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} (( segid "PAH2" and resid 326 and name HB1 )) (( 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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