV 1
ASSI { 1700}
(( segid "PAH2" and resid 303 and name HG1 ))
(( segid "PAH2" and resid 379 and name HA ))
3.400 3.400 2.600 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.12840E-02 ppm1 4.321 ppm2 2.363 CV 1
OR { 1700}
(( segid "PAH2" and resid 303 and name HG2 ))
(( segid "PAH2" and resid 379 and name HA ))
ASSI { 1702}
(( segid "PAH2" and resid 336 and name HB1 ))
(( segid "PAH2" and resid 336 and name HA ))
3.000 1.200 1.200 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.25545E-02 ppm1 3.970 ppm2 2.494 CV 1
ASSI { 1703}
(( segid "PAH2" and resid 378 and name HA ))
(( segid "PAH2" and resid 378 and name HB1 ))
2.700 0.900 0.900 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.29775E-02 ppm1 1.784 ppm2 3.999 CV 1
ASSI { 1704}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 375 and name HB1 ))
4.700 2.700 1.300 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.24700E-03 ppm1 2.177 ppm2 -1.045 CV 1
ASSI { 1709}
(( segid "PAH2" and resid 351 and name HA ))
(( segid "PAH2" and resid 351 and name HG1 ))
3.800 1.800 1.800 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.76299E-03 ppm1 2.068 ppm2 4.356 CV 1
ASSI { 1710}
(( segid "PAH2" and resid 341 and name HA ))
(( segid "PAH2" and resid 344 and name HB1 ))
2.700 0.900 0.900 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.29944E-02 ppm1 2.080 ppm2 4.321 CV 1
ASSI { 1713}
(( segid "PAH2" and resid 338 and name HA ))
(( segid "PAH2" and resid 341 and name HB2 ))
3.600 1.600 1.600 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.68348E-03 ppm1 2.412 ppm2 4.133 CV 1
ASSI { 1717}
(( segid "PAH2" and resid 367 and name HG2 ))
(( segid "PAH2" and resid 367 and name HB1 ))
2.500 0.800 0.800 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.54813E-02 ppm1 2.043 ppm2 1.487 CV 1
OR { 1717}
(( segid "PAH2" and resid 367 and name HG1 ))
(( segid "PAH2" and resid 367 and name HB1 ))
ASSI { 1719}
(( segid "PAH2" and resid 367 and name HB2 ))
(( segid "PAH2" and resid 367 and name HB1 ))
1.400 0.300 0.800 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.48554E-01 ppm1 2.036 ppm2 1.903 CV 1
ASSI { 1722}
(( segid "PAH2" and resid 369 and name HB2 ))
(( segid "PAH2" and resid 369 and name HG1 ))
3.200 1.300 1.300 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.12976E-02 ppm1 2.446 ppm2 1.812 CV 1
ASSI { 1723}
(( segid "PAH2" and resid 369 and name HB1 ))
(( segid "PAH2" and resid 369 and name HG1 ))
2.900 1.100 1.100 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.25376E-02 ppm1 2.453 ppm2 1.899 CV 1
ASSI { 1724}
(( segid "PAH2" and resid 369 and name HB2 ))
(( segid "PAH2" and resid 369 and name HG2 ))
3.100 1.200 1.200 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.19286E-02 ppm1 2.275 ppm2 1.807 CV 1
ASSI { 1727}
(( segid "PAH2" and resid 372 and name HA ))
(( segid "PAH2" and resid 372 and name HG ))
3.500 1.600 1.600 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.88310E-03 ppm1 1.579 ppm2 4.406 CV 1
ASSI { 1728}
(( segid "PAH2" and resid 337 and name HE2 ))
( segid "PAH2" and resid 334 and name HG2%)
4.700 2.700 1.300 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.18779E-03 ppm1 1.269 ppm2 2.790 CV 1
ASSI { 1729}
(( segid "PAH2" and resid 337 and name HE1 ))
( segid "PAH2" and resid 334 and name HG2%)
4.300 2.400 1.700 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.25884E-03 ppm1 1.269 ppm2 2.865 CV 1
ASSI { 3}
(( segid "PF1 " and resid 220 and name HB1 ))
(( segid "PF1 " and resid 220 and name HB2 ))
1.800 0.400 0.400 peak 3 spectrum 1 weight 0.10000E+01 volume 0.16555E-01 ppm1 1.806 ppm2 1.975 CV 1
ASSI { 4}
(( segid "PF1 " and resid 231 and name HA ))
(( segid "PF1 " and resid 231 and name HB2 ))
3.000 1.100 1.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.17695E-02 ppm1 1.610 ppm2 4.387 CV 1
ASSI { 10}
(( segid "PF1 " and resid 212 and name HG ))
( segid "PF1 " and resid 212 and name HD1%)
2.400 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.42877E-02 ppm1 0.949 ppm2 1.784 CV 1
ASSI { 20}
( segid "PF1 " and resid 210 and name HD% )
(( segid "PF1 " and resid 210 and name HA ))
3.400 1.400 1.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.65676E-03 ppm1 4.439 ppm2 -0.943 CV 1
ASSI { 29}
(( segid "PF1 " and resid 230 and name HG2 ))
( segid "PF1 " and resid 231 and name HD2%)
3.000 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.17695E-02 ppm1 0.862 ppm2 2.266 CV 1
OR { 29}
(( segid "PF1 " and resid 230 and name HG1 ))
( segid "PF1 " and resid 231 and name HD2%)
ASSI { 30}
(( segid "PF1 " and resid 212 and name HG ))
( segid "PF1 " and resid 212 and name HD2%)
2.300 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.63294E-02 ppm1 0.865 ppm2 1.770 CV 1
ASSI { 50}
(( segid "PF1 " and resid 218 and name HA ))
(( segid "PF1 " and resid 223 and name HB ))
2.100 0.500 0.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.10311E-01 ppm1 4.203 ppm2 4.089 CV 1
ASSI { 54}
(( segid "PF1 " and resid 204 and name HB2 ))
(( segid "PF1 " and resid 204 and name HB1 ))
1.500 0.300 0.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.46620E-01 ppm1 2.296 ppm2 1.903 CV 1
ASSI { 82}
(( segid "PF1 " and resid 212 and name HB2 ))
( segid "PF1 " and resid 212 and name HD2%)
2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.45429E-02 ppm1 0.860 ppm2 1.441 CV 1
ASSI { 85}
(( segid "PF1 " and resid 198 and name HB1 ))
(( segid "PF1 " and resid 198 and name HA ))
2.900 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.20418E-02 ppm1 4.718 ppm2 2.845 CV 1
ASSI { 87}
(( segid "PF1 " and resid 198 and name HA ))
(( segid "PF1 " and resid 198 and name HB2 ))
3.600 1.600 1.600 peak 87 spectrum 1 weight 0.10000E+01 volume 0.52235E-03 ppm1 2.794 ppm2 4.712 CV 1
ASSI { 88}
(( segid "PF1 " and resid 200 and name HB2 ))
(( segid "PF1 " and resid 200 and name HA ))
2.800 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.21268E-02 ppm1 4.511 ppm2 2.566 CV 1
OR { 88}
(( segid "PF1 " and resid 200 and name HB1 ))
(( segid "PF1 " and resid 200 and name HA ))
ASSI { 89}
(( segid "PF1 " and resid 200 and name HA ))
(( segid "PF1 " and resid 200 and name HB1 ))
3.200 1.300 1.300 peak 89 spectrum 1 weight 0.10000E+01 volume 0.10277E-02 ppm1 2.600 ppm2 4.511 CV 1
ASSI { 91}
( segid "PF1 " and resid 201 and name HD% )
(( segid "PF1 " and resid 201 and name HA ))
3.300 1.400 1.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.83881E-03 ppm1 4.521 ppm2 -0.917 CV 1
ASSI { 92}
(( segid "PF1 " and resid 201 and name HB2 ))
(( segid "PF1 " and resid 201 and name HA ))
2.600 0.900 0.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.31307E-02 ppm1 4.523 ppm2 2.986 CV 1
OR { 92}
(( segid "PF1 " and resid 201 and name HB1 ))
(( segid "PF1 " and resid 201 and name HA ))
ASSI { 94}
( segid "PF1 " and resid 201 and name HD% )
(( segid "PF1 " and resid 201 and name HB1 ))
2.700 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.25862E-02 ppm1 2.986 ppm2 -0.915 CV 1
OR { 94}
( segid "PF1 " and resid 201 and name HD% )
(( segid "PF1 " and resid 201 and name HB2 ))
ASSI { 96}
( segid "PF1 " and resid 202 and name HG2%)
(( segid "PF1 " and resid 202 and name HA ))
2.700 0.900 0.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.31647E-02 ppm1 3.980 ppm2 0.853 CV 1
OR { 96}
( segid "PF1 " and resid 202 and name HG1%)
(( segid "PF1 " and resid 202 and name HA ))
ASSI { 97}
(( segid "PF1 " and resid 202 and name HA ))
(( segid "PF1 " and resid 202 and name HB ))
2.900 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 1.909 ppm2 3.984 CV 1
ASSI { 98}
( segid "PF1 " and resid 202 and name HG1%)
(( segid "PF1 " and resid 202 and name HB ))
2.600 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.30626E-02 ppm1 1.922 ppm2 0.853 CV 1
OR { 98}
( segid "PF1 " and resid 202 and name HG2%)
(( segid "PF1 " and resid 202 and name HB ))
ASSI { 101}
(( segid "PF1 " and resid 202 and name HA ))
( segid "PF1 " and resid 202 and name HG2%)
3.000 1.100 1.100 peak 101 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 0.842 ppm2 3.982 CV 1
ASSI { 102}
(( segid "PF1 " and resid 202 and name HB ))
( segid "PF1 " and resid 202 and name HG2%)
2.800 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.20418E-02 ppm1 0.830 ppm2 1.901 CV 1
ASSI { 103}
(( segid "PF1 " and resid 203 and name HB1 ))
(( segid "PF1 " and resid 203 and name HA ))
2.800 1.000 1.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.20248E-02 ppm1 4.456 ppm2 2.090 CV 1
ASSI { 104}
(( segid "PF1 " and resid 203 and name HB2 ))
(( segid "PF1 " and resid 203 and name HA ))
2.900 1.000 1.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.15347E-02 ppm1 4.459 ppm2 1.952 CV 1
ASSI { 106}
(( segid "PF1 " and resid 204 and name HD1 ))
(( segid "PF1 " and resid 203 and name HA ))
2.400 0.700 0.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.45429E-02 ppm1 4.458 ppm2 3.856 CV 1
ASSI { 114}
(( segid "PF1 " and resid 203 and name HA ))
(( segid "PF1 " and resid 203 and name HG1 ))
3.100 1.200 1.200 peak 114 spectrum 1 weight 0.10000E+01 volume 0.11008E-02 ppm1 2.410 ppm2 4.458 CV 1
OR { 114}
(( segid "PF1 " and resid 203 and name HA ))
(( segid "PF1 " and resid 203 and name HG2 ))
ASSI { 129}
(( segid "PF1 " and resid 204 and name HD2 ))
(( segid "PF1 " and resid 204 and name HB2 ))
3.800 1.800 1.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.46450E-03 ppm1 1.882 ppm2 3.699 CV 1
ASSI { 134}
(( segid "PF1 " and resid 203 and name HA ))
(( segid "PF1 " and resid 204 and name HD2 ))
2.100 0.500 0.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.10566E-01 ppm1 3.698 ppm2 4.459 CV 1
ASSI { 136}
(( segid "PF1 " and resid 204 and name HD1 ))
(( segid "PF1 " and resid 204 and name HD2 ))
1.700 0.300 0.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.24671E-01 ppm1 3.704 ppm2 3.856 CV 1
ASSI { 142}
(( segid "PF1 " and resid 205 and name HB1 ))
(( segid "PF1 " and resid 205 and name HA ))
2.300 0.600 0.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.75374E-02 ppm1 4.289 ppm2 2.064 CV 1
ASSI { 154}
(( segid "PF1 " and resid 206 and name HB2 ))
(( segid "PF1 " and resid 206 and name HA ))
2.400 0.700 0.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.46280E-02 ppm1 4.347 ppm2 1.559 CV 1
ASSI { 155}
( segid "PF1 " and resid 206 and name HD2%)
(( segid "PF1 " and resid 206 and name HA ))
2.800 1.000 1.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.47300E-02 ppm1 4.346 ppm2 0.864 CV 1
ASSI { 159}
( segid "PF1 " and resid 206 and name HD1%)
(( segid "PF1 " and resid 206 and name HB2 ))
2.200 0.600 0.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.71459E-02 ppm1 1.556 ppm2 0.917 CV 1
ASSI { 160}
(( segid "PF1 " and resid 207 and name HA ))
(( segid "PF1 " and resid 206 and name HG ))
2.900 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.15875E-02 ppm1 1.690 ppm2 4.500 CV 1
ASSI { 165}
(( segid "PF1 " and resid 206 and name HA ))
(( segid "PF1 " and resid 207 and name HA ))
1.900 1.900 4.100 peak 165 spectrum 1 weight 0.10000E+01 volume 0.27053E-01 ppm1 4.490 ppm2 4.345 CV 1
ASSI { 166}
(( segid "PF1 " and resid 207 and name HG1 ))
(( segid "PF1 " and resid 207 and name HA ))
2.800 0.900 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.25862E-02 ppm1 4.490 ppm2 1.676 CV 1
OR { 166}
(( segid "PF1 " and resid 207 and name HG2 ))
(( segid "PF1 " and resid 207 and name HA ))
ASSI { 167}
(( segid "PF1 " and resid 207 and name HB2 ))
(( segid "PF1 " and resid 207 and name HA ))
2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.32498E-02 ppm1 4.496 ppm2 1.774 CV 1
ASSI { 168}
(( segid "PF1 " and resid 207 and name HA ))
(( segid "PF1 " and resid 207 and name HB1 ))
3.400 1.500 1.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.60061E-03 ppm1 1.834 ppm2 4.491 CV 1
ASSI { 170}
(( segid "PF1 " and resid 207 and name HG1 ))
(( segid "PF1 " and resid 207 and name HD1 ))
2.400 0.700 0.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.56148E-02 ppm1 3.173 ppm2 1.678 CV 1
OR { 170}
(( segid "PF1 " and resid 207 and name HG2 ))
(( segid "PF1 " and resid 207 and name HD1 ))
ASSI { 171}
(( segid "PF1 " and resid 207 and name HB1 ))
(( segid "PF1 " and resid 207 and name HD1 ))
2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.44068E-02 ppm1 3.175 ppm2 1.824 CV 1
ASSI { 172}
(( segid "PF1 " and resid 207 and name HA ))
(( segid "PF1 " and resid 207 and name HD1 ))
3.800 1.800 1.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.50363E-03 ppm1 3.171 ppm2 4.504 CV 1
ASSI { 173}
(( segid "PF1 " and resid 207 and name HG2 ))
(( segid "PF1 " and resid 207 and name HD2 ))
2.600 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.29945E-02 ppm1 3.097 ppm2 1.678 CV 1
OR { 173}
(( segid "PF1 " and resid 207 and name HG1 ))
(( segid "PF1 " and resid 207 and name HD2 ))
ASSI { 174}
(( segid "PF1 " and resid 207 and name HB2 ))
(( segid "PF1 " and resid 207 and name HD2 ))
3.100 1.200 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.12234E-02 ppm1 3.097 ppm2 1.817 CV 1
OR { 174}
(( segid "PF1 " and resid 207 and name HB1 ))
(( segid "PF1 " and resid 207 and name HD2 ))
ASSI { 175}
(( segid "PF1 " and resid 208 and name HB2 ))
(( segid "PF1 " and resid 208 and name HA ))
2.900 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.15620E-02 ppm1 4.645 ppm2 1.858 CV 1
OR { 175}
(( segid "PF1 " and resid 208 and name HB1 ))
(( segid "PF1 " and resid 208 and name HA ))
OR { 175}
(( segid "PF1 " and resid 208 and name HG2 ))
(( segid "PF1 " and resid 208 and name HA ))
ASSI { 176}
(( segid "PF1 " and resid 209 and name HD1 ))
(( segid "PF1 " and resid 208 and name HA ))
2.700 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.21098E-02 ppm1 4.637 ppm2 3.998 CV 1
ASSI { 178}
(( segid "PF1 " and resid 209 and name HD2 ))
(( segid "PF1 " and resid 208 and name HA ))
2.900 1.000 1.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.15925E-02 ppm1 4.644 ppm2 3.903 CV 1
ASSI { 179}
(( segid "PF1 " and resid 211 and name HB2 ))
(( segid "PF1 " and resid 208 and name HD2 ))
2.900 1.100 1.100 peak 179 spectrum 1 weight 0.10000E+01 volume 0.16844E-02 ppm1 3.337 ppm2 2.148 CV 1
OR { 179}
(( segid "PF1 " and resid 211 and name HB2 ))
(( segid "PF1 " and resid 208 and name HD1 ))
OR { 179}
(( segid "PF1 " and resid 211 and name HB1 ))
(( segid "PF1 " and resid 208 and name HD2 ))
ASSI { 180}
(( segid "PF1 " and resid 208 and name HG1 ))
(( segid "PF1 " and resid 208 and name HD1 ))
2.300 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.61420E-02 ppm1 3.337 ppm2 1.862 CV 1
OR { 180}
(( segid "PF1 " and resid 208 and name HG2 ))
(( segid "PF1 " and resid 208 and name HD2 ))
OR { 180}
(( segid "PF1 " and resid 208 and name HG1 ))
(( segid "PF1 " and resid 208 and name HD2 ))
OR { 180}
(( segid "PF1 " and resid 208 and name HG2 ))
(( segid "PF1 " and resid 208 and name HD1 ))
OR { 180}
(( segid "PF1 " and resid 208 and name HB1 ))
(( segid "PF1 " and resid 208 and name HD2 ))
OR { 180}
(( segid "PF1 " and resid 208 and name HB1 ))
(( segid "PF1 " and resid 208 and name HD1 ))
ASSI { 181}
(( segid "PF1 " and resid 208 and name HA ))
(( segid "PF1 " and resid 208 and name HG1 ))
3.600 1.700 1.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.44238E-03 ppm1 1.849 ppm2 4.619 CV 1
OR { 181}
(( segid "PF1 " and resid 208 and name HA ))
(( segid "PF1 " and resid 208 and name HG2 ))
ASSI { 182}
(( segid "PF1 " and resid 208 and name HD1 ))
(( segid "PF1 " and resid 208 and name HG1 ))
2.900 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.15279E-02 ppm1 1.849 ppm2 3.336 CV 1
OR { 182}
(( segid "PF1 " and resid 208 and name HD2 ))
(( segid "PF1 " and resid 208 and name HG2 ))
OR { 182}
(( segid "PF1 " and resid 208 and name HD2 ))
(( segid "PF1 " and resid 208 and name HG1 ))
OR { 182}
(( segid "PF1 " and resid 208 and name HD1 ))
(( segid "PF1 " and resid 208 and name HG2 ))
ASSI { 184}
(( segid "PF1 " and resid 210 and name HB1 ))
(( segid "PF1 " and resid 210 and name HA ))
4.100 2.100 1.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.25352E-03 ppm1 4.432 ppm2 3.591 CV 1
ASSI { 185}
(( segid "PF1 " and resid 210 and name HB2 ))
(( segid "PF1 " and resid 210 and name HA ))
3.600 1.600 1.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.44408E-03 ppm1 4.434 ppm2 2.949 CV 1
ASSI { 187}
(( segid "PF1 " and resid 213 and name HB1 ))
(( segid "PF1 " and resid 210 and name HA ))
4.400 2.400 1.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.26373E-03 ppm1 4.431 ppm2 1.845 CV 1
ASSI { 188}
(( segid "PF1 " and resid 210 and name HB2 ))
(( segid "PF1 " and resid 210 and name HB1 ))
2.400 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.28414E-02 ppm1 3.586 ppm2 2.906 CV 1
ASSI { 190}
(( segid "PF1 " and resid 214 and name HB ))
(( segid "PF1 " and resid 211 and name HA ))
3.900 1.900 1.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.24671E-03 ppm1 3.864 ppm2 1.753 CV 1
ASSI { 191}
(( segid "PF1 " and resid 212 and name HA ))
(( segid "PF1 " and resid 211 and name HA ))
3.800 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.38113E-03 ppm1 3.864 ppm2 4.110 CV 1
ASSI { 192}
(( segid "PF1 " and resid 211 and name HB2 ))
(( segid "PF1 " and resid 211 and name HA ))
2.900 1.100 1.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.15602E-02 ppm1 3.867 ppm2 2.138 CV 1
OR { 192}
(( segid "PF1 " and resid 211 and name HB1 ))
(( segid "PF1 " and resid 211 and name HA ))
ASSI { 193}
(( segid "PF1 " and resid 211 and name HG2 ))
(( segid "PF1 " and resid 211 and name HA ))
2.700 0.900 0.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.27053E-02 ppm1 3.870 ppm2 2.395 CV 1
OR { 193}
(( segid "PF1 " and resid 211 and name HG1 ))
(( segid "PF1 " and resid 211 and name HA ))
ASSI { 194}
(( segid "PF1 " and resid 208 and name HB1 ))
(( segid "PF1 " and resid 211 and name HB2 ))
1.900 0.400 0.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.21779E-01 ppm1 2.160 ppm2 1.883 CV 1
OR { 194}
(( segid "PF1 " and resid 208 and name HB1 ))
(( segid "PF1 " and resid 211 and name HB1 ))
OR { 194}
(( segid "PF1 " and resid 208 and name HB2 ))
(( segid "PF1 " and resid 211 and name HB2 ))
OR { 194}
(( segid "PF1 " and resid 208 and name HB2 ))
(( segid "PF1 " and resid 211 and name HB1 ))
ASSI { 198}
(( segid "PF1 " and resid 211 and name HB1 ))
(( segid "PF1 " and resid 211 and name HG1 ))
2.200 0.600 0.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.78607E-02 ppm1 2.403 ppm2 2.141 CV 1
OR { 198}
(( segid "PF1 " and resid 211 and name HB2 ))
(( segid "PF1 " and resid 211 and name HG1 ))
OR { 198}
(( segid "PF1 " and resid 211 and name HB1 ))
(( segid "PF1 " and resid 211 and name HG2 ))
OR { 198}
(( segid "PF1 " and resid 211 and name HB2 ))
(( segid "PF1 " and resid 211 and name HG2 ))
ASSI { 205}
(( segid "PF1 " and resid 212 and name HB1 ))
( segid "PF1 " and resid 212 and name HD1%)
3.000 1.100 1.100 peak 205 spectrum 1 weight 0.10000E+01 volume 0.17865E-02 ppm1 0.942 ppm2 1.594 CV 1
ASSI { 206}
(( segid "PF1 " and resid 212 and name HB2 ))
( segid "PF1 " and resid 212 and name HD1%)
3.000 1.100 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.12149E-02 ppm1 0.946 ppm2 1.443 CV 1
ASSI { 212}
(( segid "PF1 " and resid 212 and name HA ))
( segid "PF1 " and resid 212 and name HD2%)
2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.37262E-02 ppm1 0.867 ppm2 4.146 CV 1
ASSI { 217}
(( segid "PF1 " and resid 213 and name HB2 ))
(( segid "PF1 " and resid 213 and name HA ))
3.200 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.83881E-03 ppm1 3.829 ppm2 1.055 CV 1
ASSI { 218}
(( segid "PF1 " and resid 213 and name HG ))
(( segid "PF1 " and resid 213 and name HA ))
3.300 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.14088E-02 ppm1 3.837 ppm2 1.363 CV 1
ASSI { 220}
(( segid "PF1 " and resid 213 and name HB2 ))
(( segid "PF1 " and resid 213 and name HB1 ))
2.800 1.000 1.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.10158E-02 ppm1 1.848 ppm2 1.085 CV 1
ASSI { 221}
( segid "PF1 " and resid 213 and name HD1%)
(( segid "PF1 " and resid 213 and name HG ))
3.100 1.200 1.200 peak 221 spectrum 1 weight 0.10000E+01 volume 0.10073E-02 ppm1 1.334 ppm2 0.762 CV 1
ASSI { 222}
(( segid "PF1 " and resid 213 and name HB1 ))
( segid "PF1 " and resid 213 and name HD1%)
3.700 1.800 1.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.31307E-03 ppm1 0.772 ppm2 1.875 CV 1
ASSI { 226}
( segid "PF1 " and resid 212 and name HD2%)
( segid "PF1 " and resid 213 and name HD2%)
2.200 2.200 3.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.84904E-02 ppm1 0.632 ppm2 0.892 CV 1
ASSI { 227}
(( segid "PF1 " and resid 213 and name HB2 ))
( segid "PF1 " and resid 213 and name HD2%)
2.700 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.22630E-02 ppm1 0.630 ppm2 1.073 CV 1
ASSI { 236}
(( segid "PF1 " and resid 213 and name HA ))
( segid "PF1 " and resid 213 and name HD2%)
3.000 1.100 1.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.11961E-02 ppm1 0.630 ppm2 3.834 CV 1
ASSI { 240}
(( segid "PF1 " and resid 214 and name HG11))
(( segid "PF1 " and resid 214 and name HB ))
3.200 1.300 1.300 peak 240 spectrum 1 weight 0.10000E+01 volume 0.61761E-03 ppm1 1.749 ppm2 1.304 CV 1
ASSI { 241}
(( segid "PF1 " and resid 214 and name HG12))
(( segid "PF1 " and resid 214 and name HB ))
4.300 2.400 1.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.20418E-03 ppm1 1.759 ppm2 0.673 CV 1
ASSI { 244}
(( segid "PF1 " and resid 214 and name HG12))
(( segid "PF1 " and resid 214 and name HG11))
2.400 0.700 0.700 peak 244 spectrum 1 weight 0.10000E+01 volume 0.21779E-02 ppm1 1.304 ppm2 0.666 CV 1
ASSI { 247}
(( segid "PF1 " and resid 210 and name HZ ))
( segid "PF1 " and resid 214 and name HD1%)
3.900 1.900 1.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.74692E-03 ppm1 0.580 ppm2 -1.271 CV 1
ASSI { 251}
(( segid "PF1 " and resid 214 and name HB ))
( segid "PF1 " and resid 214 and name HD1%)
2.800 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.20077E-02 ppm1 0.582 ppm2 1.752 CV 1
ASSI { 252}
(( segid "PF1 " and resid 214 and name HG11))
( segid "PF1 " and resid 214 and name HD1%)
2.400 0.700 0.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.36581E-02 ppm1 0.585 ppm2 1.291 CV 1
ASSI { 253}
( segid "PF1 " and resid 214 and name HG2%)
( segid "PF1 " and resid 214 and name HD1%)
2.000 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.14088E-01 ppm1 0.581 ppm2 0.807 CV 1
ASSI { 255}
(( segid "PF1 " and resid 215 and name HA ))
( segid "PF1 " and resid 214 and name HG2%)
3.500 1.500 1.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.58528E-03 ppm1 0.805 ppm2 4.006 CV 1
ASSI { 256}
(( segid "PF1 " and resid 214 and name HA ))
( segid "PF1 " and resid 214 and name HG2%)
4.200 2.200 1.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.17355E-03 ppm1 0.804 ppm2 3.883 CV 1
ASSI { 259}
(( segid "PF1 " and resid 214 and name HB ))
( segid "PF1 " and resid 214 and name HG2%)
2.500 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.34369E-02 ppm1 0.799 ppm2 1.754 CV 1
ASSI { 261}
( segid "PF1 " and resid 217 and name HB% )
( segid "PF1 " and resid 214 and name HG2%)
3.000 1.100 1.100 peak 261 spectrum 1 weight 0.10000E+01 volume 0.20418E-02 ppm1 0.795 ppm2 1.340 CV 1
ASSI { 262}
(( segid "PF1 " and resid 218 and name HG1 ))
( segid "PF1 " and resid 214 and name HG2%)
3.300 1.300 1.300 peak 262 spectrum 1 weight 0.10000E+01 volume 0.99367E-03 ppm1 0.793 ppm2 2.505 CV 1
OR { 262}
(( segid "PF1 " and resid 218 and name HG2 ))
( segid "PF1 " and resid 214 and name HG2%)
ASSI { 264}
(( segid "PF1 " and resid 212 and name HB2 ))
( segid "PF1 " and resid 215 and name HB% )
2.000 2.000 4.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.29605E-01 ppm1 1.556 ppm2 1.403 CV 1
ASSI { 267}
(( segid "PF1 " and resid 212 and name HA ))
( segid "PF1 " and resid 215 and name HB% )
2.500 0.800 0.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.38113E-02 ppm1 1.559 ppm2 4.128 CV 1
ASSI { 268}
(( segid "PF1 " and resid 215 and name HA ))
( segid "PF1 " and resid 215 and name HB% )
2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.52235E-02 ppm1 1.558 ppm2 4.030 CV 1
ASSI { 270}
( segid "PF1 " and resid 216 and name HB% )
(( segid "PF1 " and resid 216 and name HA ))
2.600 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.29945E-02 ppm1 3.977 ppm2 1.191 CV 1
ASSI { 271}
(( segid "PF1 " and resid 213 and name HA ))
( segid "PF1 " and resid 216 and name HB% )
3.100 1.200 1.200 peak 271 spectrum 1 weight 0.10000E+01 volume 0.10413E-02 ppm1 1.188 ppm2 3.851 CV 1
ASSI { 272}
(( segid "PF1 " and resid 213 and name HB1 ))
( segid "PF1 " and resid 216 and name HB% )
4.500 2.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.23310E-03 ppm1 1.194 ppm2 1.859 CV 1
ASSI { 273}
( segid "PF1 " and resid 212 and name HD2%)
( segid "PF1 " and resid 216 and name HB% )
3.000 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.18376E-02 ppm1 1.187 ppm2 0.893 CV 1
ASSI { 277}
( segid "PF1 " and resid 213 and name HD2%)
( segid "PF1 " and resid 216 and name HB% )
3.300 1.300 1.300 peak 277 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 1.185 ppm2 0.637 CV 1
ASSI { 278}
( segid "PF1 " and resid 213 and name HD1%)
( segid "PF1 " and resid 216 and name HB% )
2.900 1.100 1.100 peak 278 spectrum 1 weight 0.10000E+01 volume 0.21438E-02 ppm1 1.185 ppm2 0.798 CV 1
ASSI { 284}
( segid "PF1 " and resid 213 and name HD2%)
( segid "PF1 " and resid 217 and name HB% )
3.300 1.400 1.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.13390E-02 ppm1 1.358 ppm2 0.621 CV 1
ASSI { 289}
(( segid "PF1 " and resid 217 and name HA ))
( segid "PF1 " and resid 217 and name HB% )
2.400 0.700 0.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.46790E-02 ppm1 1.360 ppm2 4.017 CV 1
ASSI { 292}
(( segid "PF1 " and resid 218 and name HG1 ))
(( segid "PF1 " and resid 218 and name HB2 ))
4.300 2.300 1.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.16810E-03 ppm1 1.999 ppm2 2.506 CV 1
OR { 292}
(( segid "PF1 " and resid 218 and name HG2 ))
(( segid "PF1 " and resid 218 and name HB2 ))
ASSI { 293}
( segid "PF1 " and resid 217 and name HB% )
( segid "PF1 " and resid 218 and name HE% )
3.000 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.15160E-02 ppm1 1.953 ppm2 1.357 CV 1
ASSI { 294}
( segid "PF1 " and resid 214 and name HG2%)
( segid "PF1 " and resid 218 and name HE% )
3.000 1.200 1.200 peak 294 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 1.952 ppm2 0.779 CV 1
ASSI { 298}
(( segid "PF1 " and resid 218 and name HG2 ))
( segid "PF1 " and resid 218 and name HE% )
3.300 1.300 1.300 peak 298 spectrum 1 weight 0.10000E+01 volume 0.85072E-03 ppm1 1.954 ppm2 2.504 CV 1
OR { 298}
(( segid "PF1 " and resid 218 and name HG1 ))
( segid "PF1 " and resid 218 and name HE% )
ASSI { 299}
(( segid "PF1 " and resid 218 and name HB1 ))
(( segid "PF1 " and resid 218 and name HG1 ))
2.100 0.600 0.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.10379E-01 ppm1 2.490 ppm2 2.286 CV 1
OR { 299}
(( segid "PF1 " and resid 218 and name HB1 ))
(( segid "PF1 " and resid 218 and name HG2 ))
ASSI { 300}
(( segid "PF1 " and resid 223 and name HA ))
(( segid "PF1 " and resid 218 and name HG2 ))
3.300 1.400 1.400 peak 300 spectrum 1 weight 0.10000E+01 volume 0.11077E-02 ppm1 2.473 ppm2 4.357 CV 1
OR { 300}
(( segid "PF1 " and resid 223 and name HA ))
(( segid "PF1 " and resid 218 and name HG1 ))
ASSI { 301}
(( segid "PF1 " and resid 218 and name HB2 ))
(( segid "PF1 " and resid 218 and name HG1 ))
2.400 0.700 0.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.53766E-02 ppm1 2.485 ppm2 1.987 CV 1
OR { 301}
( segid "PF1 " and resid 218 and name HE% )
(( segid "PF1 " and resid 218 and name HG2 ))
OR { 301}
(( segid "PF1 " and resid 218 and name HB2 ))
(( segid "PF1 " and resid 218 and name HG2 ))
OR { 301}
( segid "PF1 " and resid 218 and name HE% )
(( segid "PF1 " and resid 218 and name HG1 ))
ASSI { 302}
(( segid "PF1 " and resid 219 and name HG1 ))
(( segid "PF1 " and resid 219 and name HA ))
2.900 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.21438E-02 ppm1 4.142 ppm2 2.342 CV 1
OR { 302}
(( segid "PF1 " and resid 219 and name HG2 ))
(( segid "PF1 " and resid 219 and name HA ))
ASSI { 303}
(( segid "PF1 " and resid 219 and name HB2 ))
(( segid "PF1 " and resid 219 and name HA ))
2.600 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.31137E-02 ppm1 4.140 ppm2 2.159 CV 1
ASSI { 308}
(( segid "PF1 " and resid 219 and name HB2 ))
(( segid "PF1 " and resid 219 and name HG2 ))
1.700 0.400 0.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.41005E-01 ppm1 2.349 ppm2 2.165 CV 1
OR { 308}
(( segid "PF1 " and resid 219 and name HB2 ))
(( segid "PF1 " and resid 219 and name HG1 ))
ASSI { 309}
(( segid "PF1 " and resid 220 and name HB1 ))
(( segid "PF1 " and resid 220 and name HA ))
3.000 1.100 1.100 peak 309 spectrum 1 weight 0.10000E+01 volume 0.13169E-02 ppm1 4.375 ppm2 1.988 CV 1
ASSI { 310}
(( segid "PF1 " and resid 220 and name HB2 ))
(( segid "PF1 " and resid 220 and name HA ))
2.700 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.26713E-02 ppm1 4.367 ppm2 1.780 CV 1
ASSI { 311}
(( segid "PF1 " and resid 220 and name HD2 ))
(( segid "PF1 " and resid 220 and name HA ))
2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.21608E-02 ppm1 4.369 ppm2 3.227 CV 1
OR { 311}
(( segid "PF1 " and resid 220 and name HD1 ))
(( segid "PF1 " and resid 220 and name HA ))
ASSI { 315}
(( segid "PF1 " and resid 220 and name HD2 ))
(( segid "PF1 " and resid 220 and name HB2 ))
4.400 2.400 1.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.19397E-03 ppm1 1.792 ppm2 3.217 CV 1
OR { 315}
(( segid "PF1 " and resid 220 and name HD1 ))
(( segid "PF1 " and resid 220 and name HB2 ))
ASSI { 316}
(( segid "PF1 " and resid 220 and name HD2 ))
(( segid "PF1 " and resid 220 and name HG1 ))
2.500 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.35901E-02 ppm1 1.707 ppm2 3.213 CV 1
OR { 316}
(( segid "PF1 " and resid 220 and name HD1 ))
(( segid "PF1 " and resid 220 and name HG1 ))
OR { 316}
(( segid "PF1 " and resid 220 and name HD1 ))
(( segid "PF1 " and resid 220 and name HG2 ))
OR { 316}
(( segid "PF1 " and resid 220 and name HD2 ))
(( segid "PF1 " and resid 220 and name HG2 ))
ASSI { 322}
(( segid "PF1 " and resid 220 and name HB1 ))
(( segid "PF1 " and resid 220 and name HD1 ))
3.100 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.13850E-02 ppm1 3.220 ppm2 1.962 CV 1
OR { 322}
(( segid "PF1 " and resid 220 and name HB1 ))
(( segid "PF1 " and resid 220 and name HD2 ))
ASSI { 324}
(( segid "PF1 " and resid 220 and name HG1 ))
(( segid "PF1 " and resid 220 and name HD2 ))
2.200 0.600 0.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.75715E-02 ppm1 3.220 ppm2 1.710 CV 1
OR { 324}
(( segid "PF1 " and resid 220 and name HG1 ))
(( segid "PF1 " and resid 220 and name HD1 ))
ASSI { 329}
(( segid "PF1 " and resid 222 and name HD1 ))
(( segid "PF1 " and resid 221 and name HA ))
2.600 0.900 0.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.23140E-02 ppm1 5.111 ppm2 3.715 CV 1
ASSI { 330}
(( segid "PF1 " and resid 222 and name HD2 ))
(( segid "PF1 " and resid 221 and name HA ))
2.900 1.100 1.100 peak 330 spectrum 1 weight 0.10000E+01 volume 0.19226E-02 ppm1 5.113 ppm2 3.625 CV 1
ASSI { 334}
(( segid "PF1 " and resid 222 and name HB1 ))
(( segid "PF1 " and resid 222 and name HA ))
2.300 0.600 0.600 peak 334 spectrum 1 weight 0.10000E+01 volume 0.60911E-02 ppm1 4.447 ppm2 2.300 CV 1
ASSI { 335}
(( segid "PF1 " and resid 222 and name HB2 ))
(( segid "PF1 " and resid 222 and name HA ))
3.000 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.24501E-02 ppm1 4.447 ppm2 1.993 CV 1
OR { 335}
(( segid "PF1 " and resid 222 and name HG1 ))
(( segid "PF1 " and resid 222 and name HA ))
ASSI { 338}
(( segid "PF1 " and resid 222 and name HA ))
(( segid "PF1 " and resid 222 and name HB2 ))
3.200 1.300 1.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.13731E-02 ppm1 1.981 ppm2 4.447 CV 1
ASSI { 343}
(( segid "PF1 " and resid 222 and name HA ))
(( segid "PF1 " and resid 222 and name HD2 ))
2.700 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.41345E-02 ppm1 3.619 ppm2 4.458 CV 1
ASSI { 349}
(( segid "PF1 " and resid 224 and name HB1 ))
(( segid "PF1 " and resid 224 and name HA ))
2.500 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.37262E-02 ppm1 4.141 ppm2 1.892 CV 1
OR { 349}
(( segid "PF1 " and resid 224 and name HB2 ))
(( segid "PF1 " and resid 224 and name HA ))
ASSI { 350}
(( segid "PF1 " and resid 224 and name HG1 ))
(( segid "PF1 " and resid 224 and name HA ))
3.200 1.300 1.300 peak 350 spectrum 1 weight 0.10000E+01 volume 0.12301E-02 ppm1 4.139 ppm2 2.110 CV 1
OR { 350}
(( segid "PF1 " and resid 224 and name HG2 ))
(( segid "PF1 " and resid 224 and name HA ))
ASSI { 353}
(( segid "PF1 " and resid 224 and name HB2 ))
(( segid "PF1 " and resid 224 and name HG2 ))
1.900 0.500 0.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.20928E-01 ppm1 2.102 ppm2 1.891 CV 1
OR { 353}
(( segid "PF1 " and resid 224 and name HB1 ))
(( segid "PF1 " and resid 224 and name HG1 ))
OR { 353}
(( segid "PF1 " and resid 224 and name HB1 ))
(( segid "PF1 " and resid 224 and name HG2 ))
OR { 353}
(( segid "PF1 " and resid 224 and name HB2 ))
(( segid "PF1 " and resid 224 and name HG1 ))
ASSI { 354}
(( segid "PF1 " and resid 225 and name HB1 ))
(( segid "PF1 " and resid 225 and name HA ))
2.900 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.14769E-02 ppm1 4.289 ppm2 3.178 CV 1
ASSI { 356}
(( segid "PF1 " and resid 225 and name HB2 ))
(( segid "PF1 " and resid 225 and name HB1 ))
1.900 0.500 0.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.11400E-01 ppm1 3.176 ppm2 2.830 CV 1
ASSI { 357}
( segid "PF1 " and resid 225 and name HD% )
(( segid "PF1 " and resid 225 and name HB1 ))
3.200 1.300 1.300 peak 357 spectrum 1 weight 0.10000E+01 volume 0.87454E-03 ppm1 3.172 ppm2 -0.728 CV 1
ASSI { 358}
(( segid "PF1 " and resid 225 and name HA ))
(( segid "PF1 " and resid 225 and name HB2 ))
3.900 1.900 1.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.46620E-03 ppm1 2.829 ppm2 4.291 CV 1
ASSI { 360}
( segid "PF1 " and resid 225 and name HD% )
(( segid "PF1 " and resid 225 and name HB2 ))
3.000 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.11604E-02 ppm1 2.842 ppm2 -0.728 CV 1
ASSI { 361}
(( segid "PF1 " and resid 226 and name HG2 ))
(( segid "PF1 " and resid 226 and name HA ))
2.900 1.100 1.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.21949E-02 ppm1 4.297 ppm2 2.293 CV 1
ASSI { 362}
(( segid "PF1 " and resid 228 and name HD1 ))
(( segid "PF1 " and resid 226 and name HA ))
3.300 1.300 1.300 peak 362 spectrum 1 weight 0.10000E+01 volume 0.96302E-03 ppm1 4.293 ppm2 3.848 CV 1
ASSI { 381}
(( segid "PF1 " and resid 227 and name HA ))
( segid "PF1 " and resid 227 and name HD1%)
3.900 1.900 1.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.35391E-03 ppm1 0.934 ppm2 4.576 CV 1
ASSI { 382}
(( segid "PF1 " and resid 227 and name HB2 ))
( segid "PF1 " and resid 227 and name HD1%)
2.200 0.600 0.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.72482E-02 ppm1 0.929 ppm2 1.597 CV 1
ASSI { 410}
(( segid "PF1 " and resid 229 and name HB2 ))
(( segid "PF1 " and resid 229 and name HA ))
2.600 0.800 0.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.35391E-02 ppm1 4.604 ppm2 2.795 CV 1
OR { 410}
(( segid "PF1 " and resid 229 and name HB1 ))
(( segid "PF1 " and resid 229 and name HA ))
ASSI { 412}
(( segid "PF1 " and resid 230 and name HB1 ))
(( segid "PF1 " and resid 230 and name HA ))
2.600 0.900 0.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.37773E-02 ppm1 4.286 ppm2 2.070 CV 1
ASSI { 413}
(( segid "PF1 " and resid 230 and name HB2 ))
(( segid "PF1 " and resid 230 and name HA ))
2.800 0.900 0.900 peak 413 spectrum 1 weight 0.10000E+01 volume 0.21949E-02 ppm1 4.285 ppm2 1.964 CV 1
ASSI { 414}
(( segid "PF1 " and resid 230 and name HG2 ))
(( segid "PF1 " and resid 230 and name HA ))
3.300 1.300 1.300 peak 414 spectrum 1 weight 0.10000E+01 volume 0.11332E-02 ppm1 4.285 ppm2 2.249 CV 1
OR { 414}
(( segid "PF1 " and resid 230 and name HG1 ))
(( segid "PF1 " and resid 230 and name HA ))
ASSI { 422}
(( segid "PF1 " and resid 230 and name HB1 ))
(( segid "PF1 " and resid 230 and name HG2 ))
2.000 0.500 0.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.15721E-01 ppm1 2.252 ppm2 2.072 CV 1
OR { 422}
(( segid "PF1 " and resid 230 and name HB1 ))
(( segid "PF1 " and resid 230 and name HG1 ))
ASSI { 423}
(( segid "PF1 " and resid 230 and name HB2 ))
(( segid "PF1 " and resid 230 and name HG1 ))
2.100 0.600 0.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.12914E-01 ppm1 2.259 ppm2 1.966 CV 1
OR { 423}
(( segid "PF1 " and resid 230 and name HB2 ))
(( segid "PF1 " and resid 230 and name HG2 ))
ASSI { 424}
(( segid "PF1 " and resid 231 and name HB2 ))
(( segid "PF1 " and resid 231 and name HA ))
2.400 0.700 0.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.54447E-02 ppm1 4.391 ppm2 1.625 CV 1
OR { 424}
(( segid "PF1 " and resid 231 and name HG ))
(( segid "PF1 " and resid 231 and name HA ))
ASSI { 425}
( segid "PF1 " and resid 231 and name HD2%)
(( segid "PF1 " and resid 231 and name HA ))
2.600 0.900 0.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.44578E-02 ppm1 4.397 ppm2 0.861 CV 1
ASSI { 427}
( segid "PF1 " and resid 231 and name HD1%)
(( segid "PF1 " and resid 231 and name HB2 ))
2.100 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.99026E-02 ppm1 1.603 ppm2 0.918 CV 1
ASSI { 428}
(( segid "PF1 " and resid 231 and name HA ))
(( segid "PF1 " and resid 231 and name HG ))
2.700 0.900 0.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.24841E-02 ppm1 1.607 ppm2 4.355 CV 1
ASSI { 429}
( segid "PF1 " and resid 231 and name HD2%)
(( segid "PF1 " and resid 231 and name HG ))
3.100 1.200 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.11042E-02 ppm1 1.610 ppm2 0.852 CV 1
ASSI { 431}
(( segid "PF1 " and resid 230 and name HG2 ))
( segid "PF1 " and resid 231 and name HD1%)
3.900 1.900 1.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.37432E-03 ppm1 0.937 ppm2 2.247 CV 1
OR { 431}
(( segid "PF1 " and resid 230 and name HG1 ))
( segid "PF1 " and resid 231 and name HD1%)
ASSI { 435}
(( segid "PF1 " and resid 231 and name HG ))
( segid "PF1 " and resid 231 and name HD2%)
2.200 0.600 0.600 peak 435 spectrum 1 weight 0.10000E+01 volume 0.87628E-02 ppm1 0.862 ppm2 1.603 CV 1
OR { 435}
(( segid "PF1 " and resid 231 and name HB2 ))
( segid "PF1 " and resid 231 and name HD2%)
ASSI { 436}
(( segid "PF1 " and resid 232 and name HB ))
(( segid "PF1 " and resid 232 and name HA ))
2.300 0.700 0.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.71459E-02 ppm1 4.427 ppm2 4.271 CV 1
ASSI { 440}
(( segid "PF1 " and resid 232 and name HA ))
( segid "PF1 " and resid 232 and name HG2%)
2.600 0.900 0.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.36241E-02 ppm1 1.193 ppm2 4.420 CV 1
ASSI { 444}
(( segid "PF1 " and resid 234 and name HA ))
(( segid "PF1 " and resid 234 and name HB ))
2.100 0.600 0.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.11093E-01 ppm1 4.208 ppm2 4.331 CV 1
ASSI { 452}
( segid "PF1 " and resid 199 and name HB% )
(( segid "PF1 " and resid 199 and name HA ))
2.900 1.100 1.100 peak 452 spectrum 1 weight 0.10000E+01 volume 0.16929E-02 ppm1 4.308 ppm2 1.338 CV 1
ASSI { 453}
(( segid "PF1 " and resid 236 and name HA ))
( segid "PF1 " and resid 236 and name HB% )
3.200 1.300 1.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.10022E-02 ppm1 1.370 ppm2 4.325 CV 1
ASSI { 461}
( segid "PF1 " and resid 237 and name HD2%)
(( segid "PF1 " and resid 237 and name HG ))
3.400 3.400 2.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.63126E-03 ppm1 1.687 ppm2 0.931 CV 1
OR { 461}
( segid "PF1 " and resid 237 and name HD1%)
(( segid "PF1 " and resid 237 and name HG ))
ASSI { 470}
(( segid "PF1 " and resid 204 and name HD1 ))
(( segid "PF1 " and resid 204 and name HB1 ))
3.400 1.400 1.400 peak 470 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 2.301 ppm2 3.847 CV 1
ASSI { 477}
( segid "PF1 " and resid 237 and name HD2%)
(( segid "PF1 " and resid 238 and name HD2 ))
2.500 0.800 0.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.33349E-02 ppm1 3.649 ppm2 0.929 CV 1
OR { 477}
( segid "PF1 " and resid 237 and name HD1%)
(( segid "PF1 " and resid 238 and name HD2 ))
ASSI { 481}
(( segid "PF1 " and resid 240 and name HB2 ))
(( segid "PF1 " and resid 240 and name HA ))
3.900 1.900 1.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.28585E-03 ppm1 4.520 ppm2 3.860 CV 1
ASSI { 482}
(( segid "PF1 " and resid 241 and name HB1 ))
(( segid "PF1 " and resid 241 and name HA ))
3.800 1.800 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.38113E-03 ppm1 4.286 ppm2 3.862 CV 1
OR { 482}
(( segid "PF1 " and resid 241 and name HB2 ))
(( segid "PF1 " and resid 241 and name HA ))
ASSI { 489}
(( segid "PF1 " and resid 225 and name HZ ))
(( segid "PF1 " and resid 225 and name HB1 ))
3.200 3.200 2.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.49512E-03 ppm1 3.181 ppm2 -0.786 CV 1
ASSI { 497}
(( segid "PF1 " and resid 212 and name HB2 ))
( segid "PF1 " and resid 213 and name HD1%)
3.900 1.900 1.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.58870E-03 ppm1 0.758 ppm2 1.404 CV 1
ASSI { 498}
( segid "PF1 " and resid 212 and name HD1%)
( segid "PF1 " and resid 212 and name HD2%)
1.700 0.400 0.500 peak 498 spectrum 1 weight 0.10000E+01 volume 0.47811E-01 ppm1 0.863 ppm2 0.961 CV 1
ASSI { 499}
(( segid "PF1 " and resid 213 and name HB2 ))
( segid "PF1 " and resid 212 and name HD2%)
3.200 1.300 1.300 peak 499 spectrum 1 weight 0.10000E+01 volume 0.11349E-02 ppm1 0.864 ppm2 1.088 CV 1
ASSI { 506}
(( segid "PF1 " and resid 221 and name HB1 ))
(( segid "PF1 " and resid 221 and name HA ))
3.100 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.93578E-03 ppm1 5.104 ppm2 2.857 CV 1
ASSI { 507}
(( segid "PF1 " and resid 221 and name HB2 ))
(( segid "PF1 " and resid 221 and name HA ))
3.300 1.400 1.400 peak 507 spectrum 1 weight 0.10000E+01 volume 0.10583E-02 ppm1 5.112 ppm2 2.773 CV 1
ASSI { 508}
(( segid "PF1 " and resid 218 and name HB2 ))
(( segid "PF1 " and resid 218 and name HA ))
3.600 1.600 1.600 peak 508 spectrum 1 weight 0.10000E+01 volume 0.57679E-03 ppm1 4.066 ppm2 2.018 CV 1
ASSI { 509}
(( segid "PF1 " and resid 213 and name HB1 ))
(( segid "PF1 " and resid 213 and name HA ))
4.100 2.100 1.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.21268E-03 ppm1 3.839 ppm2 1.848 CV 1
ASSI { 1}
(( segid "PAH2" and resid 294 and name HA ))
(( segid "PAH2" and resid 294 and name HN ))
3.600 1.600 1.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.77803E-03 ppm1 8.418 ppm2 4.259 CV 1
ASSI { 2}
( segid "PAH2" and resid 294 and name HB% )
(( segid "PAH2" and resid 294 and name HN ))
3.000 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.27056E-02 ppm1 8.418 ppm2 1.367 CV 1
ASSI { 3}
(( segid "PAH2" and resid 293 and name HB1 ))
(( segid "PAH2" and resid 294 and name HN ))
4.000 2.000 2.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.54737E-03 ppm1 8.418 ppm2 2.802 CV 1
ASSI { 4}
( segid "PAH2" and resid 294 and name HB% )
(( segid "PAH2" and resid 295 and name HN ))
3.800 1.800 1.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.10386E-02 ppm1 8.253 ppm2 1.371 CV 1
ASSI { 5}
(( segid "PAH2" and resid 295 and name HB2 ))
(( segid "PAH2" and resid 295 and name HN ))
3.000 1.100 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.28304E-02 ppm1 8.253 ppm2 3.870 CV 1
OR { 5}
(( segid "PAH2" and resid 295 and name HB1 ))
(( segid "PAH2" and resid 295 and name HN ))
ASSI { 6}
(( segid "PAH2" and resid 294 and name HA ))
(( segid "PAH2" and resid 295 and name HN ))
2.900 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.26433E-02 ppm1 8.253 ppm2 4.279 CV 1
ASSI { 7}
(( segid "PAH2" and resid 295 and name HA ))
(( segid "PAH2" and resid 295 and name HN ))
3.000 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.21321E-02 ppm1 8.252 ppm2 4.367 CV 1
ASSI { 8}
(( segid "PAH2" and resid 296 and name HA ))
(( segid "PAH2" and resid 296 and name HN ))
2.800 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.40522E-02 ppm1 8.057 ppm2 4.272 CV 1
ASSI { 9}
(( segid "PAH2" and resid 295 and name HA ))
(( segid "PAH2" and resid 296 and name HN ))
2.700 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.40647E-02 ppm1 8.055 ppm2 4.377 CV 1
ASSI { 10}
(( segid "PAH2" and resid 295 and name HB1 ))
(( segid "PAH2" and resid 296 and name HN ))
3.700 1.700 1.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10399E-02 ppm1 8.056 ppm2 3.869 CV 1
OR { 10}
(( segid "PAH2" and resid 295 and name HB2 ))
(( segid "PAH2" and resid 296 and name HN ))
ASSI { 11}
(( segid "PAH2" and resid 296 and name HB1 ))
(( segid "PAH2" and resid 296 and name HN ))
2.700 0.900 0.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.74061E-02 ppm1 8.055 ppm2 1.585 CV 1
OR { 11}
(( segid "PAH2" and resid 296 and name HG ))
(( segid "PAH2" and resid 296 and name HN ))
ASSI { 12}
(( segid "PAH2" and resid 296 and name HB2 ))
(( segid "PAH2" and resid 296 and name HN ))
3.000 1.100 1.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.18827E-02 ppm1 8.056 ppm2 1.452 CV 1
ASSI { 13}
( segid "PAH2" and resid 296 and name HD2%)
(( segid "PAH2" and resid 296 and name HN ))
4.100 2.100 1.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.69950E-03 ppm1 8.057 ppm2 0.836 CV 1
OR { 13}
( segid "PAH2" and resid 296 and name HD1%)
(( segid "PAH2" and resid 296 and name HN ))
ASSI { 14}
(( segid "PAH2" and resid 296 and name HA ))
(( segid "PAH2" and resid 297 and name HN ))
2.800 1.000 1.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.32667E-02 ppm1 8.134 ppm2 4.258 CV 1
ASSI { 15}
(( segid "PAH2" and resid 297 and name HA ))
(( segid "PAH2" and resid 297 and name HN ))
3.000 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.25685E-02 ppm1 8.135 ppm2 4.107 CV 1
ASSI { 17}
(( segid "PAH2" and resid 297 and name HG1 ))
(( segid "PAH2" and resid 297 and name HN ))
3.400 1.400 1.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.17705E-02 ppm1 8.136 ppm2 2.260 CV 1
OR { 17}
(( segid "PAH2" and resid 297 and name HG2 ))
(( segid "PAH2" and resid 297 and name HN ))
ASSI { 18}
(( segid "PAH2" and resid 297 and name HB1 ))
(( segid "PAH2" and resid 297 and name HN ))
3.100 1.200 1.200 peak 18 spectrum 1 weight 0.10000E+01 volume 0.30298E-02 ppm1 8.135 ppm2 1.978 CV 1
ASSI { 19}
(( segid "PAH2" and resid 297 and name HB2 ))
(( segid "PAH2" and resid 297 and name HN ))
2.700 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.41396E-02 ppm1 8.135 ppm2 1.825 CV 1
ASSI { 20}
(( segid "PAH2" and resid 296 and name HB1 ))
(( segid "PAH2" and resid 297 and name HN ))
3.200 1.300 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.20822E-02 ppm1 8.135 ppm2 1.581 CV 1
OR { 20}
(( segid "PAH2" and resid 296 and name HG ))
(( segid "PAH2" and resid 297 and name HN ))
ASSI { 21}
(( segid "PAH2" and resid 296 and name HB2 ))
(( segid "PAH2" and resid 297 and name HN ))
3.400 1.400 1.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 8.135 ppm2 1.479 CV 1
ASSI { 22}
( segid "PAH2" and resid 296 and name HD2%)
(( segid "PAH2" and resid 297 and name HN ))
4.900 3.000 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.24563E-03 ppm1 8.136 ppm2 0.839 CV 1
OR { 22}
( segid "PAH2" and resid 296 and name HD1%)
(( segid "PAH2" and resid 297 and name HN ))
ASSI { 25}
(( segid "PAH2" and resid 300 and name HA ))
(( segid "PAH2" and resid 299 and name HN ))
2.900 2.900 3.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.39650E-02 ppm1 8.309 ppm2 4.642 CV 1
ASSI { 26}
(( segid "PAH2" and resid 301 and name HD2 ))
(( segid "PAH2" and resid 300 and name HN ))
3.300 1.400 1.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.18952E-02 ppm1 8.189 ppm2 3.641 CV 1
OR { 26}
(( segid "PAH2" and resid 301 and name HD1 ))
(( segid "PAH2" and resid 300 and name HN ))
ASSI { 27}
(( segid "PAH2" and resid 299 and name HB2 ))
(( segid "PAH2" and resid 300 and name HN ))
3.500 1.500 1.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.17082E-02 ppm1 8.191 ppm2 2.790 CV 1
ASSI { 28}
(( segid "PAH2" and resid 300 and name HG1 ))
(( segid "PAH2" and resid 300 and name HN ))
2.900 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.33042E-02 ppm1 8.192 ppm2 2.339 CV 1
ASSI { 29}
(( segid "PAH2" and resid 300 and name HB1 ))
(( segid "PAH2" and resid 300 and name HN ))
3.100 1.200 1.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.40772E-02 ppm1 8.191 ppm2 2.209 CV 1
ASSI { 30}
(( segid "PAH2" and resid 300 and name HB2 ))
(( segid "PAH2" and resid 300 and name HN ))
2.400 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.75062E-02 ppm1 8.192 ppm2 1.944 CV 1
ASSI { 32}
(( segid "PAH2" and resid 301 and name HA ))
(( segid "PAH2" and resid 302 and name HN ))
2.700 0.900 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.42019E-02 ppm1 8.237 ppm2 4.473 CV 1
ASSI { 34}
(( segid "PAH2" and resid 301 and name HD2 ))
(( segid "PAH2" and resid 302 and name HN ))
3.300 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.77178E-03 ppm1 8.234 ppm2 3.638 CV 1
ASSI { 37}
( segid "PAH2" and resid 302 and name HG1%)
(( segid "PAH2" and resid 302 and name HN ))
2.300 0.700 0.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.79052E-02 ppm1 8.236 ppm2 0.966 CV 1
ASSI { 38}
(( segid "PAH2" and resid 303 and name HN ))
(( segid "PAH2" and resid 302 and name HN ))
2.800 1.000 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.22069E-02 ppm1 8.237 ppm2 8.978 CV 1
ASSI { 39}
(( segid "PAH2" and resid 304 and name HN ))
(( segid "PAH2" and resid 302 and name HN ))
4.400 2.500 1.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.34787E-03 ppm1 8.235 ppm2 8.778 CV 1
ASSI { 41}
(( segid "PAH2" and resid 302 and name HA ))
(( segid "PAH2" and resid 303 and name HN ))
3.300 1.400 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.13092E-02 ppm1 8.972 ppm2 3.888 CV 1
ASSI { 42}
(( segid "PAH2" and resid 303 and name HG2 ))
(( segid "PAH2" and resid 303 and name HN ))
4.200 2.200 1.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.10872E-02 ppm1 8.972 ppm2 2.362 CV 1
OR { 42}
(( segid "PAH2" and resid 303 and name HG1 ))
(( segid "PAH2" and resid 303 and name HN ))
ASSI { 43}
(( segid "PAH2" and resid 303 and name HB2 ))
(( segid "PAH2" and resid 303 and name HN ))
2.600 0.800 0.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.38652E-02 ppm1 8.976 ppm2 2.046 CV 1
ASSI { 44}
( segid "PAH2" and resid 302 and name HG2%)
(( segid "PAH2" and resid 303 and name HN ))
3.400 1.500 1.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.10473E-02 ppm1 8.974 ppm2 0.912 CV 1
ASSI { 46}
(( segid "PAH2" and resid 306 and name HN ))
(( segid "PAH2" and resid 305 and name HN ))
3.000 1.100 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.17082E-02 ppm1 8.371 ppm2 8.108 CV 1
ASSI { 48}
(( segid "PAH2" and resid 304 and name HB2 ))
(( segid "PAH2" and resid 305 and name HN ))
4.000 2.000 2.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.21072E-02 ppm1 8.367 ppm2 3.157 CV 1
ASSI { 49}
(( segid "PAH2" and resid 305 and name HB1 ))
(( segid "PAH2" and resid 305 and name HN ))
2.900 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.36657E-02 ppm1 8.369 ppm2 2.904 CV 1
ASSI { 50}
(( segid "PAH2" and resid 303 and name HG1 ))
(( segid "PAH2" and resid 304 and name HN ))
5.100 3.300 0.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.21944E-03 ppm1 8.783 ppm2 2.357 CV 1
OR { 50}
(( segid "PAH2" and resid 303 and name HG2 ))
(( segid "PAH2" and resid 304 and name HN ))
ASSI { 51}
(( segid "PAH2" and resid 303 and name HB1 ))
(( segid "PAH2" and resid 304 and name HN ))
3.600 1.700 1.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.43016E-03 ppm1 8.781 ppm2 2.140 CV 1
ASSI { 52}
(( segid "PAH2" and resid 303 and name HB2 ))
(( segid "PAH2" and resid 304 and name HN ))
4.000 2.000 2.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.94261E-03 ppm1 8.776 ppm2 2.051 CV 1
ASSI { 53}
( segid "PAH2" and resid 302 and name HG2%)
(( segid "PAH2" and resid 304 and name HN ))
4.500 2.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.54113E-03 ppm1 8.771 ppm2 0.908 CV 1
ASSI { 55}
(( segid "PAH2" and resid 303 and name HN ))
(( segid "PAH2" and resid 304 and name HN ))
2.700 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.28927E-02 ppm1 8.777 ppm2 8.956 CV 1
ASSI { 56}
(( segid "PAH2" and resid 304 and name HN ))
(( segid "PAH2" and resid 305 and name HN ))
3.100 1.200 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.16459E-02 ppm1 8.369 ppm2 8.789 CV 1
ASSI { 58}
(( segid "PAH2" and resid 306 and name HB1 ))
(( segid "PAH2" and resid 307 and name HN ))
3.400 1.400 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.91768E-03 ppm1 8.068 ppm2 3.538 CV 1
ASSI { 59}
(( segid "PAH2" and resid 306 and name HB2 ))
(( segid "PAH2" and resid 307 and name HN ))
3.700 1.700 1.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.10935E-02 ppm1 8.069 ppm2 3.451 CV 1
ASSI { 60}
( segid "PAH2" and resid 307 and name HB% )
(( segid "PAH2" and resid 307 and name HN ))
2.600 0.800 0.800 peak 60 spectrum 1 weight 0.10000E+01 volume 0.42019E-02 ppm1 8.068 ppm2 1.370 CV 1
ASSI { 62}
( segid "PAH2" and resid 308 and name HD1%)
(( segid "PAH2" and resid 308 and name HN ))
4.300 2.300 1.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.31046E-03 ppm1 8.062 ppm2 0.602 CV 1
ASSI { 63}
(( segid "PAH2" and resid 339 and name HB1 ))
(( segid "PAH2" and resid 339 and name HN ))
2.000 0.500 0.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17830E-01 ppm1 8.049 ppm2 2.054 CV 1
ASSI { 64}
( segid "PAH2" and resid 307 and name HB% )
(( segid "PAH2" and resid 308 and name HN ))
2.600 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.42143E-02 ppm1 8.061 ppm2 1.367 CV 1
ASSI { 65}
(( segid "PAH2" and resid 308 and name HG11))
(( segid "PAH2" and resid 308 and name HN ))
3.800 1.800 1.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.27056E-02 ppm1 8.061 ppm2 1.218 CV 1
ASSI { 69}
(( segid "PAH2" and resid 308 and name HA ))
(( segid "PAH2" and resid 309 and name HN ))
3.800 1.800 1.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.62964E-03 ppm1 8.105 ppm2 3.407 CV 1
ASSI { 70}
(( segid "PAH2" and resid 309 and name HB1 ))
(( segid "PAH2" and resid 309 and name HN ))
3.300 1.300 1.300 peak 70 spectrum 1 weight 0.10000E+01 volume 0.34787E-02 ppm1 8.107 ppm2 3.039 CV 1
ASSI { 71}
(( segid "PAH2" and resid 309 and name HB2 ))
(( segid "PAH2" and resid 309 and name HN ))
2.500 2.500 3.500 peak 71 spectrum 1 weight 0.10000E+01 volume 0.37779E-02 ppm1 8.110 ppm2 2.881 CV 1
ASSI { 72}
(( segid "PAH2" and resid 308 and name HB ))
(( segid "PAH2" and resid 309 and name HN ))
2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.71071E-02 ppm1 8.108 ppm2 1.823 CV 1
ASSI { 73}
(( segid "PAH2" and resid 308 and name HG11))
(( segid "PAH2" and resid 309 and name HN ))
4.700 2.800 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.91890E-03 ppm1 8.111 ppm2 1.220 CV 1
ASSI { 74}
(( segid "PAH2" and resid 310 and name HN ))
(( segid "PAH2" and resid 309 and name HN ))
2.800 1.000 1.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.20947E-02 ppm1 8.107 ppm2 8.548 CV 1
ASSI { 75}
(( segid "PAH2" and resid 311 and name HN ))
(( segid "PAH2" and resid 309 and name HN ))
3.000 3.000 3.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.29176E-02 ppm1 8.106 ppm2 8.333 CV 1
ASSI { 76}
(( segid "PAH2" and resid 310 and name HB1 ))
(( segid "PAH2" and resid 310 and name HN ))
2.900 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.22069E-02 ppm1 8.548 ppm2 3.308 CV 1
ASSI { 77}
(( segid "PAH2" and resid 309 and name HB2 ))
(( segid "PAH2" and resid 310 and name HN ))
2.700 2.700 3.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.33665E-02 ppm1 8.547 ppm2 2.887 CV 1
ASSI { 78}
(( segid "PAH2" and resid 309 and name HB1 ))
(( segid "PAH2" and resid 310 and name HN ))
3.600 1.600 1.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.11795E-02 ppm1 8.546 ppm2 3.035 CV 1
ASSI { 81}
(( segid "PAH2" and resid 312 and name HN ))
(( segid "PAH2" and resid 311 and name HN ))
2.400 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.56482E-02 ppm1 8.362 ppm2 8.113 CV 1
ASSI { 82}
(( segid "PAH2" and resid 310 and name HN ))
(( segid "PAH2" and resid 311 and name HN ))
2.400 0.700 0.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.53365E-02 ppm1 8.362 ppm2 8.527 CV 1
ASSI { 84}
(( segid "PAH2" and resid 310 and name HN ))
(( segid "PAH2" and resid 312 and name HN ))
3.200 1.300 1.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.19201E-02 ppm1 8.110 ppm2 8.519 CV 1
ASSI { 86}
(( segid "PAH2" and resid 312 and name HB1 ))
(( segid "PAH2" and resid 312 and name HN ))
2.400 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.85910E-02 ppm1 8.106 ppm2 2.760 CV 1
ASSI { 88}
(( segid "PAH2" and resid 311 and name HB ))
(( segid "PAH2" and resid 312 and name HN ))
2.400 0.700 0.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.50622E-02 ppm1 8.107 ppm2 2.185 CV 1
ASSI { 89}
( segid "PAH2" and resid 311 and name HG1%)
(( segid "PAH2" and resid 312 and name HN ))
3.700 1.800 1.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.14838E-02 ppm1 8.105 ppm2 1.060 CV 1
OR { 89}
( segid "PAH2" and resid 311 and name HG2%)
(( segid "PAH2" and resid 312 and name HN ))
ASSI { 90}
( segid "PAH2" and resid 308 and name HG2%)
(( segid "PAH2" and resid 309 and name HN ))
3.600 1.600 1.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.17705E-02 ppm1 8.109 ppm2 0.795 CV 1
OR { 90}
(( segid "PAH2" and resid 308 and name HG12))
(( segid "PAH2" and resid 309 and name HN ))
ASSI { 93}
(( segid "PAH2" and resid 314 and name HN ))
(( segid "PAH2" and resid 313 and name HN ))
2.800 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.18329E-02 ppm1 7.996 ppm2 7.811 CV 1
ASSI { 94}
(( segid "PAH2" and resid 312 and name HA ))
(( segid "PAH2" and resid 313 and name HN ))
2.900 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.32667E-02 ppm1 8.001 ppm2 4.366 CV 1
ASSI { 95}
(( segid "PAH2" and resid 309 and name HB2 ))
(( segid "PAH2" and resid 313 and name HN ))
3.500 1.500 1.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.14838E-02 ppm1 8.001 ppm2 2.860 CV 1
ASSI { 96}
(( segid "PAH2" and resid 312 and name HB1 ))
(( segid "PAH2" and resid 313 and name HN ))
3.600 1.600 1.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.79422E-03 ppm1 8.003 ppm2 2.698 CV 1
OR { 96}
(( segid "PAH2" and resid 312 and name HB2 ))
(( segid "PAH2" and resid 313 and name HN ))
ASSI { 97}
(( segid "PAH2" and resid 313 and name HB1 ))
(( segid "PAH2" and resid 313 and name HN ))
2.300 0.700 0.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.66208E-02 ppm1 8.001 ppm2 1.922 CV 1
OR { 97}
(( segid "PAH2" and resid 313 and name HB2 ))
(( segid "PAH2" and resid 313 and name HN ))
ASSI { 98}
(( segid "PAH2" and resid 313 and name HG1 ))
(( segid "PAH2" and resid 313 and name HN ))
3.600 1.700 1.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.30423E-02 ppm1 8.003 ppm2 1.577 CV 1
ASSI { 99}
(( segid "PAH2" and resid 311 and name HN ))
(( segid "PAH2" and resid 313 and name HN ))
3.700 1.700 1.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.77178E-03 ppm1 7.995 ppm2 8.384 CV 1
ASSI { 103}
(( segid "PAH2" and resid 314 and name HG11))
(( segid "PAH2" and resid 314 and name HN ))
2.300 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.28179E-02 ppm1 7.809 ppm2 1.027 CV 1
ASSI { 104}
( segid "PAH2" and resid 314 and name HG2%)
(( segid "PAH2" and resid 314 and name HN ))
4.900 3.000 1.100 peak 104 spectrum 1 weight 0.10000E+01 volume 0.47131E-03 ppm1 7.808 ppm2 0.798 CV 1
ASSI { 105}
(( segid "PAH2" and resid 314 and name HG12))
(( segid "PAH2" and resid 314 and name HN ))
4.200 2.200 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.90022E-03 ppm1 7.809 ppm2 0.370 CV 1
ASSI { 109}
(( segid "PAH2" and resid 316 and name HN ))
(( segid "PAH2" and resid 315 and name HN ))
2.500 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.47006E-02 ppm1 8.044 ppm2 7.873 CV 1
ASSI { 110}
(( segid "PAH2" and resid 314 and name HB ))
(( segid "PAH2" and resid 315 and name HN ))
2.600 0.800 0.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.28677E-02 ppm1 8.050 ppm2 1.824 CV 1
ASSI { 111}
(( segid "PAH2" and resid 315 and name HB2 ))
(( segid "PAH2" and resid 315 and name HN ))
2.500 0.800 0.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.27555E-02 ppm1 8.045 ppm2 1.381 CV 1
ASSI { 112}
(( segid "PAH2" and resid 313 and name HB1 ))
(( segid "PAH2" and resid 315 and name HN ))
3.700 1.700 1.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.15835E-02 ppm1 8.047 ppm2 1.947 CV 1
ASSI { 113}
(( segid "PAH2" and resid 315 and name HB1 ))
(( segid "PAH2" and resid 315 and name HN ))
3.200 1.200 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.33789E-02 ppm1 8.045 ppm2 1.595 CV 1
ASSI { 115}
(( segid "PAH2" and resid 315 and name HG2 ))
(( segid "PAH2" and resid 316 and name HN ))
4.400 2.400 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.53116E-03 ppm1 7.904 ppm2 0.764 CV 1
OR { 115}
(( segid "PAH2" and resid 315 and name HG1 ))
(( segid "PAH2" and resid 316 and name HN ))
ASSI { 116}
(( segid "PAH2" and resid 315 and name HB2 ))
(( segid "PAH2" and resid 316 and name HN ))
3.100 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.14464E-02 ppm1 7.904 ppm2 1.383 CV 1
ASSI { 118}
(( segid "PAH2" and resid 316 and name HB1 ))
(( segid "PAH2" and resid 316 and name HN ))
2.300 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.79798E-02 ppm1 7.902 ppm2 2.702 CV 1
ASSI { 119}
(( segid "PAH2" and resid 315 and name HA ))
(( segid "PAH2" and resid 316 and name HN ))
3.500 1.600 1.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.96256E-03 ppm1 7.904 ppm2 3.097 CV 1
ASSI { 120}
(( segid "PAH2" and resid 313 and name HA ))
(( segid "PAH2" and resid 316 and name HN ))
3.600 1.700 1.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.70696E-03 ppm1 7.901 ppm2 3.958 CV 1
ASSI { 121}
(( segid "PAH2" and resid 317 and name HN ))
(( segid "PAH2" and resid 316 and name HN ))
2.400 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.54113E-02 ppm1 7.901 ppm2 8.211 CV 1
ASSI { 123}
(( segid "PAH2" and resid 318 and name HN ))
(( segid "PAH2" and resid 317 and name HN ))
3.000 1.100 1.100 peak 123 spectrum 1 weight 0.10000E+01 volume 0.19077E-02 ppm1 8.209 ppm2 7.335 CV 1
ASSI { 125}
(( segid "PAH2" and resid 313 and name HA ))
(( segid "PAH2" and resid 317 and name HN ))
3.800 1.800 1.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.62345E-03 ppm1 8.206 ppm2 3.949 CV 1
ASSI { 126}
(( segid "PAH2" and resid 316 and name HB2 ))
(( segid "PAH2" and resid 317 and name HN ))
3.800 1.800 1.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 8.211 ppm2 2.691 CV 1
ASSI { 128}
(( segid "PAH2" and resid 317 and name HB2 ))
(( segid "PAH2" and resid 317 and name HN ))
2.700 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.22942E-02 ppm1 8.210 ppm2 1.135 CV 1
ASSI { 130}
(( segid "PAH2" and resid 317 and name HG2 ))
(( segid "PAH2" and resid 317 and name HN ))
4.900 3.000 1.100 peak 130 spectrum 1 weight 0.10000E+01 volume 0.29176E-03 ppm1 8.212 ppm2 0.492 CV 1
ASSI { 133}
(( segid "PAH2" and resid 319 and name HN ))
(( segid "PAH2" and resid 318 and name HN ))
2.500 0.800 0.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.56981E-02 ppm1 7.334 ppm2 7.216 CV 1
ASSI { 134}
(( segid "PAH2" and resid 315 and name HA ))
(( segid "PAH2" and resid 318 and name HN ))
3.900 1.900 1.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.38154E-03 ppm1 7.338 ppm2 3.109 CV 1
ASSI { 135}
(( segid "PAH2" and resid 318 and name HB2 ))
(( segid "PAH2" and resid 318 and name HN ))
2.800 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.20074E-02 ppm1 7.337 ppm2 2.441 CV 1
ASSI { 136}
(( segid "PAH2" and resid 317 and name HB1 ))
(( segid "PAH2" and resid 318 and name HN ))
3.500 1.600 1.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.58355E-03 ppm1 7.331 ppm2 1.620 CV 1
ASSI { 137}
(( segid "PAH2" and resid 317 and name HB2 ))
(( segid "PAH2" and resid 318 and name HN ))
3.800 1.800 1.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.10524E-02 ppm1 7.337 ppm2 1.137 CV 1
ASSI { 138}
(( segid "PAH2" and resid 320 and name HN ))
(( segid "PAH2" and resid 319 and name HN ))
3.200 1.300 1.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.14464E-02 ppm1 7.208 ppm2 8.891 CV 1
ASSI { 139}
(( segid "PAH2" and resid 321 and name HN ))
(( segid "PAH2" and resid 319 and name HN ))
3.800 1.800 1.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.93266E-03 ppm1 7.205 ppm2 7.736 CV 1
ASSI { 140}
(( segid "PAH2" and resid 318 and name HA ))
(( segid "PAH2" and resid 319 and name HN ))
3.400 1.400 1.400 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10960E-02 ppm1 7.207 ppm2 4.867 CV 1
ASSI { 141}
(( segid "PAH2" and resid 316 and name HA ))
(( segid "PAH2" and resid 319 and name HN ))
3.700 1.700 1.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.87032E-03 ppm1 7.208 ppm2 4.309 CV 1
ASSI { 144}
(( segid "PAH2" and resid 319 and name HB1 ))
(( segid "PAH2" and resid 319 and name HN ))
2.600 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.54487E-02 ppm1 7.207 ppm2 2.224 CV 1
ASSI { 145}
(( segid "PAH2" and resid 319 and name HB2 ))
(( segid "PAH2" and resid 319 and name HN ))
2.600 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.54612E-02 ppm1 7.207 ppm2 2.085 CV 1
ASSI { 149}
(( segid "PAH2" and resid 319 and name HA ))
(( segid "PAH2" and resid 320 and name HN ))
3.200 1.300 1.300 peak 149 spectrum 1 weight 0.10000E+01 volume 0.14089E-02 ppm1 8.885 ppm2 4.062 CV 1
ASSI { 150}
(( segid "PAH2" and resid 320 and name HA2 ))
(( segid "PAH2" and resid 320 and name HN ))
2.900 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.33540E-02 ppm1 8.885 ppm2 3.828 CV 1
ASSI { 152}
(( segid "PAH2" and resid 319 and name HB1 ))
(( segid "PAH2" and resid 320 and name HN ))
3.800 1.800 1.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.54362E-03 ppm1 8.882 ppm2 2.223 CV 1
ASSI { 153}
(( segid "PAH2" and resid 319 and name HB2 ))
(( segid "PAH2" and resid 320 and name HN ))
3.800 1.800 1.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.10262E-02 ppm1 8.884 ppm2 2.094 CV 1
ASSI { 155}
(( segid "PAH2" and resid 320 and name HN ))
(( segid "PAH2" and resid 321 and name HN ))
2.700 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.32792E-02 ppm1 7.744 ppm2 8.886 CV 1
ASSI { 158}
(( segid "PAH2" and resid 320 and name HA1 ))
(( segid "PAH2" and resid 321 and name HN ))
3.400 1.400 1.400 peak 158 spectrum 1 weight 0.10000E+01 volume 0.11695E-02 ppm1 7.745 ppm2 4.210 CV 1
ASSI { 159}
(( segid "PAH2" and resid 319 and name HA ))
(( segid "PAH2" and resid 321 and name HN ))
3.900 1.900 1.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.78051E-03 ppm1 7.747 ppm2 4.027 CV 1
ASSI { 160}
(( segid "PAH2" and resid 320 and name HA2 ))
(( segid "PAH2" and resid 321 and name HN ))
3.300 1.300 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.28802E-02 ppm1 7.740 ppm2 3.816 CV 1
ASSI { 161}
(( segid "PAH2" and resid 322 and name HD2 ))
(( segid "PAH2" and resid 321 and name HN ))
4.100 2.100 1.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.11484E-02 ppm1 7.743 ppm2 3.447 CV 1
ASSI { 162}
(( segid "PAH2" and resid 321 and name HB1 ))
(( segid "PAH2" and resid 321 and name HN ))
3.100 1.200 1.200 peak 162 spectrum 1 weight 0.10000E+01 volume 0.35535E-02 ppm1 7.742 ppm2 2.372 CV 1
OR { 162}
(( segid "PAH2" and resid 321 and name HG2 ))
(( segid "PAH2" and resid 321 and name HN ))
ASSI { 163}
(( segid "PAH2" and resid 321 and name HB2 ))
(( segid "PAH2" and resid 321 and name HN ))
2.700 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.27306E-02 ppm1 7.744 ppm2 2.154 CV 1
ASSI { 164}
(( segid "PAH2" and resid 321 and name HA ))
(( segid "PAH2" and resid 323 and name HN ))
3.900 1.900 1.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.49749E-03 ppm1 9.026 ppm2 4.935 CV 1
ASSI { 165}
(( segid "PAH2" and resid 322 and name HD1 ))
(( segid "PAH2" and resid 323 and name HN ))
4.200 2.200 1.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 9.025 ppm2 3.735 CV 1
ASSI { 166}
(( segid "PAH2" and resid 322 and name HD2 ))
(( segid "PAH2" and resid 323 and name HN ))
3.900 1.900 1.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.25685E-03 ppm1 9.024 ppm2 3.439 CV 1
ASSI { 167}
(( segid "PAH2" and resid 323 and name HB2 ))
(( segid "PAH2" and resid 323 and name HN ))
2.500 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.46133E-02 ppm1 9.025 ppm2 2.602 CV 1
ASSI { 168}
(( segid "PAH2" and resid 323 and name HB1 ))
(( segid "PAH2" and resid 323 and name HN ))
3.100 1.200 1.200 peak 168 spectrum 1 weight 0.10000E+01 volume 0.27181E-02 ppm1 9.025 ppm2 2.697 CV 1
ASSI { 169}
(( segid "PAH2" and resid 322 and name HB1 ))
(( segid "PAH2" and resid 323 and name HN ))
3.800 1.800 1.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.13217E-02 ppm1 9.024 ppm2 2.426 CV 1
ASSI { 170}
(( segid "PAH2" and resid 322 and name HG1 ))
(( segid "PAH2" and resid 323 and name HN ))
3.000 1.100 1.100 peak 170 spectrum 1 weight 0.10000E+01 volume 0.31919E-02 ppm1 9.024 ppm2 2.087 CV 1
OR { 170}
(( segid "PAH2" and resid 322 and name HG2 ))
(( segid "PAH2" and resid 323 and name HN ))
ASSI { 171}
(( segid "PAH2" and resid 324 and name HB ))
(( segid "PAH2" and resid 323 and name HN ))
4.500 2.500 1.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.51744E-03 ppm1 9.023 ppm2 1.531 CV 1
OR { 171}
(( segid "PAH2" and resid 324 and name HG11))
(( segid "PAH2" and resid 323 and name HN ))
ASSI { 172}
(( segid "PAH2" and resid 324 and name HN ))
(( segid "PAH2" and resid 323 and name HN ))
2.700 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.27555E-02 ppm1 9.025 ppm2 7.982 CV 1
ASSI { 173}
(( segid "PAH2" and resid 325 and name HN ))
(( segid "PAH2" and resid 324 and name HN ))
2.900 1.000 1.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.23441E-02 ppm1 7.977 ppm2 6.920 CV 1
ASSI { 175}
(( segid "PAH2" and resid 324 and name HA ))
(( segid "PAH2" and resid 324 and name HN ))
3.000 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 7.975 ppm2 3.691 CV 1
ASSI { 176}
(( segid "PAH2" and resid 323 and name HA ))
(( segid "PAH2" and resid 324 and name HN ))
3.500 1.600 1.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.98130E-03 ppm1 7.973 ppm2 4.352 CV 1
ASSI { 177}
(( segid "PAH2" and resid 323 and name HB2 ))
(( segid "PAH2" and resid 324 and name HN ))
3.800 1.800 1.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.71696E-03 ppm1 7.972 ppm2 2.584 CV 1
ASSI { 178}
(( segid "PAH2" and resid 323 and name HB1 ))
(( segid "PAH2" and resid 324 and name HN ))
3.200 1.300 1.300 peak 178 spectrum 1 weight 0.10000E+01 volume 0.14214E-02 ppm1 7.971 ppm2 2.700 CV 1
ASSI { 179}
(( segid "PAH2" and resid 321 and name HB1 ))
(( segid "PAH2" and resid 324 and name HN ))
3.200 1.300 1.300 peak 179 spectrum 1 weight 0.10000E+01 volume 0.13715E-02 ppm1 7.971 ppm2 2.356 CV 1
ASSI { 180}
(( segid "PAH2" and resid 324 and name HB ))
(( segid "PAH2" and resid 324 and name HN ))
2.000 0.500 0.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.14838E-01 ppm1 7.976 ppm2 1.514 CV 1
OR { 180}
(( segid "PAH2" and resid 324 and name HG11))
(( segid "PAH2" and resid 324 and name HN ))
ASSI { 181}
(( segid "PAH2" and resid 324 and name HG12))
(( segid "PAH2" and resid 324 and name HN ))
3.400 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.13217E-02 ppm1 7.979 ppm2 1.162 CV 1
ASSI { 182}
( segid "PAH2" and resid 324 and name HD1%)
(( segid "PAH2" and resid 324 and name HN ))
4.000 2.000 2.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.82042E-03 ppm1 7.981 ppm2 0.750 CV 1
ASSI { 183}
(( segid "PAH2" and resid 324 and name HB ))
(( segid "PAH2" and resid 325 and name HN ))
2.900 1.100 1.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.13466E-02 ppm1 6.922 ppm2 1.526 CV 1
ASSI { 184}
( segid "PAH2" and resid 324 and name HG2%)
(( segid "PAH2" and resid 325 and name HN ))
4.700 4.700 1.300 peak 184 spectrum 1 weight 0.10000E+01 volume 0.31046E-03 ppm1 6.900 ppm2 -0.017 CV 1
ASSI { 185}
(( segid "PAH2" and resid 325 and name HA ))
(( segid "PAH2" and resid 325 and name HN ))
3.900 1.900 1.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.34663E-03 ppm1 6.914 ppm2 4.147 CV 1
ASSI { 187}
(( segid "PAH2" and resid 326 and name HN ))
(( segid "PAH2" and resid 325 and name HN ))
2.900 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 6.912 ppm2 8.088 CV 1
ASSI { 188}
(( segid "PAH2" and resid 327 and name HN ))
(( segid "PAH2" and resid 326 and name HN ))
3.100 1.200 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 8.100 ppm2 7.816 CV 1
ASSI { 190}
(( segid "PAH2" and resid 323 and name HA ))
(( segid "PAH2" and resid 326 and name HN ))
4.000 2.000 2.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.47629E-03 ppm1 8.092 ppm2 4.361 CV 1
ASSI { 192}
(( segid "PAH2" and resid 326 and name HA ))
(( segid "PAH2" and resid 326 and name HN ))
3.300 1.400 1.400 peak 192 spectrum 1 weight 0.10000E+01 volume 0.10511E-02 ppm1 8.100 ppm2 3.694 CV 1
ASSI { 193}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 326 and name HN ))
2.400 0.700 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.57852E-02 ppm1 8.102 ppm2 1.846 CV 1
OR { 193}
(( segid "PAH2" and resid 326 and name HB1 ))
(( segid "PAH2" and resid 326 and name HN ))
ASSI { 195}
(( segid "PAH2" and resid 326 and name HG2 ))
(( segid "PAH2" and resid 326 and name HN ))
4.900 3.000 1.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.27680E-03 ppm1 8.106 ppm2 1.389 CV 1
ASSI { 196}
( segid "PAH2" and resid 327 and name HB% )
(( segid "PAH2" and resid 327 and name HN ))
2.000 0.500 0.500 peak 196 spectrum 1 weight 0.10000E+01 volume 0.20448E-01 ppm1 7.809 ppm2 1.508 CV 1
ASSI { 197}
(( segid "PAH2" and resid 326 and name HB1 ))
(( segid "PAH2" and resid 327 and name HN ))
2.400 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.63091E-02 ppm1 7.809 ppm2 1.848 CV 1
OR { 197}
(( segid "PAH2" and resid 326 and name HB2 ))
(( segid "PAH2" and resid 327 and name HN ))
ASSI { 201}
(( segid "PAH2" and resid 327 and name HA ))
(( segid "PAH2" and resid 328 and name HN ))
3.400 1.400 1.400 peak 201 spectrum 1 weight 0.10000E+01 volume 0.15585E-02 ppm1 8.016 ppm2 4.080 CV 1
ASSI { 202}
(( segid "PAH2" and resid 328 and name HA ))
(( segid "PAH2" and resid 328 and name HN ))
3.300 1.400 1.400 peak 202 spectrum 1 weight 0.10000E+01 volume 0.95013E-03 ppm1 8.015 ppm2 3.866 CV 1
ASSI { 203}
(( segid "PAH2" and resid 328 and name HB2 ))
(( segid "PAH2" and resid 328 and name HN ))
3.000 1.100 1.100 peak 203 spectrum 1 weight 0.10000E+01 volume 0.16708E-02 ppm1 8.016 ppm2 2.970 CV 1
ASSI { 204}
( segid "PAH2" and resid 327 and name HB% )
(( segid "PAH2" and resid 328 and name HN ))
3.000 1.100 1.100 peak 204 spectrum 1 weight 0.10000E+01 volume 0.18204E-02 ppm1 8.016 ppm2 1.505 CV 1
ASSI { 206}
( segid "PAH2" and resid 329 and name HD1%)
(( segid "PAH2" and resid 329 and name HN ))
4.400 2.500 1.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.61096E-03 ppm1 7.881 ppm2 0.729 CV 1
ASSI { 207}
(( segid "PAH2" and resid 329 and name HB2 ))
(( segid "PAH2" and resid 329 and name HN ))
4.100 2.100 1.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.18453E-03 ppm1 7.871 ppm2 1.069 CV 1
ASSI { 208}
(( segid "PAH2" and resid 329 and name HG ))
(( segid "PAH2" and resid 329 and name HN ))
3.600 1.600 1.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.15960E-02 ppm1 7.871 ppm2 1.393 CV 1
ASSI { 209}
(( segid "PAH2" and resid 329 and name HB1 ))
(( segid "PAH2" and resid 329 and name HN ))
3.500 1.500 1.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.96880E-03 ppm1 7.866 ppm2 1.757 CV 1
ASSI { 210}
(( segid "PAH2" and resid 328 and name HB1 ))
(( segid "PAH2" and resid 329 and name HN ))
3.100 1.200 1.200 peak 210 spectrum 1 weight 0.10000E+01 volume 0.92514E-03 ppm1 7.873 ppm2 3.414 CV 1
ASSI { 211}
(( segid "PAH2" and resid 328 and name HN ))
(( segid "PAH2" and resid 329 and name HN ))
2.900 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.19950E-02 ppm1 7.870 ppm2 8.032 CV 1
ASSI { 212}
(( segid "PAH2" and resid 330 and name HN ))
(( segid "PAH2" and resid 331 and name HN ))
2.900 1.100 1.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.16084E-02 ppm1 7.757 ppm2 8.168 CV 1
ASSI { 213}
( segid "PAH2" and resid 331 and name HD1%)
(( segid "PAH2" and resid 331 and name HN ))
4.600 2.700 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.68700E-03 ppm1 7.761 ppm2 0.703 CV 1
ASSI { 214}
( segid "PAH2" and resid 331 and name HG2%)
(( segid "PAH2" and resid 331 and name HN ))
4.500 2.600 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.60969E-03 ppm1 7.756 ppm2 0.799 CV 1
ASSI { 215}
(( segid "PAH2" and resid 331 and name HG12))
(( segid "PAH2" and resid 331 and name HN ))
4.400 2.400 1.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.64086E-03 ppm1 7.757 ppm2 1.015 CV 1
ASSI { 216}
(( segid "PAH2" and resid 331 and name HG11))
(( segid "PAH2" and resid 331 and name HN ))
2.300 0.600 0.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.55360E-02 ppm1 7.759 ppm2 1.777 CV 1
OR { 216}
(( segid "PAH2" and resid 331 and name HB ))
(( segid "PAH2" and resid 331 and name HN ))
ASSI { 217}
(( segid "PAH2" and resid 330 and name HB2 ))
(( segid "PAH2" and resid 331 and name HN ))
3.400 1.400 1.400 peak 217 spectrum 1 weight 0.10000E+01 volume 0.87281E-03 ppm1 7.756 ppm2 2.063 CV 1
OR { 217}
(( segid "PAH2" and resid 330 and name HB1 ))
(( segid "PAH2" and resid 331 and name HN ))
ASSI { 219}
(( segid "PAH2" and resid 332 and name HN ))
(( segid "PAH2" and resid 331 and name HN ))
3.600 1.600 1.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.48502E-03 ppm1 7.764 ppm2 7.065 CV 1
ASSI { 221}
(( segid "PAH2" and resid 332 and name HA ))
(( segid "PAH2" and resid 332 and name HN ))
4.600 2.600 1.400 peak 221 spectrum 1 weight 0.10000E+01 volume 0.14713E-03 ppm1 7.070 ppm2 3.872 CV 1
ASSI { 222}
(( segid "PAH2" and resid 332 and name HG ))
(( segid "PAH2" and resid 332 and name HN ))
3.600 1.600 1.600 peak 222 spectrum 1 weight 0.10000E+01 volume 0.13217E-02 ppm1 7.073 ppm2 1.329 CV 1
ASSI { 227}
(( segid "PAH2" and resid 334 and name HN ))
(( segid "PAH2" and resid 333 and name HN ))
2.800 1.000 1.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.27181E-02 ppm1 8.894 ppm2 8.697 CV 1
ASSI { 228}
(( segid "PAH2" and resid 333 and name HA ))
(( segid "PAH2" and resid 333 and name HN ))
3.700 1.800 1.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.60720E-03 ppm1 8.891 ppm2 4.383 CV 1
ASSI { 229}
(( segid "PAH2" and resid 330 and name HA ))
(( segid "PAH2" and resid 333 and name HN ))
4.300 2.300 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.28553E-03 ppm1 8.890 ppm2 4.073 CV 1
ASSI { 230}
(( segid "PAH2" and resid 333 and name HB1 ))
(( segid "PAH2" and resid 333 and name HN ))
3.100 1.200 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.14588E-02 ppm1 8.892 ppm2 3.231 CV 1
ASSI { 231}
(( segid "PAH2" and resid 333 and name HB2 ))
(( segid "PAH2" and resid 333 and name HN ))
3.300 1.400 1.400 peak 231 spectrum 1 weight 0.10000E+01 volume 0.98251E-03 ppm1 8.893 ppm2 2.972 CV 1
ASSI { 232}
(( segid "PAH2" and resid 331 and name HB ))
(( segid "PAH2" and resid 333 and name HN ))
4.900 3.000 1.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.36159E-03 ppm1 8.886 ppm2 1.750 CV 1
ASSI { 236}
(( segid "PAH2" and resid 334 and name HB ))
(( segid "PAH2" and resid 334 and name HN ))
2.800 1.000 1.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.23939E-02 ppm1 8.670 ppm2 4.352 CV 1
ASSI { 238}
(( segid "PAH2" and resid 335 and name HB1 ))
(( segid "PAH2" and resid 334 and name HN ))
4.300 2.300 1.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.89276E-03 ppm1 8.669 ppm2 3.227 CV 1
ASSI { 240}
( segid "PAH2" and resid 334 and name HG2%)
(( segid "PAH2" and resid 334 and name HN ))
4.500 2.500 1.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.75432E-03 ppm1 8.668 ppm2 1.252 CV 1
ASSI { 242}
(( segid "PAH2" and resid 335 and name HB1 ))
(( segid "PAH2" and resid 335 and name HN ))
2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.26309E-02 ppm1 8.155 ppm2 3.235 CV 1
ASSI { 243}
(( segid "PAH2" and resid 335 and name HB2 ))
(( segid "PAH2" and resid 335 and name HN ))
2.700 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.28428E-02 ppm1 8.157 ppm2 2.964 CV 1
ASSI { 246}
(( segid "PAH2" and resid 336 and name HN ))
(( segid "PAH2" and resid 335 and name HN ))
2.600 0.900 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.34787E-02 ppm1 8.152 ppm2 8.439 CV 1
ASSI { 247}
(( segid "PAH2" and resid 334 and name HN ))
(( segid "PAH2" and resid 335 and name HN ))
2.500 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.52367E-02 ppm1 8.157 ppm2 8.673 CV 1
ASSI { 249}
(( segid "PAH2" and resid 336 and name HB2 ))
(( segid "PAH2" and resid 336 and name HN ))
2.900 1.000 1.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.24688E-02 ppm1 8.448 ppm2 2.232 CV 1
ASSI { 250}
(( segid "PAH2" and resid 335 and name HB1 ))
(( segid "PAH2" and resid 336 and name HN ))
3.500 1.500 1.500 peak 250 spectrum 1 weight 0.10000E+01 volume 0.44014E-03 ppm1 8.445 ppm2 3.219 CV 1
ASSI { 251}
(( segid "PAH2" and resid 335 and name HB2 ))
(( segid "PAH2" and resid 336 and name HN ))
5.400 3.600 0.600 peak 251 spectrum 1 weight 0.10000E+01 volume 0.24937E-03 ppm1 8.444 ppm2 2.950 CV 1
ASSI { 255}
(( segid "PAH2" and resid 338 and name HN ))
(( segid "PAH2" and resid 337 and name HN ))
2.500 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.47006E-02 ppm1 8.299 ppm2 8.123 CV 1
ASSI { 256}
(( segid "PAH2" and resid 336 and name HN ))
(( segid "PAH2" and resid 337 and name HN ))
2.700 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.30797E-02 ppm1 8.298 ppm2 8.450 CV 1
ASSI { 258}
(( segid "PAH2" and resid 336 and name HB2 ))
(( segid "PAH2" and resid 337 and name HN ))
3.800 1.800 1.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.11858E-02 ppm1 8.298 ppm2 2.241 CV 1
ASSI { 259}
(( segid "PAH2" and resid 337 and name HB1 ))
(( segid "PAH2" and resid 337 and name HN ))
2.400 0.700 0.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.57355E-02 ppm1 8.304 ppm2 1.830 CV 1
OR { 259}
(( segid "PAH2" and resid 337 and name HB2 ))
(( segid "PAH2" and resid 337 and name HN ))
ASSI { 260}
(( segid "PAH2" and resid 337 and name HG1 ))
(( segid "PAH2" and resid 337 and name HN ))
4.500 2.500 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.48253E-03 ppm1 8.298 ppm2 1.435 CV 1
ASSI { 262}
(( segid "PAH2" and resid 336 and name HB2 ))
(( segid "PAH2" and resid 338 and name HN ))
2.800 2.800 3.200 peak 262 spectrum 1 weight 0.10000E+01 volume 0.10249E-01 ppm1 8.098 ppm2 2.247 CV 1
ASSI { 263}
(( segid "PAH2" and resid 338 and name HG2 ))
(( segid "PAH2" and resid 338 and name HN ))
2.600 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.48004E-02 ppm1 8.098 ppm2 2.405 CV 1
OR { 263}
(( segid "PAH2" and resid 338 and name HG1 ))
(( segid "PAH2" and resid 338 and name HN ))
ASSI { 267}
(( segid "PAH2" and resid 341 and name HN ))
(( segid "PAH2" and resid 340 and name HN ))
2.300 0.700 0.700 peak 267 spectrum 1 weight 0.10000E+01 volume 0.70823E-02 ppm1 7.935 ppm2 8.239 CV 1
ASSI { 268}
(( segid "PAH2" and resid 375 and name HB1 ))
(( segid "PAH2" and resid 376 and name HN ))
2.900 1.000 1.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.38403E-02 ppm1 7.932 ppm2 2.128 CV 1
ASSI { 270}
(( segid "PAH2" and resid 340 and name HG1 ))
(( segid "PAH2" and resid 340 and name HN ))
3.700 1.700 1.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.20448E-02 ppm1 7.930 ppm2 1.722 CV 1
ASSI { 276}
(( segid "PAH2" and resid 341 and name HB1 ))
(( segid "PAH2" and resid 341 and name HN ))
2.900 1.000 1.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.45011E-02 ppm1 8.238 ppm2 2.704 CV 1
ASSI { 277}
(( segid "PAH2" and resid 341 and name HB2 ))
(( segid "PAH2" and resid 341 and name HN ))
2.600 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.36657E-02 ppm1 8.237 ppm2 2.371 CV 1
ASSI { 278}
(( segid "PAH2" and resid 340 and name HB2 ))
(( segid "PAH2" and resid 341 and name HN ))
2.500 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.60223E-02 ppm1 8.237 ppm2 1.897 CV 1
OR { 278}
(( segid "PAH2" and resid 340 and name HB1 ))
(( segid "PAH2" and resid 341 and name HN ))
ASSI { 279}
(( segid "PAH2" and resid 340 and name HG1 ))
(( segid "PAH2" and resid 341 and name HN ))
4.400 2.500 1.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.64589E-03 ppm1 8.241 ppm2 1.727 CV 1
ASSI { 281}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 341 and name HN ))
4.800 2.900 1.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.41645E-03 ppm1 8.238 ppm2 1.411 CV 1
ASSI { 283}
(( segid "PAH2" and resid 341 and name HB2 ))
(( segid "PAH2" and resid 342 and name HN ))
3.400 1.400 1.400 peak 283 spectrum 1 weight 0.10000E+01 volume 0.16708E-02 ppm1 7.926 ppm2 2.370 CV 1
ASSI { 284}
(( segid "PAH2" and resid 341 and name HB1 ))
(( segid "PAH2" and resid 342 and name HN ))
2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.35286E-02 ppm1 7.926 ppm2 2.706 CV 1
ASSI { 287}
(( segid "PAH2" and resid 341 and name HA ))
(( segid "PAH2" and resid 342 and name HN ))
3.200 1.300 1.300 peak 287 spectrum 1 weight 0.10000E+01 volume 0.19451E-02 ppm1 7.924 ppm2 4.284 CV 1
ASSI { 289}
(( segid "PAH2" and resid 343 and name HN ))
(( segid "PAH2" and resid 342 and name HN ))
2.500 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.53739E-02 ppm1 7.924 ppm2 7.753 CV 1
ASSI { 290}
(( segid "PAH2" and resid 341 and name HN ))
(( segid "PAH2" and resid 342 and name HN ))
2.300 0.700 0.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.70447E-02 ppm1 7.924 ppm2 8.239 CV 1
ASSI { 292}
(( segid "PAH2" and resid 344 and name HN ))
(( segid "PAH2" and resid 343 and name HN ))
2.100 0.600 0.600 peak 292 spectrum 1 weight 0.10000E+01 volume 0.11484E-01 ppm1 7.747 ppm2 7.973 CV 1
ASSI { 293}
(( segid "PAH2" and resid 341 and name HA ))
(( segid "PAH2" and resid 343 and name HN ))
4.000 2.000 2.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.68828E-03 ppm1 7.746 ppm2 4.273 CV 1
ASSI { 298}
(( segid "PAH2" and resid 343 and name HB2 ))
(( segid "PAH2" and resid 343 and name HN ))
2.200 0.600 0.600 peak 298 spectrum 1 weight 0.10000E+01 volume 0.10760E-01 ppm1 7.747 ppm2 1.910 CV 1
OR { 298}
(( segid "PAH2" and resid 343 and name HB1 ))
(( segid "PAH2" and resid 343 and name HN ))
ASSI { 299}
(( segid "PAH2" and resid 343 and name HD2 ))
(( segid "PAH2" and resid 343 and name HN ))
4.400 2.400 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.70071E-03 ppm1 7.747 ppm2 1.666 CV 1
OR { 299}
(( segid "PAH2" and resid 343 and name HD1 ))
(( segid "PAH2" and resid 343 and name HN ))
ASSI { 300}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 343 and name HN ))
2.600 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.52991E-02 ppm1 7.747 ppm2 1.423 CV 1
ASSI { 301}
(( segid "PAH2" and resid 341 and name HA ))
(( segid "PAH2" and resid 344 and name HN ))
3.200 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.18204E-02 ppm1 7.999 ppm2 4.278 CV 1
ASSI { 303}
(( segid "PAH2" and resid 344 and name HG1 ))
(( segid "PAH2" and resid 344 and name HN ))
3.500 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.30049E-02 ppm1 8.002 ppm2 2.361 CV 1
ASSI { 304}
(( segid "PAH2" and resid 344 and name HG2 ))
(( segid "PAH2" and resid 344 and name HN ))
3.700 1.700 1.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.25186E-02 ppm1 8.003 ppm2 2.256 CV 1
ASSI { 306}
(( segid "PAH2" and resid 344 and name HB1 ))
(( segid "PAH2" and resid 344 and name HN ))
2.400 0.700 0.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.69325E-02 ppm1 8.002 ppm2 2.053 CV 1
ASSI { 307}
(( segid "PAH2" and resid 343 and name HD2 ))
(( segid "PAH2" and resid 344 and name HN ))
3.600 1.600 1.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.25934E-03 ppm1 8.002 ppm2 1.662 CV 1
OR { 307}
(( segid "PAH2" and resid 343 and name HD1 ))
(( segid "PAH2" and resid 344 and name HN ))
ASSI { 310}
(( segid "PAH2" and resid 344 and name HB1 ))
(( segid "PAH2" and resid 345 and name HN ))
2.700 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.32044E-02 ppm1 7.769 ppm2 2.055 CV 1
ASSI { 311}
(( segid "PAH2" and resid 344 and name HG1 ))
(( segid "PAH2" and resid 345 and name HN ))
3.800 1.800 1.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.15461E-02 ppm1 7.770 ppm2 2.341 CV 1
ASSI { 312}
(( segid "PAH2" and resid 344 and name HG2 ))
(( segid "PAH2" and resid 345 and name HN ))
3.400 1.400 1.400 peak 312 spectrum 1 weight 0.10000E+01 volume 0.16583E-02 ppm1 7.770 ppm2 2.249 CV 1
ASSI { 317}
(( segid "PAH2" and resid 345 and name HA ))
(( segid "PAH2" and resid 345 and name HN ))
2.600 0.800 0.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.59847E-02 ppm1 7.770 ppm2 4.309 CV 1
ASSI { 320}
(( segid "PAH2" and resid 347 and name HN ))
(( segid "PAH2" and resid 345 and name HN ))
3.200 1.200 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.51121E-02 ppm1 7.770 ppm2 8.232 CV 1
ASSI { 321}
(( segid "PAH2" and resid 347 and name HN ))
(( segid "PAH2" and resid 346 and name HN ))
2.400 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.49126E-02 ppm1 8.018 ppm2 8.257 CV 1
ASSI { 322}
(( segid "PAH2" and resid 345 and name HA ))
(( segid "PAH2" and resid 346 and name HN ))
3.000 1.100 1.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.31421E-02 ppm1 8.018 ppm2 4.308 CV 1
ASSI { 323}
(( segid "PAH2" and resid 346 and name HA1 ))
(( segid "PAH2" and resid 346 and name HN ))
2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.64086E-02 ppm1 8.018 ppm2 4.010 CV 1
ASSI { 324}
(( segid "PAH2" and resid 346 and name HA2 ))
(( segid "PAH2" and resid 346 and name HN ))
2.300 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.92514E-02 ppm1 8.019 ppm2 3.913 CV 1
ASSI { 327}
( segid "PAH2" and resid 345 and name HB% )
(( segid "PAH2" and resid 346 and name HN ))
3.000 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.23441E-02 ppm1 8.023 ppm2 1.423 CV 1
ASSI { 328}
(( segid "PAH2" and resid 345 and name HA ))
(( segid "PAH2" and resid 347 and name HN ))
4.900 3.000 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.36034E-03 ppm1 8.264 ppm2 4.310 CV 1
ASSI { 330}
(( segid "PAH2" and resid 347 and name HA2 ))
(( segid "PAH2" and resid 347 and name HN ))
2.200 2.200 3.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.88403E-02 ppm1 8.263 ppm2 3.873 CV 1
ASSI { 331}
( segid "PAH2" and resid 345 and name HB% )
(( segid "PAH2" and resid 347 and name HN ))
3.300 1.400 1.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.11359E-02 ppm1 8.262 ppm2 1.419 CV 1
ASSI { 339}
(( segid "PAH2" and resid 349 and name HB1 ))
(( segid "PAH2" and resid 349 and name HN ))
2.400 0.700 0.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.57230E-02 ppm1 7.896 ppm2 2.927 CV 1
ASSI { 341}
(( segid "PAH2" and resid 347 and name HA1 ))
(( segid "PAH2" and resid 349 and name HN ))
3.500 1.500 1.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.34413E-02 ppm1 7.884 ppm2 4.057 CV 1
ASSI { 342}
(( segid "PAH2" and resid 349 and name HA ))
(( segid "PAH2" and resid 349 and name HN ))
2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.31046E-02 ppm1 7.896 ppm2 4.489 CV 1
ASSI { 343}
(( segid "PAH2" and resid 348 and name HA ))
(( segid "PAH2" and resid 349 and name HN ))
2.700 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.62842E-02 ppm1 7.895 ppm2 4.753 CV 1
ASSI { 347}
(( segid "PAH2" and resid 348 and name HN ))
(( segid "PAH2" and resid 349 and name HN ))
2.100 0.500 0.500 peak 347 spectrum 1 weight 0.10000E+01 volume 0.13964E-01 ppm1 7.897 ppm2 8.059 CV 1
ASSI { 349}
(( segid "PAH2" and resid 350 and name HB ))
(( segid "PAH2" and resid 350 and name HN ))
2.900 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.38029E-02 ppm1 7.967 ppm2 3.836 CV 1
ASSI { 350}
(( segid "PAH2" and resid 351 and name HD1 ))
(( segid "PAH2" and resid 350 and name HN ))
4.000 2.000 2.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.15211E-02 ppm1 7.963 ppm2 3.702 CV 1
OR { 350}
(( segid "PAH2" and resid 351 and name HD2 ))
(( segid "PAH2" and resid 350 and name HN ))
ASSI { 351}
(( segid "PAH2" and resid 349 and name HB1 ))
(( segid "PAH2" and resid 350 and name HN ))
3.600 1.600 1.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.14214E-02 ppm1 7.963 ppm2 2.929 CV 1
ASSI { 352}
(( segid "PAH2" and resid 349 and name HB2 ))
(( segid "PAH2" and resid 350 and name HN ))
3.900 1.900 1.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.12718E-02 ppm1 7.968 ppm2 2.742 CV 1
ASSI { 353}
( segid "PAH2" and resid 350 and name HG2%)
(( segid "PAH2" and resid 350 and name HN ))
3.600 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10099E-02 ppm1 7.965 ppm2 1.098 CV 1
ASSI { 354}
(( segid "PAH2" and resid 351 and name HB2 ))
(( segid "PAH2" and resid 352 and name HN ))
3.700 1.700 1.700 peak 354 spectrum 1 weight 0.10000E+01 volume 0.82417E-03 ppm1 8.847 ppm2 1.871 CV 1
ASSI { 356}
(( segid "PAH2" and resid 351 and name HB1 ))
(( segid "PAH2" and resid 352 and name HN ))
3.400 1.400 1.400 peak 356 spectrum 1 weight 0.10000E+01 volume 0.18703E-02 ppm1 8.848 ppm2 2.293 CV 1
ASSI { 357}
(( segid "PAH2" and resid 351 and name HA ))
(( segid "PAH2" and resid 352 and name HN ))
2.100 0.500 0.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.14339E-01 ppm1 8.846 ppm2 4.321 CV 1
ASSI { 358}
(( segid "PAH2" and resid 353 and name HN ))
(( segid "PAH2" and resid 352 and name HN ))
2.700 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.31545E-02 ppm1 8.847 ppm2 7.644 CV 1
ASSI { 359}
(( segid "PAH2" and resid 354 and name HN ))
(( segid "PAH2" and resid 353 and name HN ))
4.300 2.300 1.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.75808E-03 ppm1 7.637 ppm2 8.088 CV 1
ASSI { 360}
(( segid "PAH2" and resid 353 and name HA ))
(( segid "PAH2" and resid 353 and name HN ))
3.100 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.15211E-02 ppm1 7.640 ppm2 4.657 CV 1
ASSI { 361}
(( segid "PAH2" and resid 352 and name HA ))
(( segid "PAH2" and resid 353 and name HN ))
3.000 1.100 1.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.25311E-02 ppm1 7.641 ppm2 4.235 CV 1
ASSI { 362}
(( segid "PAH2" and resid 351 and name HB1 ))
(( segid "PAH2" and resid 353 and name HN ))
3.600 1.700 1.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.13341E-02 ppm1 7.641 ppm2 2.302 CV 1
ASSI { 363}
(( segid "PAH2" and resid 338 and name HB1 ))
(( segid "PAH2" and resid 353 and name HN ))
3.500 1.500 1.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.10274E-02 ppm1 7.638 ppm2 2.136 CV 1
OR { 363}
(( segid "PAH2" and resid 338 and name HB2 ))
(( segid "PAH2" and resid 353 and name HN ))
ASSI { 364}
(( segid "PAH2" and resid 351 and name HB2 ))
(( segid "PAH2" and resid 353 and name HN ))
3.000 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.15585E-02 ppm1 7.638 ppm2 1.850 CV 1
ASSI { 365}
(( segid "PAH2" and resid 353 and name HB1 ))
(( segid "PAH2" and resid 353 and name HN ))
2.700 0.900 0.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.43016E-02 ppm1 7.640 ppm2 1.641 CV 1
ASSI { 366}
(( segid "PAH2" and resid 353 and name HB2 ))
(( segid "PAH2" and resid 353 and name HN ))
2.700 0.900 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.34787E-02 ppm1 7.640 ppm2 1.530 CV 1
ASSI { 367}
( segid "PAH2" and resid 352 and name HB% )
(( segid "PAH2" and resid 353 and name HN ))
3.200 1.300 1.300 peak 367 spectrum 1 weight 0.10000E+01 volume 0.26433E-02 ppm1 7.640 ppm2 1.350 CV 1
ASSI { 368}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 353 and name HN ))
4.200 2.200 1.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.84534E-03 ppm1 7.638 ppm2 0.910 CV 1
OR { 368}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 353 and name HN ))
ASSI { 369}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 354 and name HN ))
3.600 1.600 1.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.15087E-02 ppm1 8.084 ppm2 0.909 CV 1
OR { 369}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 354 and name HN ))
ASSI { 370}
(( segid "PAH2" and resid 353 and name HG ))
(( segid "PAH2" and resid 354 and name HN ))
3.800 1.800 1.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.72569E-03 ppm1 8.089 ppm2 1.640 CV 1
OR { 370}
(( segid "PAH2" and resid 353 and name HB1 ))
(( segid "PAH2" and resid 354 and name HN ))
ASSI { 371}
(( segid "PAH2" and resid 357 and name HB2 ))
(( segid "PAH2" and resid 354 and name HN ))
3.300 1.400 1.400 peak 371 spectrum 1 weight 0.10000E+01 volume 0.10361E-02 ppm1 8.089 ppm2 2.069 CV 1
ASSI { 372}
(( segid "PAH2" and resid 357 and name HB1 ))
(( segid "PAH2" and resid 354 and name HN ))
2.900 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.30548E-02 ppm1 8.089 ppm2 2.305 CV 1
ASSI { 373}
(( segid "PAH2" and resid 353 and name HA ))
(( segid "PAH2" and resid 354 and name HN ))
2.300 0.700 0.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.79549E-02 ppm1 8.087 ppm2 4.661 CV 1
ASSI { 375}
( segid "PAH2" and resid 354 and name HG2%)
(( segid "PAH2" and resid 355 and name HN ))
3.800 1.800 1.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.59974E-03 ppm1 9.294 ppm2 1.316 CV 1
ASSI { 376}
(( segid "PAH2" and resid 355 and name HB2 ))
(( segid "PAH2" and resid 355 and name HN ))
4.000 2.000 2.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.32667E-03 ppm1 9.296 ppm2 1.777 CV 1
ASSI { 377}
(( segid "PAH2" and resid 355 and name HB1 ))
(( segid "PAH2" and resid 355 and name HN ))
3.000 1.100 1.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.22693E-02 ppm1 9.292 ppm2 2.012 CV 1
ASSI { 378}
(( segid "PAH2" and resid 355 and name HG1 ))
(( segid "PAH2" and resid 355 and name HN ))
3.500 1.500 1.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 9.290 ppm2 2.223 CV 1
ASSI { 379}
(( segid "PAH2" and resid 355 and name HA ))
(( segid "PAH2" and resid 355 and name HN ))
3.500 1.500 1.500 peak 379 spectrum 1 weight 0.10000E+01 volume 0.79925E-03 ppm1 9.292 ppm2 3.579 CV 1
ASSI { 380}
(( segid "PAH2" and resid 354 and name HA ))
(( segid "PAH2" and resid 355 and name HN ))
2.400 0.700 0.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.63340E-02 ppm1 9.292 ppm2 4.733 CV 1
OR { 380}
(( segid "PAH2" and resid 354 and name HB ))
(( segid "PAH2" and resid 355 and name HN ))
ASSI { 383}
(( segid "PAH2" and resid 356 and name HA ))
(( segid "PAH2" and resid 356 and name HN ))
2.800 1.000 1.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.31421E-02 ppm1 8.330 ppm2 4.066 CV 1
ASSI { 384}
(( segid "PAH2" and resid 355 and name HA ))
(( segid "PAH2" and resid 356 and name HN ))
4.000 2.000 2.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.42767E-03 ppm1 8.327 ppm2 3.575 CV 1
ASSI { 385}
(( segid "PAH2" and resid 356 and name HG2 ))
(( segid "PAH2" and resid 356 and name HN ))
3.700 1.700 1.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.29176E-02 ppm1 8.328 ppm2 2.476 CV 1
OR { 385}
(( segid "PAH2" and resid 356 and name HG1 ))
(( segid "PAH2" and resid 356 and name HN ))
ASSI { 386}
(( segid "PAH2" and resid 356 and name HB2 ))
(( segid "PAH2" and resid 356 and name HN ))
2.300 0.600 0.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.10748E-01 ppm1 8.328 ppm2 2.088 CV 1
ASSI { 387}
(( segid "PAH2" and resid 355 and name HB2 ))
(( segid "PAH2" and resid 356 and name HN ))
4.000 2.000 2.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.53864E-03 ppm1 8.329 ppm2 1.774 CV 1
ASSI { 389}
(( segid "PAH2" and resid 358 and name HN ))
(( segid "PAH2" and resid 357 and name HN ))
2.300 0.600 0.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.80174E-02 ppm1 7.700 ppm2 8.176 CV 1
ASSI { 391}
(( segid "PAH2" and resid 357 and name HB1 ))
(( segid "PAH2" and resid 357 and name HN ))
2.600 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.71696E-02 ppm1 7.699 ppm2 2.321 CV 1
OR { 391}
(( segid "PAH2" and resid 357 and name HG2 ))
(( segid "PAH2" and resid 357 and name HN ))
ASSI { 393}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 357 and name HN ))
4.200 2.200 1.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.82793E-03 ppm1 7.696 ppm2 0.917 CV 1
OR { 393}
( segid "PAH2" and resid 353 and name HD1%)
(( segid "PAH2" and resid 357 and name HN ))
ASSI { 394}
(( segid "PAH2" and resid 358 and name HA ))
(( segid "PAH2" and resid 358 and name HN ))
3.200 1.300 1.300 peak 394 spectrum 1 weight 0.10000E+01 volume 0.12144E-02 ppm1 8.174 ppm2 3.391 CV 1
ASSI { 395}
(( segid "PAH2" and resid 355 and name HA ))
(( segid "PAH2" and resid 358 and name HN ))
3.400 1.500 1.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 8.174 ppm2 3.577 CV 1
ASSI { 396}
(( segid "PAH2" and resid 357 and name HA ))
(( segid "PAH2" and resid 358 and name HN ))
4.300 2.300 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.29176E-03 ppm1 8.172 ppm2 4.214 CV 1
ASSI { 399}
(( segid "PAH2" and resid 358 and name HB ))
(( segid "PAH2" and resid 358 and name HN ))
2.100 0.500 0.500 peak 399 spectrum 1 weight 0.10000E+01 volume 0.12718E-01 ppm1 8.172 ppm2 2.205 CV 1
ASSI { 402}
(( segid "PAH2" and resid 359 and name HB1 ))
(( segid "PAH2" and resid 359 and name HN ))
2.900 1.100 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.22194E-02 ppm1 8.181 ppm2 3.241 CV 1
ASSI { 403}
(( segid "PAH2" and resid 359 and name HB2 ))
(( segid "PAH2" and resid 359 and name HN ))
2.700 0.900 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.27430E-02 ppm1 8.180 ppm2 2.960 CV 1
ASSI { 404}
(( segid "PAH2" and resid 358 and name HB ))
(( segid "PAH2" and resid 359 and name HN ))
2.400 0.700 0.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.55485E-02 ppm1 8.181 ppm2 2.208 CV 1
ASSI { 405}
(( segid "PAH2" and resid 330 and name HB2 ))
(( segid "PAH2" and resid 330 and name HN ))
2.400 0.700 0.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.68325E-02 ppm1 8.181 ppm2 2.080 CV 1
OR { 405}
(( segid "PAH2" and resid 330 and name HB1 ))
(( segid "PAH2" and resid 330 and name HN ))
ASSI { 406}
( segid "PAH2" and resid 358 and name HG2%)
(( segid "PAH2" and resid 359 and name HN ))
4.200 2.200 1.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.86778E-03 ppm1 8.178 ppm2 0.782 CV 1
ASSI { 407}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 359 and name HN ))
3.400 1.400 1.400 peak 407 spectrum 1 weight 0.10000E+01 volume 0.40398E-03 ppm1 8.181 ppm2 0.479 CV 1
OR { 407}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 359 and name HN ))
ASSI { 408}
( segid "PAH2" and resid 360 and name HB% )
(( segid "PAH2" and resid 360 and name HN ))
2.300 0.700 0.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.87905E-02 ppm1 8.007 ppm2 1.538 CV 1
ASSI { 410}
(( segid "PAH2" and resid 359 and name HB2 ))
(( segid "PAH2" and resid 360 and name HN ))
4.100 2.100 1.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.12045E-02 ppm1 8.005 ppm2 2.967 CV 1
ASSI { 411}
(( segid "PAH2" and resid 359 and name HB1 ))
(( segid "PAH2" and resid 360 and name HN ))
2.800 1.000 1.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.20573E-02 ppm1 8.008 ppm2 3.235 CV 1
ASSI { 412}
(( segid "PAH2" and resid 357 and name HA ))
(( segid "PAH2" and resid 360 and name HN ))
3.100 1.200 1.200 peak 412 spectrum 1 weight 0.10000E+01 volume 0.18204E-02 ppm1 8.005 ppm2 4.204 CV 1
ASSI { 413}
(( segid "PAH2" and resid 359 and name HA ))
(( segid "PAH2" and resid 360 and name HN ))
4.200 2.200 1.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.33416E-03 ppm1 8.006 ppm2 3.843 CV 1
ASSI { 414}
(( segid "PAH2" and resid 363 and name HN ))
(( segid "PAH2" and resid 361 and name HN ))
4.400 2.400 1.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.33166E-03 ppm1 8.090 ppm2 8.704 CV 1
ASSI { 418}
(( segid "PAH2" and resid 361 and name HG2 ))
(( segid "PAH2" and resid 361 and name HN ))
3.100 1.200 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.21944E-02 ppm1 8.091 ppm2 2.315 CV 1
ASSI { 419}
(( segid "PAH2" and resid 361 and name HB2 ))
(( segid "PAH2" and resid 361 and name HN ))
2.300 0.600 0.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.59847E-02 ppm1 8.089 ppm2 2.057 CV 1
ASSI { 420}
( segid "PAH2" and resid 360 and name HB% )
(( segid "PAH2" and resid 361 and name HN ))
2.800 1.000 1.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.27430E-02 ppm1 8.090 ppm2 1.539 CV 1
ASSI { 424}
(( segid "PAH2" and resid 361 and name HA ))
(( segid "PAH2" and resid 362 and name HN ))
4.300 2.300 1.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.33789E-03 ppm1 8.344 ppm2 3.933 CV 1
ASSI { 425}
(( segid "PAH2" and resid 363 and name HN ))
(( segid "PAH2" and resid 362 and name HN ))
2.800 1.000 1.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.22194E-02 ppm1 8.351 ppm2 8.713 CV 1
ASSI { 426}
(( segid "PAH2" and resid 361 and name HN ))
(( segid "PAH2" and resid 362 and name HN ))
2.900 1.100 1.100 peak 426 spectrum 1 weight 0.10000E+01 volume 0.18703E-02 ppm1 8.349 ppm2 8.092 CV 1
ASSI { 427}
(( segid "PAH2" and resid 361 and name HB2 ))
(( segid "PAH2" and resid 362 and name HN ))
3.000 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.11845E-02 ppm1 8.346 ppm2 2.060 CV 1
ASSI { 428}
(( segid "PAH2" and resid 362 and name HB ))
(( segid "PAH2" and resid 362 and name HN ))
2.600 0.800 0.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.36159E-02 ppm1 8.349 ppm2 1.377 CV 1
ASSI { 430}
( segid "PAH2" and resid 362 and name HG1%)
(( segid "PAH2" and resid 362 and name HN ))
3.100 1.200 1.200 peak 430 spectrum 1 weight 0.10000E+01 volume 0.25560E-02 ppm1 8.352 ppm2 0.494 CV 1
ASSI { 431}
( segid "PAH2" and resid 362 and name HG2%)
(( segid "PAH2" and resid 362 and name HN ))
4.000 2.000 2.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.48004E-03 ppm1 8.350 ppm2 -0.400 CV 1
ASSI { 433}
( segid "PAH2" and resid 362 and name HG1%)
(( segid "PAH2" and resid 363 and name HN ))
4.100 2.100 1.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.36533E-03 ppm1 8.709 ppm2 0.497 CV 1
ASSI { 435}
( segid "PAH2" and resid 363 and name HB% )
(( segid "PAH2" and resid 363 and name HN ))
2.400 0.700 0.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.67954E-02 ppm1 8.709 ppm2 1.194 CV 1
ASSI { 436}
(( segid "PAH2" and resid 362 and name HB ))
(( segid "PAH2" and resid 363 and name HN ))
2.900 1.100 1.100 peak 436 spectrum 1 weight 0.10000E+01 volume 0.25062E-02 ppm1 8.711 ppm2 1.345 CV 1
ASSI { 440}
(( segid "PAH2" and resid 364 and name HN ))
(( segid "PAH2" and resid 363 and name HN ))
2.800 1.000 1.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.23690E-02 ppm1 8.708 ppm2 7.109 CV 1
ASSI { 443}
(( segid "PAH2" and resid 362 and name HN ))
(( segid "PAH2" and resid 364 and name HN ))
4.300 2.300 1.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.48004E-03 ppm1 7.107 ppm2 8.328 CV 1
ASSI { 444}
(( segid "PAH2" and resid 365 and name HN ))
(( segid "PAH2" and resid 364 and name HN ))
2.600 0.800 0.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.40522E-02 ppm1 7.109 ppm2 7.426 CV 1
ASSI { 445}
(( segid "PAH2" and resid 363 and name HA ))
(( segid "PAH2" and resid 364 and name HN ))
4.100 2.100 1.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.44388E-03 ppm1 7.114 ppm2 3.763 CV 1
ASSI { 446}
(( segid "PAH2" and resid 362 and name HA ))
(( segid "PAH2" and resid 364 and name HN ))
4.800 2.800 1.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.18952E-03 ppm1 7.105 ppm2 2.910 CV 1
ASSI { 447}
(( segid "PAH2" and resid 364 and name HB1 ))
(( segid "PAH2" and resid 364 and name HN ))
2.300 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.10773E-01 ppm1 7.108 ppm2 1.823 CV 1
OR { 447}
(( segid "PAH2" and resid 364 and name HB2 ))
(( segid "PAH2" and resid 364 and name HN ))
ASSI { 448}
(( segid "PAH2" and resid 364 and name HG2 ))
(( segid "PAH2" and resid 364 and name HN ))
3.100 1.200 1.200 peak 448 spectrum 1 weight 0.10000E+01 volume 0.16583E-02 ppm1 7.112 ppm2 1.558 CV 1
ASSI { 449}
( segid "PAH2" and resid 363 and name HB% )
(( segid "PAH2" and resid 364 and name HN ))
2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.32169E-02 ppm1 7.108 ppm2 1.192 CV 1
ASSI { 450}
( segid "PAH2" and resid 365 and name HD2%)
(( segid "PAH2" and resid 365 and name HN ))
3.900 1.900 1.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.14838E-02 ppm1 7.424 ppm2 0.742 CV 1
ASSI { 451}
(( segid "PAH2" and resid 365 and name HB2 ))
(( segid "PAH2" and resid 365 and name HN ))
2.500 0.800 0.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.33291E-02 ppm1 7.425 ppm2 1.282 CV 1
ASSI { 452}
(( segid "PAH2" and resid 365 and name HB1 ))
(( segid "PAH2" and resid 365 and name HN ))
2.800 1.000 1.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.43764E-02 ppm1 7.425 ppm2 1.459 CV 1
ASSI { 453}
(( segid "PAH2" and resid 364 and name HG2 ))
(( segid "PAH2" and resid 365 and name HN ))
2.600 2.600 3.400 peak 453 spectrum 1 weight 0.10000E+01 volume 0.45385E-02 ppm1 7.425 ppm2 1.570 CV 1
ASSI { 454}
(( segid "PAH2" and resid 364 and name HB1 ))
(( segid "PAH2" and resid 365 and name HN ))
2.900 1.000 1.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.35535E-02 ppm1 7.425 ppm2 1.824 CV 1
OR { 454}
(( segid "PAH2" and resid 364 and name HG1 ))
(( segid "PAH2" and resid 365 and name HN ))
OR { 454}
(( segid "PAH2" and resid 364 and name HB2 ))
(( segid "PAH2" and resid 365 and name HN ))
ASSI { 455}
(( segid "PAH2" and resid 362 and name HA ))
(( segid "PAH2" and resid 365 and name HN ))
3.500 1.500 1.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.85407E-03 ppm1 7.425 ppm2 2.907 CV 1
ASSI { 457}
(( segid "PAH2" and resid 366 and name HN ))
(( segid "PAH2" and resid 365 and name HN ))
2.900 1.100 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.23067E-02 ppm1 7.424 ppm2 8.297 CV 1
ASSI { 460}
(( segid "PAH2" and resid 365 and name HA ))
(( segid "PAH2" and resid 366 and name HN ))
3.700 1.700 1.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.79925E-03 ppm1 8.291 ppm2 4.011 CV 1
ASSI { 461}
(( segid "PAH2" and resid 366 and name HB1 ))
(( segid "PAH2" and resid 366 and name HN ))
3.600 1.700 1.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.19201E-02 ppm1 8.291 ppm2 3.753 CV 1
ASSI { 462}
(( segid "PAH2" and resid 366 and name HB2 ))
(( segid "PAH2" and resid 366 and name HN ))
2.700 0.900 0.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.25311E-02 ppm1 8.290 ppm2 2.890 CV 1
ASSI { 463}
(( segid "PAH2" and resid 364 and name HB1 ))
(( segid "PAH2" and resid 366 and name HN ))
4.700 2.700 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.31296E-03 ppm1 8.294 ppm2 1.847 CV 1
OR { 463}
(( segid "PAH2" and resid 364 and name HB2 ))
(( segid "PAH2" and resid 366 and name HN ))
ASSI { 464}
(( segid "PAH2" and resid 365 and name HB1 ))
(( segid "PAH2" and resid 366 and name HN ))
2.900 1.000 1.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.15461E-02 ppm1 8.290 ppm2 1.457 CV 1
ASSI { 465}
(( segid "PAH2" and resid 365 and name HB2 ))
(( segid "PAH2" and resid 366 and name HN ))
3.600 1.600 1.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.11085E-02 ppm1 8.291 ppm2 1.286 CV 1
ASSI { 466}
( segid "PAH2" and resid 365 and name HD1%)
(( segid "PAH2" and resid 366 and name HN ))
5.000 3.100 1.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.35909E-03 ppm1 8.295 ppm2 0.787 CV 1
ASSI { 467}
(( segid "PAH2" and resid 367 and name HG2 ))
(( segid "PAH2" and resid 367 and name HN ))
3.500 1.500 1.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.22568E-02 ppm1 7.027 ppm2 1.462 CV 1
OR { 467}
(( segid "PAH2" and resid 367 and name HG1 ))
(( segid "PAH2" and resid 367 and name HN ))
ASSI { 468}
(( segid "PAH2" and resid 367 and name HB2 ))
(( segid "PAH2" and resid 367 and name HN ))
2.400 0.700 0.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.57230E-02 ppm1 7.025 ppm2 1.874 CV 1
ASSI { 469}
(( segid "PAH2" and resid 367 and name HB1 ))
(( segid "PAH2" and resid 367 and name HN ))
2.700 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.55734E-02 ppm1 7.026 ppm2 2.014 CV 1
ASSI { 471}
(( segid "PAH2" and resid 367 and name HA ))
(( segid "PAH2" and resid 367 and name HN ))
2.700 0.900 0.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.43515E-02 ppm1 7.026 ppm2 4.021 CV 1
ASSI { 472}
(( segid "PAH2" and resid 366 and name HN ))
(( segid "PAH2" and resid 367 and name HN ))
3.400 1.400 1.400 peak 472 spectrum 1 weight 0.10000E+01 volume 0.21072E-02 ppm1 7.026 ppm2 8.292 CV 1
ASSI { 474}
(( segid "PAH2" and resid 368 and name HN ))
(( segid "PAH2" and resid 367 and name HN ))
3.600 1.600 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.75686E-03 ppm1 7.024 ppm2 8.894 CV 1
ASSI { 476}
(( segid "PAH2" and resid 367 and name HA ))
(( segid "PAH2" and resid 368 and name HN ))
3.300 1.400 1.400 peak 476 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 8.897 ppm2 4.026 CV 1
ASSI { 478}
(( segid "PAH2" and resid 368 and name HN ))
(( segid "PAH2" and resid 369 and name HN ))
2.800 0.900 0.900 peak 478 spectrum 1 weight 0.10000E+01 volume 0.36782E-02 ppm1 8.085 ppm2 8.899 CV 1
ASSI { 479}
(( segid "PAH2" and resid 370 and name HN ))
(( segid "PAH2" and resid 369 and name HN ))
3.600 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.19451E-02 ppm1 8.087 ppm2 8.754 CV 1
ASSI { 481}
(( segid "PAH2" and resid 368 and name HB2 ))
(( segid "PAH2" and resid 369 and name HN ))
4.300 2.300 1.700 peak 481 spectrum 1 weight 0.10000E+01 volume 0.31919E-03 ppm1 8.084 ppm2 2.949 CV 1
ASSI { 482}
(( segid "PAH2" and resid 369 and name HG1 ))
(( segid "PAH2" and resid 369 and name HN ))
3.400 1.400 1.400 peak 482 spectrum 1 weight 0.10000E+01 volume 0.15211E-02 ppm1 8.085 ppm2 2.412 CV 1
ASSI { 483}
(( segid "PAH2" and resid 369 and name HG2 ))
(( segid "PAH2" and resid 369 and name HN ))
3.800 1.800 1.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.84534E-03 ppm1 8.086 ppm2 2.264 CV 1
ASSI { 484}
(( segid "PAH2" and resid 369 and name HB1 ))
(( segid "PAH2" and resid 369 and name HN ))
3.100 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.40647E-02 ppm1 8.084 ppm2 1.843 CV 1
ASSI { 485}
(( segid "PAH2" and resid 369 and name HB2 ))
(( segid "PAH2" and resid 370 and name HN ))
5.100 3.200 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.34787E-03 ppm1 8.746 ppm2 1.817 CV 1
ASSI { 486}
(( segid "PAH2" and resid 370 and name HB1 ))
(( segid "PAH2" and resid 370 and name HN ))
2.400 0.700 0.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.76930E-02 ppm1 8.751 ppm2 2.104 CV 1
OR { 486}
(( segid "PAH2" and resid 370 and name HB2 ))
(( segid "PAH2" and resid 370 and name HN ))
ASSI { 487}
(( segid "PAH2" and resid 370 and name HG2 ))
(( segid "PAH2" and resid 370 and name HN ))
3.000 1.100 1.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.25560E-02 ppm1 8.751 ppm2 2.397 CV 1
OR { 487}
(( segid "PAH2" and resid 370 and name HG1 ))
(( segid "PAH2" and resid 370 and name HN ))
ASSI { 488}
(( segid "PAH2" and resid 369 and name HA ))
(( segid "PAH2" and resid 370 and name HN ))
2.400 0.700 0.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.56482E-02 ppm1 8.748 ppm2 4.799 CV 1
ASSI { 490}
(( segid "PAH2" and resid 371 and name HN ))
(( segid "PAH2" and resid 370 and name HN ))
2.600 0.800 0.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.40896E-02 ppm1 8.748 ppm2 8.963 CV 1
ASSI { 492}
(( segid "PAH2" and resid 372 and name HN ))
(( segid "PAH2" and resid 371 and name HN ))
2.700 0.900 0.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.29176E-02 ppm1 8.967 ppm2 7.740 CV 1
ASSI { 493}
(( segid "PAH2" and resid 369 and name HA ))
(( segid "PAH2" and resid 371 and name HN ))
4.100 2.100 1.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.68452E-03 ppm1 8.968 ppm2 4.790 CV 1
ASSI { 494}
(( segid "PAH2" and resid 371 and name HA ))
(( segid "PAH2" and resid 371 and name HN ))
2.900 1.100 1.100 peak 494 spectrum 1 weight 0.10000E+01 volume 0.26683E-02 ppm1 8.967 ppm2 4.398 CV 1
ASSI { 495}
(( segid "PAH2" and resid 371 and name HB1 ))
(( segid "PAH2" and resid 371 and name HN ))
3.000 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.28428E-02 ppm1 8.966 ppm2 2.879 CV 1
ASSI { 496}
(( segid "PAH2" and resid 371 and name HB2 ))
(( segid "PAH2" and resid 371 and name HN ))
3.100 1.200 1.200 peak 496 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 8.967 ppm2 2.674 CV 1
ASSI { 497}
(( segid "PAH2" and resid 370 and name HG1 ))
(( segid "PAH2" and resid 371 and name HN ))
4.300 2.300 1.700 peak 497 spectrum 1 weight 0.10000E+01 volume 0.40273E-03 ppm1 8.968 ppm2 2.397 CV 1
OR { 497}
(( segid "PAH2" and resid 370 and name HG2 ))
(( segid "PAH2" and resid 371 and name HN ))
ASSI { 498}
(( segid "PAH2" and resid 370 and name HB1 ))
(( segid "PAH2" and resid 371 and name HN ))
3.100 1.200 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.24313E-02 ppm1 8.966 ppm2 2.105 CV 1
OR { 498}
(( segid "PAH2" and resid 370 and name HB2 ))
(( segid "PAH2" and resid 371 and name HN ))
ASSI { 501}
(( segid "PAH2" and resid 373 and name HN ))
(( segid "PAH2" and resid 372 and name HN ))
2.200 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.10511E-01 ppm1 7.743 ppm2 8.188 CV 1
ASSI { 502}
( segid "PAH2" and resid 372 and name HD1%)
(( segid "PAH2" and resid 372 and name HN ))
4.400 2.500 1.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.91890E-03 ppm1 7.740 ppm2 0.517 CV 1
ASSI { 503}
(( segid "PAH2" and resid 372 and name HB2 ))
(( segid "PAH2" and resid 372 and name HN ))
3.100 1.200 1.200 peak 503 spectrum 1 weight 0.10000E+01 volume 0.10211E-02 ppm1 7.743 ppm2 0.954 CV 1
ASSI { 504}
(( segid "PAH2" and resid 372 and name HG ))
(( segid "PAH2" and resid 372 and name HN ))
3.000 3.000 3.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.93266E-02 ppm1 7.743 ppm2 1.561 CV 1
ASSI { 506}
(( segid "PAH2" and resid 369 and name HB2 ))
(( segid "PAH2" and resid 372 and name HN ))
3.400 1.400 1.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.19700E-02 ppm1 7.738 ppm2 1.787 CV 1
ASSI { 508}
(( segid "PAH2" and resid 317 and name HG1 ))
(( segid "PAH2" and resid 317 and name HN ))
3.200 1.200 1.200 peak 508 spectrum 1 weight 0.10000E+01 volume 0.27680E-02 ppm1 8.168 ppm2 0.919 CV 1
ASSI { 510}
(( segid "PAH2" and resid 373 and name HB2 ))
(( segid "PAH2" and resid 373 and name HN ))
2.300 0.700 0.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.48752E-02 ppm1 8.184 ppm2 1.694 CV 1
ASSI { 511}
(( segid "PAH2" and resid 373 and name HB1 ))
(( segid "PAH2" and resid 373 and name HN ))
3.200 1.300 1.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.27805E-02 ppm1 8.181 ppm2 2.126 CV 1
ASSI { 517}
(( segid "PAH2" and resid 373 and name HN ))
(( segid "PAH2" and resid 374 and name HN ))
2.900 1.000 1.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.19326E-02 ppm1 8.627 ppm2 8.181 CV 1
ASSI { 518}
(( segid "PAH2" and resid 375 and name HN ))
(( segid "PAH2" and resid 374 and name HN ))
3.000 1.100 1.100 peak 518 spectrum 1 weight 0.10000E+01 volume 0.17331E-02 ppm1 8.624 ppm2 7.868 CV 1
ASSI { 519}
(( segid "PAH2" and resid 374 and name HA ))
(( segid "PAH2" and resid 374 and name HN ))
2.700 0.900 0.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.44637E-02 ppm1 8.626 ppm2 4.330 CV 1
ASSI { 522}
(( segid "PAH2" and resid 373 and name HB2 ))
(( segid "PAH2" and resid 374 and name HN ))
3.600 1.600 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.75183E-03 ppm1 8.625 ppm2 1.698 CV 1
ASSI { 523}
(( segid "PAH2" and resid 340 and name HA ))
(( segid "PAH2" and resid 340 and name HN ))
2.400 0.700 0.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.68949E-02 ppm1 7.936 ppm2 4.031 CV 1
ASSI { 525}
(( segid "PAH2" and resid 376 and name HA ))
(( segid "PAH2" and resid 376 and name HN ))
2.700 0.900 0.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.29550E-02 ppm1 7.941 ppm2 4.211 CV 1
ASSI { 527}
(( segid "PAH2" and resid 339 and name HB1 ))
(( segid "PAH2" and resid 340 and name HN ))
2.500 0.800 0.800 peak 527 spectrum 1 weight 0.10000E+01 volume 0.39276E-02 ppm1 7.941 ppm2 1.992 CV 1
OR { 527}
(( segid "PAH2" and resid 339 and name HG2 ))
(( segid "PAH2" and resid 340 and name HN ))
ASSI { 528}
(( segid "PAH2" and resid 377 and name HA2 ))
(( segid "PAH2" and resid 377 and name HN ))
3.200 1.200 1.200 peak 528 spectrum 1 weight 0.10000E+01 volume 0.26558E-02 ppm1 7.826 ppm2 3.868 CV 1
ASSI { 529}
(( segid "PAH2" and resid 376 and name HB2 ))
(( segid "PAH2" and resid 377 and name HN ))
4.600 2.600 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.51744E-03 ppm1 7.828 ppm2 3.374 CV 1
ASSI { 531}
(( segid "PAH2" and resid 378 and name HG2 ))
(( segid "PAH2" and resid 378 and name HN ))
2.600 0.800 0.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.41146E-02 ppm1 7.494 ppm2 2.152 CV 1
ASSI { 532}
(( segid "PAH2" and resid 378 and name HA ))
(( segid "PAH2" and resid 378 and name HN ))
2.600 0.800 0.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.48876E-02 ppm1 7.493 ppm2 3.991 CV 1
ASSI { 533}
(( segid "PAH2" and resid 376 and name HA ))
(( segid "PAH2" and resid 378 and name HN ))
3.500 1.500 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.86656E-03 ppm1 7.492 ppm2 4.246 CV 1
ASSI { 535}
(( segid "PAH2" and resid 379 and name HN ))
(( segid "PAH2" and resid 378 and name HN ))
2.400 0.800 0.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.47131E-02 ppm1 7.492 ppm2 7.715 CV 1
ASSI { 536}
(( segid "PAH2" and resid 377 and name HN ))
(( segid "PAH2" and resid 378 and name HN ))
2.600 0.900 0.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.38278E-02 ppm1 7.491 ppm2 7.828 CV 1
ASSI { 538}
(( segid "PAH2" and resid 380 and name HN ))
(( segid "PAH2" and resid 379 and name HN ))
2.400 0.700 0.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.49749E-02 ppm1 7.706 ppm2 7.106 CV 1
ASSI { 539}
(( segid "PAH2" and resid 379 and name HA ))
(( segid "PAH2" and resid 379 and name HN ))
3.400 1.500 1.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.94758E-03 ppm1 7.709 ppm2 4.292 CV 1
ASSI { 540}
(( segid "PAH2" and resid 379 and name HB1 ))
(( segid "PAH2" and resid 379 and name HN ))
4.900 2.900 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.49500E-03 ppm1 7.710 ppm2 2.975 CV 1
ASSI { 541}
(( segid "PAH2" and resid 378 and name HB2 ))
(( segid "PAH2" and resid 379 and name HN ))
3.700 1.700 1.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.68828E-03 ppm1 7.708 ppm2 1.736 CV 1
ASSI { 542}
(( segid "PAH2" and resid 378 and name HA ))
(( segid "PAH2" and resid 379 and name HN ))
4.200 2.200 1.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.29176E-03 ppm1 7.704 ppm2 3.968 CV 1
ASSI { 543}
(( segid "PAH2" and resid 380 and name HA ))
(( segid "PAH2" and resid 380 and name HN ))
3.500 1.500 1.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.85783E-03 ppm1 7.106 ppm2 4.488 CV 1
ASSI { 544}
(( segid "PAH2" and resid 379 and name HA ))
(( segid "PAH2" and resid 380 and name HN ))
4.500 2.600 1.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.20947E-03 ppm1 7.106 ppm2 4.294 CV 1
ASSI { 545}
(( segid "PAH2" and resid 378 and name HN ))
(( segid "PAH2" and resid 380 and name HN ))
4.300 2.300 1.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.60969E-03 ppm1 7.100 ppm2 7.496 CV 1
ASSI { 546}
(( segid "PAH2" and resid 379 and name HB1 ))
(( segid "PAH2" and resid 380 and name HN ))
5.000 3.100 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.24438E-03 ppm1 7.098 ppm2 2.980 CV 1
ASSI { 548}
(( segid "PAH2" and resid 380 and name HB1 ))
(( segid "PAH2" and resid 380 and name HN ))
3.500 1.500 1.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 7.106 ppm2 1.445 CV 1
ASSI { 549}
(( segid "PAH2" and resid 380 and name HG ))
(( segid "PAH2" and resid 380 and name HN ))
3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.51370E-03 ppm1 7.100 ppm2 1.239 CV 1
ASSI { 550}
(( segid "PAH2" and resid 380 and name HB2 ))
(( segid "PAH2" and resid 380 and name HN ))
3.300 1.400 1.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.12094E-02 ppm1 7.110 ppm2 0.997 CV 1
ASSI { 551}
( segid "PAH2" and resid 380 and name HD1%)
(( segid "PAH2" and resid 380 and name HN ))
4.300 2.300 1.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.43889E-03 ppm1 7.104 ppm2 0.478 CV 1
OR { 551}
( segid "PAH2" and resid 380 and name HD2%)
(( segid "PAH2" and resid 380 and name HN ))
ASSI { 553}
(( segid "PAH2" and resid 381 and name HB2 ))
(( segid "PAH2" and resid 382 and name HN ))
2.900 1.100 1.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.22069E-02 ppm1 8.377 ppm2 1.862 CV 1
ASSI { 554}
(( segid "PAH2" and resid 381 and name HB1 ))
(( segid "PAH2" and resid 382 and name HN ))
3.300 1.400 1.400 peak 554 spectrum 1 weight 0.10000E+01 volume 0.15087E-02 ppm1 8.375 ppm2 2.203 CV 1
ASSI { 555}
(( segid "PAH2" and resid 382 and name HB2 ))
(( segid "PAH2" and resid 382 and name HN ))
2.800 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.35784E-02 ppm1 8.377 ppm2 2.428 CV 1
ASSI { 556}
(( segid "PAH2" and resid 381 and name HD1 ))
(( segid "PAH2" and resid 382 and name HN ))
3.400 3.400 2.600 peak 556 spectrum 1 weight 0.10000E+01 volume 0.39151E-03 ppm1 8.380 ppm2 3.512 CV 1
ASSI { 557}
(( segid "PAH2" and resid 381 and name HA ))
(( segid "PAH2" and resid 382 and name HN ))
2.200 0.600 0.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.98748E-02 ppm1 8.378 ppm2 4.419 CV 1
ASSI { 563}
(( segid "PAH2" and resid 382 and name HA ))
(( segid "PAH2" and resid 383 and name HN ))
2.700 0.900 0.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.61969E-02 ppm1 7.961 ppm2 4.335 CV 1
ASSI { 564}
(( segid "PAH2" and resid 383 and name HA ))
(( segid "PAH2" and resid 383 and name HN ))
2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.39525E-02 ppm1 7.961 ppm2 4.185 CV 1
ASSI { 566}
(( segid "PAH2" and resid 382 and name HB1 ))
(( segid "PAH2" and resid 383 and name HN ))
3.600 1.600 1.600 peak 566 spectrum 1 weight 0.10000E+01 volume 0.10885E-02 ppm1 7.961 ppm2 2.617 CV 1
ASSI { 567}
(( segid "PAH2" and resid 382 and name HB2 ))
(( segid "PAH2" and resid 383 and name HN ))
3.900 1.900 1.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.69822E-03 ppm1 7.959 ppm2 2.439 CV 1
ASSI { 568}
( segid "PAH2" and resid 383 and name HB% )
(( segid "PAH2" and resid 383 and name HN ))
2.500 0.800 0.800 peak 568 spectrum 1 weight 0.10000E+01 volume 0.76554E-02 ppm1 7.961 ppm2 1.255 CV 1
ASSI { 570}
(( segid "PAH2" and resid 354 and name HB ))
(( segid "PAH2" and resid 356 and name HN ))
2.400 0.700 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.58476E-02 ppm1 8.301 ppm2 4.761 CV 1
ASSI { 572}
(( segid "PAH2" and resid 384 and name HA ))
(( segid "PAH2" and resid 384 and name HN ))
2.600 0.900 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.50746E-02 ppm1 8.307 ppm2 4.666 CV 1
ASSI { 573}
(( segid "PAH2" and resid 382 and name HA ))
(( segid "PAH2" and resid 384 and name HN ))
3.300 1.400 1.400 peak 573 spectrum 1 weight 0.10000E+01 volume 0.18703E-02 ppm1 8.297 ppm2 4.316 CV 1
ASSI { 574}
(( segid "PAH2" and resid 383 and name HA ))
(( segid "PAH2" and resid 384 and name HN ))
2.700 0.900 0.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.47131E-02 ppm1 8.298 ppm2 4.178 CV 1
ASSI { 575}
(( segid "PAH2" and resid 384 and name HB1 ))
(( segid "PAH2" and resid 384 and name HN ))
3.300 1.400 1.400 peak 575 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 8.299 ppm2 2.762 CV 1
ASSI { 576}
(( segid "PAH2" and resid 384 and name HB2 ))
(( segid "PAH2" and resid 384 and name HN ))
2.900 1.000 1.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.34163E-02 ppm1 8.299 ppm2 2.600 CV 1
ASSI { 577}
( segid "PAH2" and resid 383 and name HB% )
(( segid "PAH2" and resid 384 and name HN ))
3.400 1.400 1.400 peak 577 spectrum 1 weight 0.10000E+01 volume 0.20697E-02 ppm1 8.301 ppm2 1.253 CV 1
ASSI { 578}
(( segid "PAH2" and resid 370 and name HN ))
(( segid "PAH2" and resid 372 and name HN ))
3.800 1.800 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.11309E-02 ppm1 7.699 ppm2 8.712 CV 1
ASSI { 581}
(( segid "PAH2" and resid 384 and name HA ))
(( segid "PAH2" and resid 385 and name HN ))
3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.25685E-02 ppm1 7.698 ppm2 4.661 CV 1
ASSI { 582}
(( segid "PAH2" and resid 385 and name HB1 ))
(( segid "PAH2" and resid 385 and name HN ))
3.400 1.400 1.400 peak 582 spectrum 1 weight 0.10000E+01 volume 0.14838E-02 ppm1 7.698 ppm2 3.804 CV 1
OR { 582}
(( segid "PAH2" and resid 385 and name HB2 ))
(( segid "PAH2" and resid 385 and name HN ))
ASSI { 583}
(( segid "PAH2" and resid 384 and name HB1 ))
(( segid "PAH2" and resid 385 and name HN ))
4.800 2.800 1.200 peak 583 spectrum 1 weight 0.10000E+01 volume 0.23067E-03 ppm1 7.698 ppm2 2.756 CV 1
ASSI { 584}
(( segid "PAH2" and resid 384 and name HB2 ))
(( segid "PAH2" and resid 385 and name HN ))
4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.71817E-03 ppm1 7.696 ppm2 2.610 CV 1
ASSI { 585}
(( segid "PAH2" and resid 300 and name HA ))
(( segid "PAH2" and resid 300 and name HN ))
2.400 0.700 0.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.73315E-02 ppm1 8.193 ppm2 4.702 CV 1
ASSI { 586}
(( segid "PAH2" and resid 302 and name HA ))
(( segid "PAH2" and resid 302 and name HN ))
3.100 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 8.236 ppm2 3.889 CV 1
ASSI { 587}
(( segid "PAH2" and resid 303 and name HA ))
(( segid "PAH2" and resid 303 and name HN ))
3.500 1.500 1.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.80422E-03 ppm1 8.976 ppm2 4.414 CV 1
ASSI { 588}
(( segid "PAH2" and resid 304 and name HA ))
(( segid "PAH2" and resid 304 and name HN ))
3.100 1.200 1.200 peak 588 spectrum 1 weight 0.10000E+01 volume 0.16084E-02 ppm1 8.781 ppm2 4.369 CV 1
ASSI { 590}
(( segid "PAH2" and resid 306 and name HB2 ))
(( segid "PAH2" and resid 306 and name HN ))
2.700 0.900 0.900 peak 590 spectrum 1 weight 0.10000E+01 volume 0.24438E-02 ppm1 8.104 ppm2 3.473 CV 1
ASSI { 592}
(( segid "PAH2" and resid 307 and name HA ))
(( segid "PAH2" and resid 307 and name HN ))
3.200 1.300 1.300 peak 592 spectrum 1 weight 0.10000E+01 volume 0.14089E-02 ppm1 8.069 ppm2 3.985 CV 1
ASSI { 595}
(( segid "PAH2" and resid 309 and name HA ))
(( segid "PAH2" and resid 309 and name HN ))
2.900 1.000 1.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.28054E-02 ppm1 8.107 ppm2 4.415 CV 1
ASSI { 598}
(( segid "PAH2" and resid 312 and name HA ))
(( segid "PAH2" and resid 312 and name HN ))
2.700 0.900 0.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.37031E-02 ppm1 8.107 ppm2 4.366 CV 1
ASSI { 599}
(( segid "PAH2" and resid 313 and name HA ))
(( segid "PAH2" and resid 313 and name HN ))
3.000 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.18952E-02 ppm1 7.998 ppm2 3.959 CV 1
ASSI { 600}
(( segid "PAH2" and resid 314 and name HA ))
(( segid "PAH2" and resid 314 and name HN ))
3.500 1.500 1.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.61969E-03 ppm1 7.811 ppm2 3.142 CV 1
ASSI { 601}
(( segid "PAH2" and resid 315 and name HA ))
(( segid "PAH2" and resid 315 and name HN ))
3.000 1.100 1.100 peak 601 spectrum 1 weight 0.10000E+01 volume 0.19451E-02 ppm1 8.045 ppm2 3.091 CV 1
ASSI { 602}
(( segid "PAH2" and resid 316 and name HA ))
(( segid "PAH2" and resid 316 and name HN ))
2.900 1.100 1.100 peak 602 spectrum 1 weight 0.10000E+01 volume 0.25934E-02 ppm1 7.902 ppm2 4.323 CV 1
ASSI { 603}
(( segid "PAH2" and resid 317 and name HA ))
(( segid "PAH2" and resid 317 and name HN ))
3.200 1.300 1.300 peak 603 spectrum 1 weight 0.10000E+01 volume 0.14214E-02 ppm1 8.206 ppm2 3.828 CV 1
ASSI { 605}
(( segid "PAH2" and resid 318 and name HA ))
(( segid "PAH2" and resid 318 and name HN ))
3.600 1.600 1.600 peak 605 spectrum 1 weight 0.10000E+01 volume 0.77803E-03 ppm1 7.334 ppm2 4.884 CV 1
ASSI { 606}
(( segid "PAH2" and resid 319 and name HA ))
(( segid "PAH2" and resid 319 and name HN ))
2.800 1.000 1.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.34663E-02 ppm1 7.207 ppm2 4.049 CV 1
ASSI { 608}
(( segid "PAH2" and resid 321 and name HA ))
(( segid "PAH2" and resid 321 and name HN ))
2.800 1.000 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.27930E-02 ppm1 7.743 ppm2 4.921 CV 1
ASSI { 609}
(( segid "PAH2" and resid 323 and name HA ))
(( segid "PAH2" and resid 323 and name HN ))
2.800 1.000 1.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.35037E-02 ppm1 9.025 ppm2 4.377 CV 1
ASSI { 610}
(( segid "PAH2" and resid 327 and name HA ))
(( segid "PAH2" and resid 327 and name HN ))
2.700 0.900 0.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.38403E-02 ppm1 7.808 ppm2 4.080 CV 1
ASSI { 611}
(( segid "PAH2" and resid 328 and name HB1 ))
(( segid "PAH2" and resid 328 and name HN ))
2.700 0.900 0.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.27056E-02 ppm1 8.017 ppm2 3.376 CV 1
ASSI { 612}
(( segid "PAH2" and resid 331 and name HA ))
(( segid "PAH2" and resid 331 and name HN ))
3.500 1.500 1.500 peak 612 spectrum 1 weight 0.10000E+01 volume 0.73188E-03 ppm1 7.761 ppm2 3.705 CV 1
ASSI { 613}
(( segid "PAH2" and resid 331 and name HB ))
(( segid "PAH2" and resid 332 and name HN ))
3.200 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.11670E-02 ppm1 7.072 ppm2 1.764 CV 1
OR { 613}
(( segid "PAH2" and resid 331 and name HG11))
(( segid "PAH2" and resid 332 and name HN ))
ASSI { 614}
(( segid "PAH2" and resid 332 and name HN ))
(( segid "PAH2" and resid 333 and name HN ))
3.700 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.46757E-03 ppm1 8.890 ppm2 7.099 CV 1
ASSI { 615}
( segid "PAH2" and resid 334 and name HG2%)
(( segid "PAH2" and resid 335 and name HN ))
4.200 2.200 1.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.65335E-03 ppm1 8.150 ppm2 1.246 CV 1
ASSI { 616}
(( segid "PAH2" and resid 336 and name HB1 ))
(( segid "PAH2" and resid 336 and name HN ))
2.800 1.000 1.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.23192E-02 ppm1 8.447 ppm2 2.430 CV 1
ASSI { 617}
(( segid "PAH2" and resid 337 and name HA ))
(( segid "PAH2" and resid 337 and name HN ))
2.900 1.000 1.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.27680E-02 ppm1 8.298 ppm2 3.879 CV 1
ASSI { 618}
(( segid "PAH2" and resid 337 and name HB1 ))
(( segid "PAH2" and resid 338 and name HN ))
2.500 0.800 0.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.52866E-02 ppm1 8.097 ppm2 1.830 CV 1
OR { 618}
(( segid "PAH2" and resid 337 and name HB2 ))
(( segid "PAH2" and resid 338 and name HN ))
ASSI { 620}
(( segid "PAH2" and resid 339 and name HB2 ))
(( segid "PAH2" and resid 339 and name HN ))
1.900 0.500 0.500 peak 620 spectrum 1 weight 0.10000E+01 volume 0.25560E-01 ppm1 8.048 ppm2 1.942 CV 1
OR { 620}
(( segid "PAH2" and resid 339 and name HG2 ))
(( segid "PAH2" and resid 339 and name HN ))
ASSI { 621}
(( segid "PAH2" and resid 338 and name HG2 ))
(( segid "PAH2" and resid 339 and name HN ))
4.100 2.100 1.900 peak 621 spectrum 1 weight 0.10000E+01 volume 0.11296E-02 ppm1 8.045 ppm2 2.393 CV 1
OR { 621}
(( segid "PAH2" and resid 338 and name HG1 ))
(( segid "PAH2" and resid 339 and name HN ))
ASSI { 623}
(( segid "PAH2" and resid 341 and name HA ))
(( segid "PAH2" and resid 341 and name HN ))
2.900 1.000 1.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.26433E-02 ppm1 8.236 ppm2 4.291 CV 1
ASSI { 624}
( segid "PAH2" and resid 342 and name HB% )
(( segid "PAH2" and resid 342 and name HN ))
2.200 0.600 0.600 peak 624 spectrum 1 weight 0.10000E+01 volume 0.12381E-01 ppm1 7.924 ppm2 1.420 CV 1
ASSI { 625}
(( segid "PAH2" and resid 341 and name HN ))
(( segid "PAH2" and resid 343 and name HN ))
3.400 1.500 1.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.16334E-02 ppm1 7.747 ppm2 8.248 CV 1
ASSI { 627}
( segid "PAH2" and resid 345 and name HB% )
(( segid "PAH2" and resid 345 and name HN ))
2.300 0.600 0.600 peak 627 spectrum 1 weight 0.10000E+01 volume 0.11371E-01 ppm1 7.771 ppm2 1.414 CV 1
ASSI { 628}
(( segid "PAH2" and resid 345 and name HN ))
(( segid "PAH2" and resid 346 and name HN ))
2.900 1.100 1.100 peak 628 spectrum 1 weight 0.10000E+01 volume 0.19451E-02 ppm1 8.017 ppm2 7.776 CV 1
ASSI { 630}
(( segid "PAH2" and resid 348 and name HA ))
(( segid "PAH2" and resid 348 and name HN ))
2.400 0.700 0.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.86778E-02 ppm1 8.088 ppm2 4.760 CV 1
ASSI { 631}
( segid "PAH2" and resid 345 and name HB% )
(( segid "PAH2" and resid 349 and name HN ))
3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.18578E-02 ppm1 7.896 ppm2 1.415 CV 1
ASSI { 633}
( segid "PAH2" and resid 352 and name HB% )
(( segid "PAH2" and resid 352 and name HN ))
2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.58974E-02 ppm1 8.845 ppm2 1.352 CV 1
ASSI { 635}
( segid "PAH2" and resid 354 and name HG2%)
(( segid "PAH2" and resid 354 and name HN ))
3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.31046E-02 ppm1 8.089 ppm2 1.310 CV 1
ASSI { 636}
(( segid "PAH2" and resid 355 and name HN ))
(( segid "PAH2" and resid 356 and name HN ))
2.700 0.900 0.900 peak 636 spectrum 1 weight 0.10000E+01 volume 0.27680E-02 ppm1 8.328 ppm2 9.287 CV 1
ASSI { 637}
( segid "PAH2" and resid 353 and name HD2%)
(( segid "PAH2" and resid 358 and name HN ))
2.700 2.700 3.300 peak 637 spectrum 1 weight 0.10000E+01 volume 0.70574E-02 ppm1 8.172 ppm2 0.898 CV 1
ASSI { 638}
(( segid "PAH2" and resid 359 and name HA ))
(( segid "PAH2" and resid 359 and name HN ))
3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.16334E-02 ppm1 8.184 ppm2 3.809 CV 1
ASSI { 639}
(( segid "PAH2" and resid 360 and name HA ))
(( segid "PAH2" and resid 360 and name HN ))
2.900 1.000 1.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.29301E-02 ppm1 8.008 ppm2 4.007 CV 1
ASSI { 640}
(( segid "PAH2" and resid 361 and name HA ))
(( segid "PAH2" and resid 361 and name HN ))
2.900 1.100 1.100 peak 640 spectrum 1 weight 0.10000E+01 volume 0.23441E-02 ppm1 8.090 ppm2 3.941 CV 1
ASSI { 641}
(( segid "PAH2" and resid 362 and name HA ))
(( segid "PAH2" and resid 362 and name HN ))
3.500 1.500 1.500 peak 641 spectrum 1 weight 0.10000E+01 volume 0.76808E-03 ppm1 8.351 ppm2 2.934 CV 1
ASSI { 642}
(( segid "PAH2" and resid 363 and name HA ))
(( segid "PAH2" and resid 363 and name HN ))
3.000 1.100 1.100 peak 642 spectrum 1 weight 0.10000E+01 volume 0.18952E-02 ppm1 8.709 ppm2 3.771 CV 1
ASSI { 643}
(( segid "PAH2" and resid 364 and name HA ))
(( segid "PAH2" and resid 364 and name HN ))
2.700 0.900 0.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.42517E-02 ppm1 7.110 ppm2 4.024 CV 1
ASSI { 645}
(( segid "PAH2" and resid 366 and name HA ))
(( segid "PAH2" and resid 366 and name HN ))
3.500 1.500 1.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.79173E-03 ppm1 8.290 ppm2 4.963 CV 1
ASSI { 646}
(( segid "PAH2" and resid 366 and name HA ))
(( segid "PAH2" and resid 367 and name HN ))
3.200 1.300 1.300 peak 646 spectrum 1 weight 0.10000E+01 volume 0.11072E-02 ppm1 7.027 ppm2 4.968 CV 1
ASSI { 647}
(( segid "PAH2" and resid 368 and name HA ))
(( segid "PAH2" and resid 368 and name HN ))
3.300 1.400 1.400 peak 647 spectrum 1 weight 0.10000E+01 volume 0.13715E-02 ppm1 8.884 ppm2 4.807 CV 1
ASSI { 649}
(( segid "PAH2" and resid 370 and name HA ))
(( segid "PAH2" and resid 370 and name HN ))
2.900 1.000 1.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.25810E-02 ppm1 8.750 ppm2 3.984 CV 1
ASSI { 650}
(( segid "PAH2" and resid 370 and name HA ))
(( segid "PAH2" and resid 371 and name HN ))
3.800 1.800 1.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.65462E-03 ppm1 8.969 ppm2 3.982 CV 1
ASSI { 651}
( segid "PAH2" and resid 372 and name HD2%)
(( segid "PAH2" and resid 372 and name HN ))
5.300 3.500 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.40647E-03 ppm1 7.740 ppm2 0.211 CV 1
ASSI { 653}
(( segid "PAH2" and resid 374 and name HB2 ))
(( segid "PAH2" and resid 374 and name HN ))
2.500 0.800 0.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.60096E-02 ppm1 8.625 ppm2 4.075 CV 1
OR { 653}
(( segid "PAH2" and resid 374 and name HB1 ))
(( segid "PAH2" and resid 374 and name HN ))
ASSI { 655}
(( segid "PAH2" and resid 378 and name HB2 ))
(( segid "PAH2" and resid 378 and name HN ))
2.600 0.900 0.900 peak 655 spectrum 1 weight 0.10000E+01 volume 0.53490E-02 ppm1 7.492 ppm2 1.727 CV 1
ASSI { 656}
(( segid "PAH2" and resid 379 and name HB2 ))
(( segid "PAH2" and resid 379 and name HN ))
2.800 1.000 1.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.15960E-02 ppm1 7.709 ppm2 2.656 CV 1
ASSI { 658}
(( segid "PAH2" and resid 382 and name HB1 ))
(( segid "PAH2" and resid 382 and name HN ))
3.100 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.27430E-02 ppm1 8.377 ppm2 2.609 CV 1
ASSI { 659}
(( segid "PAH2" and resid 382 and name HN ))
(( segid "PAH2" and resid 383 and name HN ))
2.200 0.600 0.600 peak 659 spectrum 1 weight 0.10000E+01 volume 0.82417E-02 ppm1 7.959 ppm2 8.348 CV 1
ASSI { 660}
(( segid "PAH2" and resid 383 and name HN ))
(( segid "PAH2" and resid 384 and name HN ))
3.200 1.300 1.300 peak 660 spectrum 1 weight 0.10000E+01 volume 0.11932E-02 ppm1 8.297 ppm2 7.953 CV 1
ASSI { 666}
(( segid "PAH2" and resid 320 and name HA1 ))
(( segid "PAH2" and resid 320 and name HN ))
2.300 0.700 0.700 peak 666 spectrum 1 weight 0.10000E+01 volume 0.92642E-02 ppm1 8.885 ppm2 4.212 CV 1
ASSI { 667}
( segid "PAH2" and resid 349 and name HD% )
(( segid "PAH2" and resid 350 and name HN ))
4.100 2.100 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.49001E-03 ppm1 7.968 ppm2 6.894 CV 1
ASSI { 670}
(( segid "PAH2" and resid 313 and name HD1 ))
(( segid "PAH2" and resid 313 and name HN ))
3.900 1.900 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.11134E-02 ppm1 8.005 ppm2 1.659 CV 1
ASSI { 677}
( segid "PAH2" and resid 324 and name HG2%)
(( segid "PAH2" and resid 324 and name HN ))
4.200 4.200 1.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.92017E-03 ppm1 7.978 ppm2 -0.008 CV 1
ASSI { 678}
(( segid "PAH2" and resid 317 and name HD2 ))
(( segid "PAH2" and resid 317 and name HN ))
4.400 2.400 1.600 peak 678 spectrum 1 weight 0.10000E+01 volume 0.59847E-03 ppm1 8.209 ppm2 3.005 CV 1
ASSI { 682}
(( segid "PAH2" and resid 304 and name HB2 ))
(( segid "PAH2" and resid 304 and name HN ))
2.600 0.900 0.900 peak 682 spectrum 1 weight 0.10000E+01 volume 0.38528E-02 ppm1 8.779 ppm2 3.163 CV 1
OR { 682}
(( segid "PAH2" and resid 304 and name HB1 ))
(( segid "PAH2" and resid 304 and name HN ))
ASSI { 683}
(( segid "PAH2" and resid 376 and name HB2 ))
(( segid "PAH2" and resid 376 and name HN ))
2.800 1.000 1.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.19700E-02 ppm1 7.946 ppm2 3.386 CV 1
ASSI { 684}
(( segid "PAH2" and resid 325 and name HB2 ))
(( segid "PAH2" and resid 325 and name HN ))
2.500 0.800 0.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.40772E-02 ppm1 6.912 ppm2 3.115 CV 1
OR { 684}
(( segid "PAH2" and resid 325 and name HB1 ))
(( segid "PAH2" and resid 325 and name HN ))
ASSI { 686}
(( segid "PAH2" and resid 310 and name HB2 ))
(( segid "PAH2" and resid 311 and name HN ))
4.000 2.000 2.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 8.362 ppm2 2.894 CV 1
ASSI { 687}
(( segid "PAH2" and resid 311 and name HB ))
(( segid "PAH2" and resid 311 and name HN ))
2.600 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.32418E-02 ppm1 8.363 ppm2 2.180 CV 1
ASSI { 688}
( segid "PAH2" and resid 311 and name HG2%)
(( segid "PAH2" and resid 311 and name HN ))
2.700 0.900 0.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.33166E-02 ppm1 8.365 ppm2 1.051 CV 1
ASSI { 690}
(( segid "PAH2" and resid 305 and name HB2 ))
(( segid "PAH2" and resid 305 and name HN ))
2.600 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.33540E-02 ppm1 8.369 ppm2 2.817 CV 1
ASSI { 691}
(( segid "PAH2" and resid 325 and name HB1 ))
(( segid "PAH2" and resid 326 and name HN ))
3.100 1.200 1.200 peak 691 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 8.101 ppm2 3.118 CV 1
OR { 691}
(( segid "PAH2" and resid 325 and name HB2 ))
(( segid "PAH2" and resid 326 and name HN ))
ASSI { 692}
(( segid "PAH2" and resid 353 and name HB2 ))
(( segid "PAH2" and resid 354 and name HN ))
4.500 2.600 1.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.55858E-03 ppm1 8.087 ppm2 1.546 CV 1
ASSI { 694}
(( segid "PAH2" and resid 351 and name HA ))
(( segid "PAH2" and resid 353 and name HN ))
4.200 2.200 1.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 7.641 ppm2 4.332 CV 1
ASSI { 1}
(( segid "PF1 " and resid 204 and name HA ))
(( segid "PF1 " and resid 205 and name HN ))
2.100 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.10740E-01 ppm1 8.499 ppm2 4.351 CV 1
ASSI { 14}
(( segid "PF1 " and resid 215 and name HN ))
(( segid "PF1 " and resid 214 and name HN ))
2.700 0.900 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.21479E-02 ppm1 7.696 ppm2 7.838 CV 1
ASSI { 15}
(( segid "PF1 " and resid 209 and name HB2 ))
(( segid "PF1 " and resid 213 and name HN ))
3.900 1.900 1.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.30039E-03 ppm1 7.736 ppm2 2.247 CV 1
ASSI { 16}
(( segid "PF1 " and resid 212 and name HB2 ))
(( segid "PF1 " and resid 213 and name HN ))
3.700 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.59592E-03 ppm1 7.733 ppm2 1.422 CV 1
ASSI { 17}
(( segid "PF1 " and resid 224 and name HA ))
(( segid "PF1 " and resid 226 and name HN ))
3.200 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 7.931 ppm2 4.172 CV 1
ASSI { 19}
(( segid "PF1 " and resid 200 and name HB1 ))
(( segid "PF1 " and resid 201 and name HN ))
3.800 1.800 1.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.40375E-03 ppm1 7.916 ppm2 2.573 CV 1
OR { 19}
(( segid "PF1 " and resid 200 and name HB2 ))
(( segid "PF1 " and resid 201 and name HN ))
ASSI { 20}
( segid "PF1 " and resid 201 and name HD% )
(( segid "PF1 " and resid 201 and name HN ))
3.600 1.600 1.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.83979E-03 ppm1 7.913 ppm2 7.063 CV 1
ASSI { 25}
(( segid "PF1 " and resid 225 and name HB1 ))
(( segid "PF1 " and resid 227 and name HN ))
4.800 2.900 1.200 peak 25 spectrum 1 weight 0.10000E+01 volume 0.93671E-04 ppm1 8.351 ppm2 3.171 CV 1
ASSI { 26}
(( segid "PF1 " and resid 198 and name HB2 ))
(( segid "PF1 " and resid 199 and name HN ))
5.600 3.900 0.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.53053E-04 ppm1 8.354 ppm2 2.790 CV 1
ASSI { 28}
(( segid "PF1 " and resid 207 and name HB2 ))
(( segid "PF1 " and resid 207 and name HN ))
2.500 0.800 0.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.44170E-02 ppm1 8.453 ppm2 1.812 CV 1
OR { 28}
(( segid "PF1 " and resid 207 and name HB1 ))
(( segid "PF1 " and resid 207 and name HN ))
ASSI { 29}
(( segid "PF1 " and resid 209 and name HD2 ))
(( segid "PF1 " and resid 208 and name HN ))
4.600 2.700 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.24064E-03 ppm1 8.755 ppm2 3.916 CV 1
ASSI { 31}
( segid "PF1 " and resid 225 and name HD% )
(( segid "PF1 " and resid 225 and name HN ))
3.600 1.600 1.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.49419E-03 ppm1 7.825 ppm2 7.271 CV 1
ASSI { 33}
(( segid "PF1 " and resid 236 and name HN ))
(( segid "PF1 " and resid 235 and name HN ))
3.400 1.400 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.85592E-03 ppm1 8.075 ppm2 8.237 CV 1
ASSI { 34}
(( segid "PF1 " and resid 237 and name HB2 ))
(( segid "PF1 " and resid 237 and name HN ))
2.100 0.600 0.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.98517E-02 ppm1 8.248 ppm2 1.600 CV 1
ASSI { 35}
(( segid "PF1 " and resid 199 and name HA ))
(( segid "PF1 " and resid 199 and name HN ))
3.100 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.13647E-02 ppm1 8.356 ppm2 4.278 CV 1
ASSI { 36}
( segid "PF1 " and resid 199 and name HB% )
(( segid "PF1 " and resid 199 and name HN ))
3.300 1.400 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.87211E-03 ppm1 8.352 ppm2 1.326 CV 1
ASSI { 37}
(( segid "PF1 " and resid 199 and name HA ))
(( segid "PF1 " and resid 200 and name HN ))
3.100 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.13324E-02 ppm1 8.079 ppm2 4.271 CV 1
ASSI { 38}
( segid "PF1 " and resid 199 and name HB% )
(( segid "PF1 " and resid 200 and name HN ))
3.700 1.700 1.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.44170E-03 ppm1 8.075 ppm2 1.316 CV 1
ASSI { 39}
(( segid "PF1 " and resid 200 and name HA ))
(( segid "PF1 " and resid 200 and name HN ))
3.300 1.400 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.78971E-03 ppm1 8.078 ppm2 4.509 CV 1
ASSI { 40}
(( segid "PF1 " and resid 200 and name HB2 ))
(( segid "PF1 " and resid 200 and name HN ))
2.900 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.19541E-02 ppm1 8.081 ppm2 2.566 CV 1
OR { 40}
(( segid "PF1 " and resid 200 and name HB1 ))
(( segid "PF1 " and resid 200 and name HN ))
ASSI { 42}
(( segid "PF1 " and resid 201 and name HB1 ))
(( segid "PF1 " and resid 201 and name HN ))
2.600 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.40294E-02 ppm1 7.918 ppm2 2.978 CV 1
OR { 42}
(( segid "PF1 " and resid 201 and name HB2 ))
(( segid "PF1 " and resid 201 and name HN ))
ASSI { 43}
(( segid "PF1 " and resid 201 and name HA ))
(( segid "PF1 " and resid 202 and name HN ))
2.300 0.600 0.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.70574E-02 ppm1 7.838 ppm2 4.521 CV 1
ASSI { 44}
(( segid "PF1 " and resid 201 and name HB2 ))
(( segid "PF1 " and resid 202 and name HN ))
3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.75501E-03 ppm1 7.838 ppm2 2.979 CV 1
OR { 44}
(( segid "PF1 " and resid 201 and name HB1 ))
(( segid "PF1 " and resid 202 and name HN ))
ASSI { 45}
(( segid "PF1 " and resid 202 and name HA ))
(( segid "PF1 " and resid 202 and name HN ))
3.000 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.12759E-02 ppm1 7.839 ppm2 3.974 CV 1
ASSI { 46}
(( segid "PF1 " and resid 202 and name HB ))
(( segid "PF1 " and resid 202 and name HN ))
2.700 0.900 0.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.26002E-02 ppm1 7.837 ppm2 1.903 CV 1
ASSI { 47}
( segid "PF1 " and resid 202 and name HG1%)
(( segid "PF1 " and resid 202 and name HN ))
2.900 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.20268E-02 ppm1 7.838 ppm2 0.856 CV 1
OR { 47}
( segid "PF1 " and resid 202 and name HG2%)
(( segid "PF1 " and resid 202 and name HN ))
ASSI { 49}
(( segid "PF1 " and resid 202 and name HA ))
(( segid "PF1 " and resid 203 and name HN ))
2.200 0.600 0.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.78572E-02 ppm1 8.348 ppm2 3.975 CV 1
ASSI { 51}
(( segid "PF1 " and resid 202 and name HN ))
(( segid "PF1 " and resid 203 and name HN ))
3.300 1.400 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.14535E-02 ppm1 8.349 ppm2 7.844 CV 1
ASSI { 52}
( segid "PF1 " and resid 202 and name HG2%)
(( segid "PF1 " and resid 203 and name HN ))
3.200 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.12678E-02 ppm1 8.349 ppm2 0.842 CV 1
OR { 52}
( segid "PF1 " and resid 202 and name HG1%)
(( segid "PF1 " and resid 203 and name HN ))
ASSI { 53}
(( segid "PF1 " and resid 203 and name HA ))
(( segid "PF1 " and resid 203 and name HN ))
2.900 1.000 1.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.16473E-02 ppm1 8.349 ppm2 4.453 CV 1
ASSI { 54}
(( segid "PF1 " and resid 203 and name HB1 ))
(( segid "PF1 " and resid 203 and name HN ))
2.900 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.17523E-02 ppm1 8.348 ppm2 2.076 CV 1
ASSI { 55}
(( segid "PF1 " and resid 203 and name HG2 ))
(( segid "PF1 " and resid 203 and name HN ))
3.300 1.400 1.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 8.350 ppm2 2.405 CV 1
OR { 55}
(( segid "PF1 " and resid 203 and name HG1 ))
(( segid "PF1 " and resid 203 and name HN ))
ASSI { 56}
(( segid "PF1 " and resid 204 and name HD2 ))
(( segid "PF1 " and resid 205 and name HN ))
3.400 3.400 2.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.35772E-03 ppm1 8.503 ppm2 3.699 CV 1
ASSI { 58}
(( segid "PF1 " and resid 204 and name HB2 ))
(( segid "PF1 " and resid 205 and name HN ))
2.400 0.700 0.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.49096E-02 ppm1 8.505 ppm2 1.929 CV 1
ASSI { 59}
(( segid "PF1 " and resid 204 and name HB1 ))
(( segid "PF1 " and resid 205 and name HN ))
3.000 1.100 1.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.20995E-02 ppm1 8.501 ppm2 2.328 CV 1
ASSI { 62}
(( segid "PF1 " and resid 205 and name HB2 ))
(( segid "PF1 " and resid 206 and name HN ))
3.000 1.200 1.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14697E-02 ppm1 8.243 ppm2 1.965 CV 1
ASSI { 64}
(( segid "PF1 " and resid 205 and name HG2 ))
(( segid "PF1 " and resid 206 and name HN ))
3.700 1.700 1.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.56121E-03 ppm1 8.245 ppm2 2.360 CV 1
OR { 64}
(( segid "PF1 " and resid 205 and name HG1 ))
(( segid "PF1 " and resid 206 and name HN ))
ASSI { 68}
(( segid "PF1 " and resid 206 and name HA ))
(( segid "PF1 " and resid 207 and name HN ))
2.500 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.46028E-02 ppm1 8.455 ppm2 4.342 CV 1
ASSI { 69}
( segid "PF1 " and resid 206 and name HD2%)
(( segid "PF1 " and resid 207 and name HN ))
3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.56363E-03 ppm1 8.452 ppm2 0.863 CV 1
ASSI { 70}
(( segid "PF1 " and resid 207 and name HA ))
(( segid "PF1 " and resid 207 and name HN ))
2.800 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.21399E-02 ppm1 8.455 ppm2 4.473 CV 1
ASSI { 71}
(( segid "PF1 " and resid 208 and name HN ))
(( segid "PF1 " and resid 207 and name HN ))
3.200 1.300 1.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.94475E-03 ppm1 8.460 ppm2 8.725 CV 1
ASSI { 73}
(( segid "PF1 " and resid 211 and name HB1 ))
(( segid "PF1 " and resid 208 and name HN ))
3.300 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.10336E-02 ppm1 8.742 ppm2 2.136 CV 1
OR { 73}
(( segid "PF1 " and resid 211 and name HB2 ))
(( segid "PF1 " and resid 208 and name HN ))
ASSI { 74}
(( segid "PF1 " and resid 207 and name HA ))
(( segid "PF1 " and resid 208 and name HN ))
2.500 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.39890E-02 ppm1 8.744 ppm2 4.484 CV 1
ASSI { 76}
(( segid "PF1 " and resid 208 and name HA ))
(( segid "PF1 " and resid 208 and name HN ))
3.100 1.200 1.200 peak 76 spectrum 1 weight 0.10000E+01 volume 0.11870E-02 ppm1 8.748 ppm2 4.636 CV 1
ASSI { 78}
(( segid "PF1 " and resid 210 and name HB1 ))
(( segid "PF1 " and resid 210 and name HN ))
3.800 1.800 1.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.46431E-03 ppm1 8.702 ppm2 3.584 CV 1
ASSI { 79}
(( segid "PF1 " and resid 210 and name HB2 ))
(( segid "PF1 " and resid 210 and name HN ))
3.100 1.200 1.200 peak 79 spectrum 1 weight 0.10000E+01 volume 0.92861E-03 ppm1 8.688 ppm2 2.896 CV 1
ASSI { 80}
(( segid "PF1 " and resid 211 and name HN ))
(( segid "PF1 " and resid 210 and name HN ))
3.400 1.400 1.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.55475E-03 ppm1 8.706 ppm2 7.574 CV 1
ASSI { 82}
(( segid "PF1 " and resid 211 and name HA ))
(( segid "PF1 " and resid 211 and name HN ))
4.100 2.100 1.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.21883E-03 ppm1 7.561 ppm2 3.859 CV 1
ASSI { 83}
(( segid "PF1 " and resid 211 and name HB2 ))
(( segid "PF1 " and resid 211 and name HN ))
3.900 1.900 1.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.24225E-03 ppm1 7.558 ppm2 2.125 CV 1
OR { 83}
(( segid "PF1 " and resid 211 and name HB1 ))
(( segid "PF1 " and resid 211 and name HN ))
ASSI { 84}
(( segid "PF1 " and resid 211 and name HG2 ))
(( segid "PF1 " and resid 211 and name HN ))
3.400 1.400 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.20026E-02 ppm1 7.562 ppm2 2.379 CV 1
OR { 84}
(( segid "PF1 " and resid 211 and name HG1 ))
(( segid "PF1 " and resid 211 and name HN ))
ASSI { 85}
(( segid "PF1 " and resid 212 and name HN ))
(( segid "PF1 " and resid 211 and name HN ))
3.600 1.600 1.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.42878E-03 ppm1 7.559 ppm2 7.870 CV 1
ASSI { 89}
(( segid "PF1 " and resid 213 and name HB1 ))
(( segid "PF1 " and resid 213 and name HN ))
3.600 1.600 1.600 peak 89 spectrum 1 weight 0.10000E+01 volume 0.97707E-03 ppm1 7.740 ppm2 1.818 CV 1
ASSI { 90}
(( segid "PF1 " and resid 213 and name HB2 ))
(( segid "PF1 " and resid 213 and name HN ))
3.100 1.200 1.200 peak 90 spectrum 1 weight 0.10000E+01 volume 0.72916E-03 ppm1 7.741 ppm2 1.084 CV 1
ASSI { 91}
( segid "PF1 " and resid 213 and name HD2%)
(( segid "PF1 " and resid 213 and name HN ))
4.400 2.400 1.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.26647E-03 ppm1 7.745 ppm2 0.655 CV 1
ASSI { 92}
( segid "PF1 " and resid 213 and name HD2%)
(( segid "PF1 " and resid 214 and name HN ))
3.900 1.900 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.73483E-03 ppm1 7.710 ppm2 0.627 CV 1
ASSI { 94}
(( segid "PF1 " and resid 214 and name HB ))
(( segid "PF1 " and resid 214 and name HN ))
2.800 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.18976E-02 ppm1 7.703 ppm2 1.750 CV 1
ASSI { 95}
(( segid "PF1 " and resid 214 and name HG11))
(( segid "PF1 " and resid 214 and name HN ))
2.600 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 7.700 ppm2 1.309 CV 1
ASSI { 97}
(( segid "PF1 " and resid 214 and name HB ))
(( segid "PF1 " and resid 215 and name HN ))
2.500 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.34318E-02 ppm1 7.845 ppm2 1.746 CV 1
ASSI { 98}
( segid "PF1 " and resid 214 and name HG2%)
(( segid "PF1 " and resid 215 and name HN ))
3.900 1.900 1.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.45220E-03 ppm1 7.841 ppm2 0.817 CV 1
ASSI { 100}
(( segid "PF1 " and resid 215 and name HA ))
(( segid "PF1 " and resid 215 and name HN ))
2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.25113E-02 ppm1 7.841 ppm2 4.062 CV 1
ASSI { 101}
( segid "PF1 " and resid 215 and name HB% )
(( segid "PF1 " and resid 215 and name HN ))
2.500 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.43847E-02 ppm1 7.843 ppm2 1.548 CV 1
ASSI { 103}
( segid "PF1 " and resid 215 and name HB% )
(( segid "PF1 " and resid 216 and name HN ))
2.900 1.100 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.16553E-02 ppm1 8.375 ppm2 1.542 CV 1
ASSI { 104}
( segid "PF1 " and resid 217 and name HB% )
(( segid "PF1 " and resid 216 and name HN ))
3.800 1.800 1.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.86402E-03 ppm1 8.373 ppm2 1.340 CV 1
ASSI { 107}
(( segid "PF1 " and resid 215 and name HN ))
(( segid "PF1 " and resid 216 and name HN ))
2.700 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.21399E-02 ppm1 8.372 ppm2 7.835 CV 1
ASSI { 109}
( segid "PF1 " and resid 216 and name HB% )
(( segid "PF1 " and resid 216 and name HN ))
2.500 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.33834E-02 ppm1 8.374 ppm2 1.191 CV 1
ASSI { 110}
(( segid "PF1 " and resid 218 and name HN ))
(( segid "PF1 " and resid 217 and name HN ))
2.600 0.800 0.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.30362E-02 ppm1 8.334 ppm2 8.096 CV 1
ASSI { 111}
(( segid "PF1 " and resid 213 and name HB2 ))
(( segid "PF1 " and resid 217 and name HN ))
3.600 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.81556E-03 ppm1 8.334 ppm2 1.066 CV 1
ASSI { 113}
( segid "PF1 " and resid 216 and name HB% )
(( segid "PF1 " and resid 217 and name HN ))
2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.21399E-02 ppm1 8.333 ppm2 1.188 CV 1
ASSI { 114}
(( segid "PF1 " and resid 217 and name HA ))
(( segid "PF1 " and resid 217 and name HN ))
2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.19945E-02 ppm1 8.334 ppm2 4.016 CV 1
ASSI { 115}
( segid "PF1 " and resid 217 and name HB% )
(( segid "PF1 " and resid 217 and name HN ))
2.400 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.48450E-02 ppm1 8.335 ppm2 1.354 CV 1
ASSI { 118}
( segid "PF1 " and resid 217 and name HB% )
(( segid "PF1 " and resid 218 and name HN ))
3.000 1.100 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.14293E-02 ppm1 8.093 ppm2 1.361 CV 1
ASSI { 120}
(( segid "PF1 " and resid 218 and name HB1 ))
(( segid "PF1 " and resid 218 and name HN ))
3.600 1.600 1.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.12759E-02 ppm1 8.094 ppm2 2.325 CV 1
ASSI { 121}
(( segid "PF1 " and resid 218 and name HB2 ))
(( segid "PF1 " and resid 218 and name HN ))
2.400 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.39244E-02 ppm1 8.095 ppm2 1.968 CV 1
ASSI { 122}
(( segid "PF1 " and resid 218 and name HG2 ))
(( segid "PF1 " and resid 218 and name HN ))
3.400 1.400 1.400 peak 122 spectrum 1 weight 0.10000E+01 volume 0.93671E-03 ppm1 8.095 ppm2 2.517 CV 1
OR { 122}
(( segid "PF1 " and resid 218 and name HG1 ))
(( segid "PF1 " and resid 218 and name HN ))
ASSI { 123}
(( segid "PF1 " and resid 219 and name HN ))
(( segid "PF1 " and resid 218 and name HN ))
2.600 0.900 0.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.26082E-02 ppm1 8.095 ppm2 7.764 CV 1
ASSI { 124}
(( segid "PF1 " and resid 218 and name HB2 ))
(( segid "PF1 " and resid 219 and name HN ))
2.700 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.23175E-02 ppm1 7.760 ppm2 1.984 CV 1
ASSI { 127}
(( segid "PF1 " and resid 219 and name HA ))
(( segid "PF1 " and resid 219 and name HN ))
2.500 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.41990E-02 ppm1 7.761 ppm2 4.137 CV 1
ASSI { 128}
(( segid "PF1 " and resid 219 and name HB2 ))
(( segid "PF1 " and resid 219 and name HN ))
2.400 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.44897E-02 ppm1 7.758 ppm2 2.158 CV 1
ASSI { 130}
(( segid "PF1 " and resid 220 and name HN ))
(( segid "PF1 " and resid 219 and name HN ))
2.400 0.700 0.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.44009E-02 ppm1 7.757 ppm2 7.967 CV 1
ASSI { 131}
(( segid "PF1 " and resid 219 and name HG1 ))
(( segid "PF1 " and resid 220 and name HN ))
4.600 2.700 1.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.16634E-03 ppm1 7.968 ppm2 2.344 CV 1
OR { 131}
(( segid "PF1 " and resid 219 and name HG2 ))
(( segid "PF1 " and resid 220 and name HN ))
ASSI { 132}
(( segid "PF1 " and resid 219 and name HA ))
(( segid "PF1 " and resid 220 and name HN ))
2.900 1.000 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.19865E-02 ppm1 7.970 ppm2 4.138 CV 1
ASSI { 133}
(( segid "PF1 " and resid 219 and name HB2 ))
(( segid "PF1 " and resid 220 and name HN ))
3.500 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 7.975 ppm2 2.148 CV 1
ASSI { 135}
(( segid "PF1 " and resid 220 and name HA ))
(( segid "PF1 " and resid 220 and name HN ))
3.300 1.400 1.400 peak 135 spectrum 1 weight 0.10000E+01 volume 0.77115E-03 ppm1 7.971 ppm2 4.369 CV 1
ASSI { 136}
(( segid "PF1 " and resid 220 and name HB1 ))
(( segid "PF1 " and resid 220 and name HN ))
3.400 1.400 1.400 peak 136 spectrum 1 weight 0.10000E+01 volume 0.12759E-02 ppm1 7.971 ppm2 1.952 CV 1
ASSI { 137}
(( segid "PF1 " and resid 220 and name HB2 ))
(( segid "PF1 " and resid 220 and name HN ))
2.700 0.900 0.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.20026E-02 ppm1 7.971 ppm2 1.800 CV 1
ASSI { 138}
(( segid "PF1 " and resid 220 and name HG1 ))
(( segid "PF1 " and resid 220 and name HN ))
2.900 1.100 1.100 peak 138 spectrum 1 weight 0.10000E+01 volume 0.19218E-02 ppm1 7.971 ppm2 1.708 CV 1
OR { 138}
(( segid "PF1 " and resid 220 and name HG2 ))
(( segid "PF1 " and resid 220 and name HN ))
ASSI { 139}
(( segid "PF1 " and resid 220 and name HD2 ))
(( segid "PF1 " and resid 220 and name HN ))
5.100 3.300 0.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.10336E-03 ppm1 7.976 ppm2 3.223 CV 1
OR { 139}
(( segid "PF1 " and resid 220 and name HD1 ))
(( segid "PF1 " and resid 220 and name HN ))
ASSI { 141}
(( segid "PF1 " and resid 220 and name HB1 ))
(( segid "PF1 " and resid 221 and name HN ))
3.500 1.500 1.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.59673E-03 ppm1 8.167 ppm2 1.946 CV 1
ASSI { 142}
(( segid "PF1 " and resid 220 and name HB2 ))
(( segid "PF1 " and resid 221 and name HN ))
3.400 1.400 1.400 peak 142 spectrum 1 weight 0.10000E+01 volume 0.56525E-03 ppm1 8.168 ppm2 1.771 CV 1
ASSI { 143}
(( segid "PF1 " and resid 219 and name HA ))
(( segid "PF1 " and resid 221 and name HN ))
3.800 1.800 1.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.45624E-03 ppm1 8.166 ppm2 4.126 CV 1
ASSI { 144}
(( segid "PF1 " and resid 222 and name HD2 ))
(( segid "PF1 " and resid 221 and name HN ))
4.300 2.300 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.41909E-03 ppm1 8.166 ppm2 3.639 CV 1
ASSI { 145}
(( segid "PF1 " and resid 221 and name HB2 ))
(( segid "PF1 " and resid 221 and name HN ))
2.800 0.900 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.19784E-02 ppm1 8.168 ppm2 2.757 CV 1
ASSI { 146}
(( segid "PF1 " and resid 221 and name HB1 ))
(( segid "PF1 " and resid 221 and name HN ))
3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.17442E-02 ppm1 8.167 ppm2 2.835 CV 1
ASSI { 147}
(( segid "PF1 " and resid 220 and name HA ))
(( segid "PF1 " and resid 221 and name HN ))
3.000 1.200 1.200 peak 147 spectrum 1 weight 0.10000E+01 volume 0.16069E-02 ppm1 8.168 ppm2 4.368 CV 1
ASSI { 148}
(( segid "PF1 " and resid 220 and name HN ))
(( segid "PF1 " and resid 221 and name HN ))
2.300 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.67428E-02 ppm1 8.167 ppm2 7.976 CV 1
ASSI { 149}
(( segid "PF1 " and resid 221 and name HA ))
(( segid "PF1 " and resid 221 and name HN ))
3.300 1.300 1.300 peak 149 spectrum 1 weight 0.10000E+01 volume 0.76473E-03 ppm1 8.167 ppm2 5.082 CV 1
ASSI { 150}
(( segid "PF1 " and resid 221 and name HA ))
(( segid "PF1 " and resid 223 and name HN ))
4.400 2.400 1.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.18896E-03 ppm1 8.099 ppm2 5.083 CV 1
ASSI { 151}
(( segid "PF1 " and resid 222 and name HA ))
(( segid "PF1 " and resid 223 and name HN ))
2.700 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.27293E-02 ppm1 8.095 ppm2 4.430 CV 1
ASSI { 152}
(( segid "PF1 " and resid 222 and name HB1 ))
(( segid "PF1 " and resid 223 and name HN ))
4.000 2.000 2.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.43443E-03 ppm1 8.094 ppm2 2.281 CV 1
ASSI { 153}
(( segid "PF1 " and resid 222 and name HB2 ))
(( segid "PF1 " and resid 223 and name HN ))
2.700 0.900 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.32462E-02 ppm1 8.095 ppm2 1.986 CV 1
OR { 153}
(( segid "PF1 " and resid 222 and name HG1 ))
(( segid "PF1 " and resid 223 and name HN ))
OR { 153}
(( segid "PF1 " and resid 222 and name HG2 ))
(( segid "PF1 " and resid 223 and name HN ))
ASSI { 154}
(( segid "PF1 " and resid 223 and name HB ))
(( segid "PF1 " and resid 223 and name HN ))
2.500 0.800 0.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.40859E-02 ppm1 8.094 ppm2 4.190 CV 1
ASSI { 155}
( segid "PF1 " and resid 223 and name HG2%)
(( segid "PF1 " and resid 223 and name HN ))
2.900 1.000 1.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.20511E-02 ppm1 8.094 ppm2 1.186 CV 1
ASSI { 156}
(( segid "PF1 " and resid 224 and name HN ))
(( segid "PF1 " and resid 223 and name HN ))
2.900 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.31492E-02 ppm1 8.096 ppm2 7.944 CV 1
ASSI { 157}
(( segid "PF1 " and resid 222 and name HD1 ))
(( segid "PF1 " and resid 223 and name HN ))
3.600 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.70655E-03 ppm1 8.093 ppm2 3.694 CV 1
ASSI { 158}
(( segid "PF1 " and resid 224 and name HA ))
(( segid "PF1 " and resid 224 and name HN ))
2.300 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.77762E-02 ppm1 7.933 ppm2 4.173 CV 1
ASSI { 161}
( segid "PF1 " and resid 223 and name HG2%)
(( segid "PF1 " and resid 224 and name HN ))
4.700 2.800 1.300 peak 161 spectrum 1 weight 0.10000E+01 volume 0.15343E-03 ppm1 7.931 ppm2 1.180 CV 1
ASSI { 162}
(( segid "PF1 " and resid 224 and name HB1 ))
(( segid "PF1 " and resid 224 and name HN ))
2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.65329E-02 ppm1 7.933 ppm2 1.877 CV 1
OR { 162}
(( segid "PF1 " and resid 224 and name HB2 ))
(( segid "PF1 " and resid 224 and name HN ))
ASSI { 163}
(( segid "PF1 " and resid 224 and name HG1 ))
(( segid "PF1 " and resid 224 and name HN ))
2.800 1.000 1.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.21076E-02 ppm1 7.934 ppm2 2.092 CV 1
OR { 163}
(( segid "PF1 " and resid 224 and name HG2 ))
(( segid "PF1 " and resid 224 and name HN ))
ASSI { 164}
(( segid "PF1 " and resid 223 and name HA ))
(( segid "PF1 " and resid 225 and name HN ))
3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 7.823 ppm2 4.331 CV 1
ASSI { 165}
(( segid "PF1 " and resid 224 and name HB2 ))
(( segid "PF1 " and resid 225 and name HN ))
3.300 1.400 1.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.12193E-02 ppm1 7.825 ppm2 1.864 CV 1
OR { 165}
(( segid "PF1 " and resid 224 and name HB1 ))
(( segid "PF1 " and resid 225 and name HN ))
ASSI { 166}
(( segid "PF1 " and resid 224 and name HG2 ))
(( segid "PF1 " and resid 225 and name HN ))
3.700 1.700 1.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.53860E-03 ppm1 7.822 ppm2 2.064 CV 1
OR { 166}
(( segid "PF1 " and resid 224 and name HG1 ))
(( segid "PF1 " and resid 225 and name HN ))
ASSI { 167}
(( segid "PF1 " and resid 224 and name HA ))
(( segid "PF1 " and resid 225 and name HN ))
2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.24629E-02 ppm1 7.825 ppm2 4.154 CV 1
ASSI { 168}
(( segid "PF1 " and resid 225 and name HB1 ))
(( segid "PF1 " and resid 225 and name HN ))
3.800 1.800 1.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.78005E-03 ppm1 7.827 ppm2 3.153 CV 1
ASSI { 169}
(( segid "PF1 " and resid 225 and name HB2 ))
(( segid "PF1 " and resid 225 and name HN ))
2.800 1.000 1.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.19299E-02 ppm1 7.824 ppm2 2.834 CV 1
ASSI { 170}
(( segid "PF1 " and resid 226 and name HG2 ))
(( segid "PF1 " and resid 226 and name HN ))
3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.13566E-02 ppm1 7.929 ppm2 2.290 CV 1
ASSI { 171}
(( segid "PF1 " and resid 225 and name HB1 ))
(( segid "PF1 " and resid 226 and name HN ))
4.100 2.100 1.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.38276E-03 ppm1 7.930 ppm2 3.156 CV 1
ASSI { 172}
(( segid "PF1 " and resid 225 and name HB2 ))
(( segid "PF1 " and resid 226 and name HN ))
3.500 1.500 1.500 peak 172 spectrum 1 weight 0.10000E+01 volume 0.64277E-03 ppm1 7.933 ppm2 2.833 CV 1
ASSI { 174}
(( segid "PF1 " and resid 226 and name HB2 ))
(( segid "PF1 " and resid 226 and name HN ))
2.400 0.700 0.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.61206E-02 ppm1 7.930 ppm2 1.953 CV 1
ASSI { 176}
(( segid "PF1 " and resid 226 and name HG2 ))
(( segid "PF1 " and resid 227 and name HN ))
4.100 2.100 1.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.40052E-03 ppm1 8.353 ppm2 2.276 CV 1
ASSI { 177}
(( segid "PF1 " and resid 228 and name HD2 ))
(( segid "PF1 " and resid 227 and name HN ))
4.600 2.700 1.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.12274E-03 ppm1 8.361 ppm2 3.635 CV 1
ASSI { 179}
(( segid "PF1 " and resid 226 and name HA ))
(( segid "PF1 " and resid 227 and name HN ))
2.200 0.600 0.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.77034E-02 ppm1 8.354 ppm2 4.294 CV 1
ASSI { 180}
(( segid "PF1 " and resid 226 and name HN ))
(( segid "PF1 " and resid 227 and name HN ))
3.000 1.100 1.100 peak 180 spectrum 1 weight 0.10000E+01 volume 0.18330E-02 ppm1 8.353 ppm2 7.934 CV 1
ASSI { 181}
(( segid "PF1 " and resid 227 and name HA ))
(( segid "PF1 " and resid 227 and name HN ))
3.000 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.15343E-02 ppm1 8.352 ppm2 4.555 CV 1
ASSI { 182}
(( segid "PF1 " and resid 227 and name HB1 ))
(( segid "PF1 " and resid 227 and name HN ))
2.800 1.000 1.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.43605E-02 ppm1 8.353 ppm2 1.681 CV 1
ASSI { 183}
(( segid "PF1 " and resid 227 and name HB2 ))
(( segid "PF1 " and resid 227 and name HN ))
2.200 0.600 0.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.67908E-02 ppm1 8.353 ppm2 1.589 CV 1
ASSI { 184}
( segid "PF1 " and resid 227 and name HD1%)
(( segid "PF1 " and resid 227 and name HN ))
3.600 1.600 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.70169E-03 ppm1 8.353 ppm2 0.930 CV 1
OR { 184}
( segid "PF1 " and resid 227 and name HD2%)
(( segid "PF1 " and resid 227 and name HN ))
ASSI { 185}
(( segid "PF1 " and resid 228 and name HB2 ))
(( segid "PF1 " and resid 229 and name HN ))
3.300 1.300 1.300 peak 185 spectrum 1 weight 0.10000E+01 volume 0.95284E-03 ppm1 8.452 ppm2 1.909 CV 1
ASSI { 188}
(( segid "PF1 " and resid 228 and name HA ))
(( segid "PF1 " and resid 229 and name HN ))
2.300 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.62987E-02 ppm1 8.455 ppm2 4.376 CV 1
ASSI { 189}
(( segid "PF1 " and resid 228 and name HB1 ))
(( segid "PF1 " and resid 229 and name HN ))
4.000 2.000 2.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.43282E-03 ppm1 8.455 ppm2 2.287 CV 1
ASSI { 190}
(( segid "PF1 " and resid 228 and name HD2 ))
(( segid "PF1 " and resid 229 and name HN ))
3.800 1.800 1.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.18007E-03 ppm1 8.458 ppm2 3.632 CV 1
ASSI { 191}
(( segid "PF1 " and resid 229 and name HA ))
(( segid "PF1 " and resid 229 and name HN ))
2.800 1.000 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.22610E-02 ppm1 8.452 ppm2 4.602 CV 1
ASSI { 192}
(( segid "PF1 " and resid 229 and name HB1 ))
(( segid "PF1 " and resid 229 and name HN ))
2.800 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.26486E-02 ppm1 8.453 ppm2 2.781 CV 1
OR { 192}
(( segid "PF1 " and resid 229 and name HB2 ))
(( segid "PF1 " and resid 229 and name HN ))
ASSI { 193}
(( segid "PF1 " and resid 230 and name HB2 ))
(( segid "PF1 " and resid 230 and name HN ))
2.700 0.900 0.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.34238E-02 ppm1 8.423 ppm2 1.954 CV 1
ASSI { 194}
(( segid "PF1 " and resid 230 and name HB1 ))
(( segid "PF1 " and resid 230 and name HN ))
2.900 1.100 1.100 peak 194 spectrum 1 weight 0.10000E+01 volume 0.16796E-02 ppm1 8.423 ppm2 2.049 CV 1
ASSI { 195}
(( segid "PF1 " and resid 229 and name HA ))
(( segid "PF1 " and resid 230 and name HN ))
2.700 0.900 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.29716E-02 ppm1 8.421 ppm2 4.599 CV 1
ASSI { 196}
(( segid "PF1 " and resid 230 and name HA ))
(( segid "PF1 " and resid 230 and name HN ))
2.900 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.18250E-02 ppm1 8.422 ppm2 4.269 CV 1
ASSI { 197}
(( segid "PF1 " and resid 230 and name HG1 ))
(( segid "PF1 " and resid 230 and name HN ))
3.200 1.300 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.11305E-02 ppm1 8.424 ppm2 2.246 CV 1
OR { 197}
(( segid "PF1 " and resid 230 and name HG2 ))
(( segid "PF1 " and resid 230 and name HN ))
ASSI { 198}
(( segid "PF1 " and resid 230 and name HB2 ))
(( segid "PF1 " and resid 231 and name HN ))
3.400 1.500 1.500 peak 198 spectrum 1 weight 0.10000E+01 volume 0.82365E-03 ppm1 8.201 ppm2 1.995 CV 1
ASSI { 199}
(( segid "PF1 " and resid 231 and name HB2 ))
(( segid "PF1 " and resid 231 and name HN ))
2.400 0.700 0.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.49742E-02 ppm1 8.202 ppm2 1.641 CV 1
OR { 199}
(( segid "PF1 " and resid 231 and name HG ))
(( segid "PF1 " and resid 231 and name HN ))
ASSI { 200}
(( segid "PF1 " and resid 230 and name HA ))
(( segid "PF1 " and resid 231 and name HN ))
2.600 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.36903E-02 ppm1 8.203 ppm2 4.272 CV 1
ASSI { 201}
(( segid "PF1 " and resid 230 and name HG2 ))
(( segid "PF1 " and resid 231 and name HN ))
4.300 2.400 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.19218E-03 ppm1 8.202 ppm2 2.251 CV 1
OR { 201}
(( segid "PF1 " and resid 230 and name HG1 ))
(( segid "PF1 " and resid 231 and name HN ))
ASSI { 202}
(( segid "PF1 " and resid 231 and name HA ))
(( segid "PF1 " and resid 231 and name HN ))
2.800 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.22368E-02 ppm1 8.203 ppm2 4.383 CV 1
ASSI { 203}
( segid "PF1 " and resid 231 and name HD1%)
(( segid "PF1 " and resid 231 and name HN ))
4.000 2.000 2.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.32219E-03 ppm1 8.203 ppm2 0.900 CV 1
ASSI { 205}
(( segid "PF1 " and resid 231 and name HB2 ))
(( segid "PF1 " and resid 232 and name HN ))
3.300 1.400 1.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.87211E-03 ppm1 8.044 ppm2 1.620 CV 1
OR { 205}
(( segid "PF1 " and resid 231 and name HG ))
(( segid "PF1 " and resid 232 and name HN ))
ASSI { 206}
(( segid "PF1 " and resid 232 and name HB ))
(( segid "PF1 " and resid 232 and name HN ))
3.000 1.200 1.200 peak 206 spectrum 1 weight 0.10000E+01 volume 0.14535E-02 ppm1 8.042 ppm2 4.237 CV 1
ASSI { 207}
( segid "PF1 " and resid 232 and name HG2%)
(( segid "PF1 " and resid 232 and name HN ))
3.400 1.400 1.400 peak 207 spectrum 1 weight 0.10000E+01 volume 0.75096E-03 ppm1 8.044 ppm2 1.186 CV 1
ASSI { 208}
(( segid "PF1 " and resid 234 and name HA ))
(( segid "PF1 " and resid 233 and name HN ))
3.200 1.300 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.34723E-02 ppm1 8.333 ppm2 4.341 CV 1
ASSI { 212}
(( segid "PF1 " and resid 233 and name HA ))
(( segid "PF1 " and resid 233 and name HN ))
3.400 1.500 1.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.58465E-03 ppm1 8.328 ppm2 4.598 CV 1
ASSI { 213}
(( segid "PF1 " and resid 233 and name HB2 ))
(( segid "PF1 " and resid 233 and name HN ))
3.100 1.200 1.200 peak 213 spectrum 1 weight 0.10000E+01 volume 0.12274E-02 ppm1 8.332 ppm2 2.944 CV 1
OR { 213}
(( segid "PF1 " and resid 233 and name HB1 ))
(( segid "PF1 " and resid 233 and name HN ))
ASSI { 214}
(( segid "PF1 " and resid 232 and name HA ))
(( segid "PF1 " and resid 234 and name HN ))
3.900 1.900 1.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.67671E-03 ppm1 8.347 ppm2 4.416 CV 1
ASSI { 215}
(( segid "PF1 " and resid 232 and name HB ))
(( segid "PF1 " and resid 234 and name HN ))
4.100 2.100 1.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.52488E-03 ppm1 8.347 ppm2 4.273 CV 1
ASSI { 216}
(( segid "PF1 " and resid 233 and name HA ))
(( segid "PF1 " and resid 234 and name HN ))
3.000 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.18896E-02 ppm1 8.347 ppm2 4.603 CV 1
ASSI { 217}
(( segid "PF1 " and resid 233 and name HB2 ))
(( segid "PF1 " and resid 234 and name HN ))
4.300 2.300 1.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.27132E-03 ppm1 8.354 ppm2 2.944 CV 1
OR { 217}
(( segid "PF1 " and resid 233 and name HB1 ))
(( segid "PF1 " and resid 234 and name HN ))
ASSI { 218}
( segid "PF1 " and resid 234 and name HG2%)
(( segid "PF1 " and resid 234 and name HN ))
3.500 1.600 1.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.43363E-03 ppm1 8.348 ppm2 1.202 CV 1
ASSI { 222}
( segid "PF1 " and resid 235 and name HG2%)
(( segid "PF1 " and resid 236 and name HN ))
4.100 2.100 1.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.32219E-03 ppm1 8.236 ppm2 1.181 CV 1
ASSI { 224}
( segid "PF1 " and resid 236 and name HB% )
(( segid "PF1 " and resid 236 and name HN ))
3.100 1.200 1.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.14454E-02 ppm1 8.237 ppm2 1.339 CV 1
ASSI { 226}
( segid "PF1 " and resid 236 and name HB% )
(( segid "PF1 " and resid 237 and name HN ))
3.800 1.800 1.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.46431E-03 ppm1 8.259 ppm2 1.342 CV 1
ASSI { 227}
(( segid "PF1 " and resid 237 and name HA ))
(( segid "PF1 " and resid 237 and name HN ))
3.700 1.700 1.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.39244E-03 ppm1 8.249 ppm2 4.571 CV 1
ASSI { 229}
(( segid "PF1 " and resid 238 and name HA ))
(( segid "PF1 " and resid 239 and name HN ))
2.800 1.000 1.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.19057E-02 ppm1 8.526 ppm2 4.406 CV 1
ASSI { 230}
(( segid "PF1 " and resid 239 and name HA1 ))
(( segid "PF1 " and resid 239 and name HN ))
3.100 1.200 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.12678E-02 ppm1 8.528 ppm2 3.985 CV 1
OR { 230}
(( segid "PF1 " and resid 239 and name HA2 ))
(( segid "PF1 " and resid 239 and name HN ))
ASSI { 231}
(( segid "PF1 " and resid 240 and name HN ))
(( segid "PF1 " and resid 239 and name HN ))
3.300 1.300 1.300 peak 231 spectrum 1 weight 0.10000E+01 volume 0.90438E-03 ppm1 8.518 ppm2 8.106 CV 1
ASSI { 233}
(( segid "PF1 " and resid 240 and name HA ))
(( segid "PF1 " and resid 240 and name HN ))
5.300 3.500 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.49742E-04 ppm1 8.116 ppm2 4.520 CV 1
ASSI { 234}
(( segid "PF1 " and resid 229 and name HB1 ))
(( segid "PF1 " and resid 230 and name HN ))
3.100 1.200 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 8.425 ppm2 2.783 CV 1
OR { 234}
(( segid "PF1 " and resid 229 and name HB2 ))
(( segid "PF1 " and resid 230 and name HN ))
ASSI { 235}
(( segid "PF1 " and resid 235 and name HB ))
(( segid "PF1 " and resid 236 and name HN ))
3.600 1.600 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.59188E-03 ppm1 8.237 ppm2 4.179 CV 1
ASSI { 236}
(( segid "PF1 " and resid 204 and name HD1 ))
(( segid "PF1 " and resid 203 and name HN ))
3.000 1.100 1.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 8.350 ppm2 3.849 CV 1
ASSI { 239}
(( segid "PF1 " and resid 232 and name HN ))
(( segid "PF1 " and resid 231 and name HN ))
2.600 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.32865E-02 ppm1 8.203 ppm2 8.046 CV 1
ASSI { 240}
(( segid "PF1 " and resid 206 and name HN ))
(( segid "PF1 " and resid 207 and name HN ))
2.600 0.900 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.31331E-02 ppm1 8.458 ppm2 8.258 CV 1
ASSI { 241}
(( segid "PF1 " and resid 206 and name HB2 ))
(( segid "PF1 " and resid 207 and name HN ))
2.900 1.100 1.100 peak 241 spectrum 1 weight 0.10000E+01 volume 0.25759E-02 ppm1 8.456 ppm2 1.578 CV 1
ASSI { 242}
(( segid "PF1 " and resid 231 and name HB2 ))
(( segid "PF1 " and resid 230 and name HN ))
3.700 1.700 1.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.56687E-03 ppm1 8.426 ppm2 1.572 CV 1
OR { 242}
(( segid "PF1 " and resid 231 and name HG ))
(( segid "PF1 " and resid 230 and name HN ))
ASSI { 243}
(( segid "PF1 " and resid 206 and name HN ))
(( segid "PF1 " and resid 205 and name HN ))
2.600 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.28909E-02 ppm1 8.502 ppm2 8.248 CV 1
ASSI { 244}
(( segid "PF1 " and resid 213 and name HA ))
(( segid "PF1 " and resid 213 and name HN ))
4.000 2.000 2.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.23256E-03 ppm1 7.754 ppm2 3.827 CV 1
ASSI { 245}
(( segid "PF1 " and resid 212 and name HN ))
(( segid "PF1 " and resid 213 and name HN ))
2.500 0.800 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.37871E-02 ppm1 7.746 ppm2 7.890 CV 1
ASSI { 246}
(( segid "PF1 " and resid 215 and name HN ))
(( segid "PF1 " and resid 217 and name HN ))
4.300 2.300 1.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.23175E-03 ppm1 8.336 ppm2 7.825 CV 1
ASSI { 248}
(( segid "PF1 " and resid 221 and name HD21))
(( segid "PF1 " and resid 221 and name HN ))
2.800 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.16392E-02 ppm1 8.166 ppm2 7.823 CV 1
ASSI { 250}
(( segid "PF1 " and resid 232 and name HN ))
(( segid "PF1 " and resid 229 and name HN ))
3.400 1.500 1.500 peak 250 spectrum 1 weight 0.10000E+01 volume 0.65329E-03 ppm1 8.452 ppm2 8.039 CV 1
ASSI { 252}
(( segid "PF1 " and resid 210 and name HA ))
(( segid "PF1 " and resid 210 and name HN ))
4.200 2.200 1.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.17846E-03 ppm1 8.687 ppm2 4.408 CV 1
ASSI { 253}
(( segid "PF1 " and resid 233 and name HN ))
(( segid "PF1 " and resid 232 and name HN ))
2.800 1.000 1.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.17604E-02 ppm1 8.044 ppm2 8.309 CV 1
ASSI { 255}
(( segid "PF1 " and resid 198 and name HB2 ))
(( segid "PF1 " and resid 198 and name HD21))
3.200 1.300 1.300 peak 255 spectrum 1 weight 0.10000E+01 volume 0.83175E-03 ppm1 7.607 ppm2 2.788 CV 1
ASSI { 260}
(( segid "PF1 " and resid 203 and name HG1 ))
(( segid "PF1 " and resid 203 and name HE21))
3.000 1.200 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.11709E-02 ppm1 7.587 ppm2 2.389 CV 1
OR { 260}
(( segid "PF1 " and resid 203 and name HG2 ))
(( segid "PF1 " and resid 203 and name HE21))
ASSI { 261}
(( segid "PF1 " and resid 203 and name HG1 ))
(( segid "PF1 " and resid 203 and name HE22))
4.600 2.600 1.400 peak 261 spectrum 1 weight 0.10000E+01 volume 0.24790E-03 ppm1 6.914 ppm2 2.410 CV 1
OR { 261}
(( segid "PF1 " and resid 203 and name HG2 ))
(( segid "PF1 " and resid 203 and name HE22))
ASSI { 264}
(( segid "PF1 " and resid 207 and name HD2 ))
(( segid "PF1 " and resid 207 and name HE ))
3.500 1.500 1.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.57413E-03 ppm1 7.324 ppm2 3.125 CV 1
ASSI { 265}
(( segid "PF1 " and resid 207 and name HG1 ))
(( segid "PF1 " and resid 207 and name HE ))
3.400 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.62420E-03 ppm1 7.327 ppm2 1.683 CV 1
OR { 265}
(( segid "PF1 " and resid 207 and name HG2 ))
(( segid "PF1 " and resid 207 and name HE ))
ASSI { 266}
(( segid "PF1 " and resid 208 and name HD1 ))
(( segid "PF1 " and resid 208 and name HE ))
3.100 1.200 1.200 peak 266 spectrum 1 weight 0.10000E+01 volume 0.10659E-02 ppm1 7.580 ppm2 3.330 CV 1
OR { 266}
(( segid "PF1 " and resid 208 and name HD2 ))
(( segid "PF1 " and resid 208 and name HE ))
ASSI { 267}
(( segid "PF1 " and resid 208 and name HG2 ))
(( segid "PF1 " and resid 208 and name HE ))
3.400 1.400 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.72511E-03 ppm1 7.579 ppm2 1.861 CV 1
OR { 267}
(( segid "PF1 " and resid 208 and name HG1 ))
(( segid "PF1 " and resid 208 and name HE ))
ASSI { 268}
(( segid "PF1 " and resid 220 and name HG2 ))
(( segid "PF1 " and resid 220 and name HE ))
4.100 2.100 1.900 peak 268 spectrum 1 weight 0.10000E+01 volume 0.20430E-03 ppm1 7.463 ppm2 1.683 CV 1
OR { 268}
(( segid "PF1 " and resid 220 and name HG1 ))
(( segid "PF1 " and resid 220 and name HE ))
ASSI { 269}
(( segid "PF1 " and resid 220 and name HD2 ))
(( segid "PF1 " and resid 220 and name HE ))
3.600 1.600 1.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.45543E-03 ppm1 7.462 ppm2 3.220 CV 1
OR { 269}
(( segid "PF1 " and resid 220 and name HD1 ))
(( segid "PF1 " and resid 220 and name HE ))
ASSI { 274}
(( segid "PF1 " and resid 224 and name HG2 ))
(( segid "PF1 " and resid 224 and name HE22))
4.000 2.000 2.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.58465E-03 ppm1 6.809 ppm2 2.102 CV 1
OR { 274}
(( segid "PF1 " and resid 224 and name HG1 ))
(( segid "PF1 " and resid 224 and name HE22))
ASSI { 275}
(( segid "PF1 " and resid 226 and name HG2 ))
(( segid "PF1 " and resid 226 and name HE22))
4.300 2.300 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.35611E-03 ppm1 6.821 ppm2 2.288 CV 1
ASSI { 276}
(( segid "PF1 " and resid 224 and name HG2 ))
(( segid "PF1 " and resid 224 and name HE21))
3.000 1.100 1.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 7.465 ppm2 2.104 CV 1
OR { 276}
(( segid "PF1 " and resid 224 and name HG1 ))
(( segid "PF1 " and resid 224 and name HE21))
ASSI { 277}
(( segid "PF1 " and resid 226 and name HG2 ))
(( segid "PF1 " and resid 226 and name HE21))
3.300 1.300 1.300 peak 277 spectrum 1 weight 0.10000E+01 volume 0.80752E-03 ppm1 7.504 ppm2 2.284 CV 1
ASSI { 278}
(( segid "PF1 " and resid 226 and name HE22))
(( segid "PF1 " and resid 226 and name HE21))
1.700 0.400 0.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.26890E-01 ppm1 7.503 ppm2 6.823 CV 1
ASSI { 280}
(( segid "PF1 " and resid 203 and name HE21))
(( segid "PF1 " and resid 203 and name HE22))
1.500 0.300 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.44655E-01 ppm1 6.914 ppm2 7.597 CV 1
ASSI { 3}
( segid "PAH2" and resid 304 and name HD% )
(( segid "PAH2" and resid 308 and name HG12))
3.100 1.200 1.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.99864E-03 ppm1 7.188 ppm2 0.743 CV 1
ASSI { 6}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 329 and name HB1 ))
3.900 1.900 1.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.42713E-03 ppm1 7.068 ppm2 1.781 CV 1
ASSI { 8}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 380 and name HG ))
3.500 1.500 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.64068E-03 ppm1 7.055 ppm2 1.253 CV 1
ASSI { 13}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 313 and name HB1 ))
3.700 1.700 1.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.37967E-03 ppm1 6.949 ppm2 1.941 CV 1
ASSI { 22}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 375 and name HB2 ))
3.000 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.11865E-02 ppm1 6.819 ppm2 2.011 CV 1
ASSI { 24}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 375 and name HB1 ))
3.000 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.10381E-02 ppm1 6.809 ppm2 2.159 CV 1
ASSI { 28}
( segid "PAH2" and resid 335 and name HE% )
(( segid "PAH2" and resid 339 and name HB2 ))
3.400 1.500 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.56259E-03 ppm1 6.705 ppm2 1.933 CV 1
OR { 28}
( segid "PAH2" and resid 335 and name HE% )
(( segid "PAH2" and resid 339 and name HG2 ))
ASSI { 37}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 359 and name HD% )
1.900 0.400 0.400 peak 37 spectrum 1 weight 0.10000E+01 volume 0.17402E-01 ppm1 7.198 ppm2 7.036 CV 1
ASSI { 38}
( segid "PAH2" and resid 376 and name HE% )
(( segid "PAH2" and resid 359 and name HA ))
3.000 1.100 1.100 peak 38 spectrum 1 weight 0.10000E+01 volume 0.14237E-02 ppm1 7.203 ppm2 3.796 CV 1
ASSI { 51}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 328 and name HE% )
2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.10283E-01 ppm1 7.201 ppm2 6.957 CV 1
ASSI { 52}
( segid "PAH2" and resid 376 and name HD% )
(( segid "PAH2" and resid 373 and name HA ))
3.900 1.900 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.50820E-03 ppm1 7.436 ppm2 4.419 CV 1
ASSI { 55}
( segid "PAH2" and resid 304 and name HD% )
(( segid "PAH2" and resid 304 and name HB1 ))
3.100 1.200 1.200 peak 55 spectrum 1 weight 0.10000E+01 volume 0.10184E-02 ppm1 7.186 ppm2 3.187 CV 1
OR { 55}
( segid "PAH2" and resid 304 and name HD% )
(( segid "PAH2" and resid 304 and name HB2 ))
ASSI { 56}
( segid "PAH2" and resid 304 and name HD% )
(( segid "PAH2" and resid 304 and name HB2 ))
3.200 1.200 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 7.188 ppm2 3.144 CV 1
ASSI { 60}
( segid "PAH2" and resid 304 and name HD% )
( segid "PAH2" and resid 308 and name HD1%)
3.000 1.100 1.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14435E-02 ppm1 7.186 ppm2 0.611 CV 1
ASSI { 61}
( segid "PAH2" and resid 304 and name HD% )
(( segid "PAH2" and resid 308 and name HG12))
2.800 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.18291E-02 ppm1 7.197 ppm2 0.809 CV 1
OR { 61}
( segid "PAH2" and resid 304 and name HD% )
( segid "PAH2" and resid 308 and name HG2%)
ASSI { 63}
( segid "PAH2" and resid 304 and name HE% )
( segid "PAH2" and resid 304 and name HD% )
1.600 0.300 0.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.48744E-01 ppm1 7.251 ppm2 7.188 CV 1
ASSI { 64}
( segid "PAH2" and resid 304 and name HE% )
( segid "PAH2" and resid 308 and name HD1%)
3.200 1.300 1.300 peak 64 spectrum 1 weight 0.10000E+01 volume 0.91554E-03 ppm1 7.251 ppm2 0.609 CV 1
ASSI { 67}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 310 and name HB2 ))
2.700 0.900 0.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.26695E-02 ppm1 6.941 ppm2 2.925 CV 1
ASSI { 71}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 314 and name HA ))
3.600 1.600 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.54775E-03 ppm1 7.309 ppm2 3.150 CV 1
ASSI { 72}
( segid "PAH2" and resid 318 and name HD% )
( segid "PAH2" and resid 314 and name HG2%)
2.600 0.900 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.29168E-02 ppm1 7.310 ppm2 0.802 CV 1
ASSI { 73}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 318 and name HA ))
2.800 1.000 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.20763E-02 ppm1 7.310 ppm2 4.892 CV 1
ASSI { 74}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 318 and name HB1 ))
3.200 1.300 1.300 peak 74 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 7.310 ppm2 3.897 CV 1
ASSI { 75}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 318 and name HB2 ))
2.900 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.15325E-02 ppm1 7.310 ppm2 2.451 CV 1
ASSI { 76}
( segid "PAH2" and resid 318 and name HD% )
( segid "PAH2" and resid 318 and name HE% )
2.200 0.600 0.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.79989E-02 ppm1 7.310 ppm2 6.943 CV 1
ASSI { 77}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 318 and name HZ ))
3.000 1.100 1.100 peak 77 spectrum 1 weight 0.10000E+01 volume 0.29267E-02 ppm1 7.310 ppm2 6.853 CV 1
ASSI { 78}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 321 and name HB1 ))
3.700 1.700 1.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.69209E-03 ppm1 7.310 ppm2 2.358 CV 1
OR { 78}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 321 and name HG2 ))
ASSI { 79}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 321 and name HB2 ))
3.400 1.400 1.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.63380E-03 ppm1 7.312 ppm2 2.160 CV 1
ASSI { 80}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 324 and name HB ))
3.600 1.600 1.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.53787E-03 ppm1 7.314 ppm2 1.568 CV 1
ASSI { 81}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 324 and name HB ))
3.800 1.800 1.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.38857E-03 ppm1 7.314 ppm2 1.531 CV 1
OR { 81}
( segid "PAH2" and resid 318 and name HD% )
(( segid "PAH2" and resid 324 and name HG11))
ASSI { 82}
( segid "PAH2" and resid 318 and name HD% )
( segid "PAH2" and resid 324 and name HD1%)
2.900 1.100 1.100 peak 82 spectrum 1 weight 0.10000E+01 volume 0.16710E-02 ppm1 7.312 ppm2 0.752 CV 1
ASSI { 83}
( segid "PAH2" and resid 318 and name HD% )
( segid "PAH2" and resid 324 and name HG2%)
3.600 1.600 1.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.59818E-03 ppm1 7.311 ppm2 0.002 CV 1
ASSI { 91}
( segid "PAH2" and resid 325 and name HD% )
( segid "PAH2" and resid 314 and name HG2%)
2.400 0.700 0.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.42417E-02 ppm1 7.048 ppm2 0.803 CV 1
ASSI { 94}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 325 and name HB1 ))
2.500 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.33221E-02 ppm1 7.050 ppm2 3.123 CV 1
OR { 94}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 325 and name HB2 ))
ASSI { 96}
( segid "PAH2" and resid 325 and name HD% )
( segid "PAH2" and resid 329 and name HD2%)
3.500 1.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.63577E-03 ppm1 7.050 ppm2 0.600 CV 1
ASSI { 97}
( segid "PAH2" and resid 325 and name HE% )
( segid "PAH2" and resid 311 and name HG1%)
2.800 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.18291E-02 ppm1 6.779 ppm2 1.081 CV 1
ASSI { 102}
( segid "PAH2" and resid 325 and name HE% )
( segid "PAH2" and resid 325 and name HD% )
1.900 0.400 0.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.18786E-01 ppm1 6.778 ppm2 7.047 CV 1
ASSI { 116}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 362 and name HG2%)
3.600 1.600 1.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.48744E-03 ppm1 7.204 ppm2 -0.400 CV 1
ASSI { 118}
(( segid "PAH2" and resid 333 and name HD2 ))
(( segid "PAH2" and resid 333 and name HA ))
3.100 1.200 1.200 peak 118 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 7.282 ppm2 4.394 CV 1
ASSI { 120}
( segid "PAH2" and resid 335 and name HD% )
(( segid "PAH2" and resid 335 and name HB1 ))
2.900 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.15029E-02 ppm1 6.842 ppm2 3.239 CV 1
ASSI { 122}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 335 and name HE% )
2.000 0.500 0.500 peak 122 spectrum 1 weight 0.10000E+01 volume 0.12557E-01 ppm1 6.843 ppm2 6.702 CV 1
ASSI { 124}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 353 and name HD1%)
2.600 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.31936E-02 ppm1 6.841 ppm2 0.920 CV 1
OR { 124}
( segid "PAH2" and resid 335 and name HD% )
( segid "PAH2" and resid 353 and name HD2%)
ASSI { 126}
( segid "PAH2" and resid 335 and name HE% )
( segid "PAH2" and resid 353 and name HD1%)
3.700 1.700 1.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.67532E-03 ppm1 6.703 ppm2 0.919 CV 1
OR { 126}
( segid "PAH2" and resid 335 and name HE% )
( segid "PAH2" and resid 353 and name HD2%)
ASSI { 127}
( segid "PAH2" and resid 349 and name HD% )
(( segid "PAH2" and resid 342 and name HA ))
2.900 1.100 1.100 peak 127 spectrum 1 weight 0.10000E+01 volume 0.14732E-02 ppm1 6.903 ppm2 3.877 CV 1
ASSI { 128}
( segid "PAH2" and resid 349 and name HD% )
(( segid "PAH2" and resid 351 and name HA ))
3.500 1.500 1.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.55764E-03 ppm1 6.907 ppm2 4.325 CV 1
ASSI { 129}
( segid "PAH2" and resid 349 and name HD% )
( segid "PAH2" and resid 342 and name HB% )
2.700 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.25707E-02 ppm1 6.905 ppm2 1.421 CV 1
ASSI { 131}
( segid "PAH2" and resid 349 and name HD% )
(( segid "PAH2" and resid 349 and name HB1 ))
2.600 0.900 0.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.25213E-02 ppm1 6.904 ppm2 2.942 CV 1
ASSI { 133}
( segid "PAH2" and resid 349 and name HD% )
( segid "PAH2" and resid 349 and name HE% )
1.900 0.400 0.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.21456E-01 ppm1 6.907 ppm2 6.792 CV 1
ASSI { 134}
( segid "PAH2" and resid 325 and name HE% )
( segid "PAH2" and resid 329 and name HD2%)
3.000 1.200 1.200 peak 134 spectrum 1 weight 0.10000E+01 volume 0.12656E-02 ppm1 6.778 ppm2 0.599 CV 1
ASSI { 135}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 375 and name HG2 ))
3.800 1.800 1.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.44394E-03 ppm1 6.790 ppm2 2.382 CV 1
OR { 135}
( segid "PAH2" and resid 310 and name HE% )
(( segid "PAH2" and resid 375 and name HG1 ))
ASSI { 138}
( segid "PAH2" and resid 349 and name HE% )
(( segid "PAH2" and resid 351 and name HA ))
2.600 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.31639E-02 ppm1 6.792 ppm2 4.329 CV 1
ASSI { 144}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 359 and name HB1 ))
2.800 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.14930E-02 ppm1 7.053 ppm2 3.244 CV 1
ASSI { 145}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 359 and name HA ))
3.000 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 7.056 ppm2 3.796 CV 1
ASSI { 146}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 359 and name HB2 ))
3.000 1.100 1.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.17303E-02 ppm1 7.053 ppm2 2.971 CV 1
ASSI { 147}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 359 and name HE% )
1.700 0.400 0.500 peak 147 spectrum 1 weight 0.10000E+01 volume 0.31738E-01 ppm1 7.056 ppm2 6.820 CV 1
ASSI { 148}
( segid "PAH2" and resid 359 and name HD% )
(( segid "PAH2" and resid 360 and name HA ))
3.300 1.400 1.400 peak 148 spectrum 1 weight 0.10000E+01 volume 0.80382E-03 ppm1 7.057 ppm2 4.005 CV 1
ASSI { 150}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 363 and name HB% )
3.500 1.500 1.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.60015E-03 ppm1 7.055 ppm2 1.199 CV 1
ASSI { 155}
( segid "PAH2" and resid 366 and name HD% )
( segid "PAH2" and resid 324 and name HG2%)
3.500 1.600 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.48250E-03 ppm1 6.638 ppm2 0.002 CV 1
ASSI { 156}
( segid "PAH2" and resid 366 and name HD% )
( segid "PAH2" and resid 362 and name HG2%)
3.400 1.500 1.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.62686E-03 ppm1 6.638 ppm2 -0.406 CV 1
ASSI { 159}
( segid "PAH2" and resid 366 and name HD% )
(( segid "PAH2" and resid 366 and name HA ))
2.700 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.25312E-02 ppm1 6.639 ppm2 4.969 CV 1
ASSI { 160}
( segid "PAH2" and resid 366 and name HD% )
(( segid "PAH2" and resid 366 and name HB1 ))
3.600 1.700 1.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.42911E-03 ppm1 6.641 ppm2 3.763 CV 1
ASSI { 161}
( segid "PAH2" and resid 366 and name HD% )
(( segid "PAH2" and resid 366 and name HB2 ))
3.100 1.200 1.200 peak 161 spectrum 1 weight 0.10000E+01 volume 0.87900E-03 ppm1 6.635 ppm2 2.900 CV 1
ASSI { 163}
( segid "PAH2" and resid 366 and name HD% )
(( segid "PAH2" and resid 366 and name HZ ))
3.300 1.400 1.400 peak 163 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 6.638 ppm2 6.189 CV 1
ASSI { 169}
( segid "PAH2" and resid 366 and name HE% )
( segid "PAH2" and resid 366 and name HD% )
1.800 0.400 0.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.21950E-01 ppm1 6.809 ppm2 6.641 CV 1
ASSI { 170}
( segid "PAH2" and resid 366 and name HE% )
(( segid "PAH2" and resid 366 and name HZ ))
2.400 0.700 0.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.53589E-02 ppm1 6.812 ppm2 6.185 CV 1
ASSI { 172}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 359 and name HD% )
2.600 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.32233E-02 ppm1 7.436 ppm2 7.047 CV 1
ASSI { 175}
( segid "PAH2" and resid 376 and name HD% )
(( segid "PAH2" and resid 376 and name HA ))
2.900 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.13447E-02 ppm1 7.439 ppm2 4.230 CV 1
ASSI { 177}
( segid "PAH2" and resid 376 and name HD% )
(( segid "PAH2" and resid 376 and name HB2 ))
2.900 1.100 1.100 peak 177 spectrum 1 weight 0.10000E+01 volume 0.12260E-02 ppm1 7.442 ppm2 3.394 CV 1
ASSI { 179}
(( segid "PAH2" and resid 328 and name HZ ))
( segid "PAH2" and resid 328 and name HE% )
2.800 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.21357E-02 ppm1 7.441 ppm2 6.951 CV 1
ASSI { 183}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 314 and name HG12))
3.600 1.600 1.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.10381E-02 ppm1 7.029 ppm2 0.362 CV 1
ASSI { 184}
( segid "PAH2" and resid 359 and name HD% )
( segid "PAH2" and resid 362 and name HG2%)
3.500 1.500 1.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.91161E-03 ppm1 7.029 ppm2 -0.404 CV 1
ASSI { 186}
( segid "PAH2" and resid 379 and name HD% )
(( segid "PAH2" and resid 379 and name HA ))
2.700 0.900 0.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.21060E-02 ppm1 7.136 ppm2 4.304 CV 1
ASSI { 187}
( segid "PAH2" and resid 379 and name HD% )
(( segid "PAH2" and resid 379 and name HB1 ))
3.300 1.300 1.300 peak 187 spectrum 1 weight 0.10000E+01 volume 0.91456E-03 ppm1 7.132 ppm2 2.983 CV 1
ASSI { 188}
( segid "PAH2" and resid 379 and name HD% )
(( segid "PAH2" and resid 379 and name HB2 ))
2.900 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.11865E-02 ppm1 7.134 ppm2 2.658 CV 1
ASSI { 189}
( segid "PAH2" and resid 379 and name HD% )
( segid "PAH2" and resid 379 and name HE% )
2.300 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.61403E-02 ppm1 7.134 ppm2 6.653 CV 1
ASSI { 190}
( segid "PAH2" and resid 379 and name HD% )
(( segid "PAH2" and resid 379 and name HZ ))
3.900 1.900 1.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.57643E-03 ppm1 7.134 ppm2 6.269 CV 1
ASSI { 191}
( segid "PAH2" and resid 379 and name HE% )
(( segid "PAH2" and resid 307 and name HA ))
3.100 1.200 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 6.647 ppm2 3.988 CV 1
ASSI { 192}
( segid "PAH2" and resid 379 and name HE% )
( segid "PAH2" and resid 307 and name HB% )
2.900 1.100 1.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.15226E-02 ppm1 6.651 ppm2 1.371 CV 1
ASSI { 194}
( segid "PAH2" and resid 379 and name HE% )
(( segid "PAH2" and resid 379 and name HZ ))
2.500 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.36089E-02 ppm1 6.652 ppm2 6.267 CV 1
ASSI { 200}
( segid "PAH2" and resid 325 and name HD% )
(( segid "PAH2" and resid 366 and name HZ ))
3.600 1.600 1.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.55764E-03 ppm1 7.035 ppm2 6.185 CV 1
ASSI { 204}
( segid "PAH2" and resid 376 and name HD% )
( segid "PAH2" and resid 380 and name HD2%)
3.900 1.900 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.37275E-03 ppm1 7.440 ppm2 0.464 CV 1
ASSI { 207}
( segid "PAH2" and resid 310 and name HD% )
(( segid "PAH2" and resid 307 and name HA ))
4.700 2.800 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.15820E-03 ppm1 6.946 ppm2 3.987 CV 1
ASSI { 210}
( segid "PAH2" and resid 376 and name HE% )
( segid "PAH2" and resid 380 and name HD2%)
2.900 1.000 1.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.17402E-02 ppm1 7.204 ppm2 0.456 CV 1
ASSI { 211}
( segid "PAH2" and resid 318 and name HE% )
(( segid "PAH2" and resid 317 and name HG2 ))
2.900 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.14435E-02 ppm1 6.950 ppm2 0.461 CV 1
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