NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
11840 |
1s5r   |
4635 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
( segid "PAH " and resid 380 and name HD1%)
( segid "PAH " and resid 359 and name HD% )
2.400 0.700 0.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.50585E-02 ppm1 7.106 ppm2 0.773 CV 1
OR { 2}
( segid "PAH " and resid 380 and name HD2%)
( segid "PAH " and resid 359 and name HD% )
ASSI { 4}
(( segid "PAH " and resid 359 and name HB2 ))
( segid "PAH " and resid 359 and name HD% )
2.500 0.800 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.35011E-02 ppm1 7.102 ppm2 3.071 CV 1
ASSI { 6}
(( segid "PAH " and resid 359 and name HA ))
( segid "PAH " and resid 359 and name HD% )
2.700 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.21280E-02 ppm1 7.103 ppm2 3.877 CV 1
ASSI { 7}
(( segid "PAH " and resid 376 and name HA ))
( segid "PAH " and resid 379 and name HD% )
2.200 0.600 0.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.61225E-02 ppm1 7.108 ppm2 4.176 CV 1
ASSI { 11}
( segid "PAH " and resid 363 and name HB% )
( segid "PAH " and resid 359 and name HD% )
3.100 1.200 1.200 peak 11 spectrum 1 weight 0.10000E+01 volume 0.99267E-03 ppm1 7.106 ppm2 1.174 CV 1
ASSI { 15}
(( segid "PAH " and resid 349 and name HA ))
( segid "PAH " and resid 349 and name HD% )
2.600 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.30197E-02 ppm1 6.933 ppm2 4.515 CV 1
ASSI { 16}
(( segid "PAH " and resid 335 and name HA ))
( segid "PAH " and resid 335 and name HD% )
2.800 1.000 1.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.19973E-02 ppm1 6.891 ppm2 4.052 CV 1
ASSI { 17}
(( segid "PAH " and resid 335 and name HB1 ))
( segid "PAH " and resid 335 and name HD% )
2.700 0.900 0.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.20388E-02 ppm1 6.891 ppm2 3.185 CV 1
ASSI { 20}
(( segid "PAH " and resid 353 and name HB2 ))
( segid "PAH " and resid 335 and name HD% )
3.400 1.400 1.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.11532E-02 ppm1 6.894 ppm2 1.566 CV 1
ASSI { 23}
(( segid "PAH " and resid 310 and name HA ))
( segid "PAH " and resid 310 and name HD% )
2.700 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.23598E-02 ppm1 7.009 ppm2 4.453 CV 1
ASSI { 24}
(( segid "PAH " and resid 325 and name HA ))
( segid "PAH " and resid 325 and name HD% )
2.400 0.700 0.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.47672E-02 ppm1 7.048 ppm2 4.203 CV 1
ASSI { 25}
(( segid "PAH " and resid 310 and name HB1 ))
( segid "PAH " and resid 310 and name HD% )
2.900 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.13018E-02 ppm1 7.008 ppm2 3.375 CV 1
ASSI { 26}
(( segid "PAH " and resid 310 and name HB2 ))
( segid "PAH " and resid 310 and name HD% )
2.700 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.24371E-02 ppm1 7.014 ppm2 2.970 CV 1
ASSI { 27}
(( segid "PAH " and resid 325 and name HB2 ))
( segid "PAH " and resid 325 and name HD% )
2.300 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.80244E-02 ppm1 7.040 ppm2 3.086 CV 1
ASSI { 32}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 325 and name HD% )
2.300 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.56767E-02 ppm1 7.042 ppm2 0.752 CV 1
ASSI { 36}
( segid "PAH " and resid 329 and name HD2%)
( segid "PAH " and resid 325 and name HE% )
2.700 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.23123E-02 ppm1 6.715 ppm2 0.534 CV 1
ASSI { 38}
(( segid "PAH " and resid 315 and name HG1 ))
( segid "PAH " and resid 325 and name HE% )
2.600 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.30256E-02 ppm1 6.710 ppm2 0.878 CV 1
ASSI { 39}
( segid "PAH " and resid 311 and name HG1%)
( segid "PAH " and resid 325 and name HE% )
2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.22766E-02 ppm1 6.715 ppm2 1.031 CV 1
ASSI { 48}
( segid "PAH " and resid 373 and name HD1%)
( segid "PAH " and resid 359 and name HE% )
2.800 1.000 1.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.21993E-02 ppm1 6.859 ppm2 0.952 CV 1
ASSI { 50}
(( segid "PAH " and resid 375 and name HB2 ))
( segid "PAH " and resid 310 and name HE% )
2.600 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.29305E-02 ppm1 6.870 ppm2 2.095 CV 1
ASSI { 51}
(( segid "PAH " and resid 377 and name HA1 ))
( segid "PAH " and resid 359 and name HE% )
2.800 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.21340E-02 ppm1 6.854 ppm2 4.098 CV 1
ASSI { 52}
(( segid "PAH " and resid 351 and name HA ))
( segid "PAH " and resid 349 and name HE% )
2.500 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.38994E-02 ppm1 6.806 ppm2 4.341 CV 1
ASSI { 54}
( segid "PAH " and resid 342 and name HB% )
( segid "PAH " and resid 349 and name HE% )
2.900 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.21340E-02 ppm1 6.803 ppm2 1.420 CV 1
ASSI { 55}
(( segid "PAH " and resid 351 and name HG2 ))
( segid "PAH " and resid 349 and name HE% )
3.400 1.500 1.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.14682E-02 ppm1 6.804 ppm2 1.919 CV 1
ASSI { 56}
(( segid "PAH " and resid 351 and name HB1 ))
( segid "PAH " and resid 349 and name HE% )
3.100 1.200 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.13434E-02 ppm1 6.809 ppm2 2.286 CV 1
ASSI { 57}
(( segid "PAH " and resid 341 and name HB2 ))
( segid "PAH " and resid 349 and name HE% )
3.400 1.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.72519E-03 ppm1 6.808 ppm2 2.449 CV 1
ASSI { 58}
(( segid "PAH " and resid 341 and name HB1 ))
( segid "PAH " and resid 349 and name HE% )
3.300 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.72519E-03 ppm1 6.803 ppm2 2.724 CV 1
ASSI { 59}
(( segid "PAH " and resid 349 and name HB1 ))
( segid "PAH " and resid 349 and name HE% )
4.000 2.000 2.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.60036E-03 ppm1 6.805 ppm2 2.955 CV 1
ASSI { 60}
( segid "PAH " and resid 349 and name HD% )
( segid "PAH " and resid 349 and name HE% )
1.800 0.400 0.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.21340E-01 ppm1 6.805 ppm2 6.942 CV 1
ASSI { 62}
(( segid "PAH " and resid 349 and name HB2 ))
( segid "PAH " and resid 349 and name HD% )
2.400 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.50823E-02 ppm1 6.934 ppm2 2.794 CV 1
ASSI { 63}
(( segid "PAH " and resid 349 and name HB1 ))
( segid "PAH " and resid 349 and name HD% )
2.200 0.600 0.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.67764E-02 ppm1 6.931 ppm2 2.940 CV 1
ASSI { 64}
(( segid "PAH " and resid 342 and name HA ))
( segid "PAH " and resid 349 and name HD% )
2.500 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.32633E-02 ppm1 6.935 ppm2 3.927 CV 1
ASSI { 69}
( segid "PAH " and resid 373 and name HD1%)
( segid "PAH " and resid 366 and name HD% )
3.400 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.58372E-03 ppm1 6.656 ppm2 0.953 CV 1
ASSI { 72}
(( segid "PAH " and resid 366 and name HB2 ))
( segid "PAH " and resid 366 and name HD% )
3.200 1.300 1.300 peak 72 spectrum 1 weight 0.10000E+01 volume 0.73710E-03 ppm1 6.658 ppm2 2.903 CV 1
ASSI { 74}
(( segid "PAH " and resid 366 and name HB1 ))
( segid "PAH " and resid 366 and name HD% )
3.400 1.400 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.68358E-03 ppm1 6.659 ppm2 3.769 CV 1
ASSI { 76}
(( segid "PAH " and resid 366 and name HA ))
( segid "PAH " and resid 366 and name HD% )
2.500 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.38875E-02 ppm1 6.656 ppm2 4.971 CV 1
ASSI { 80}
(( segid "PAH " and resid 359 and name HA ))
( segid "PAH " and resid 376 and name HE% )
3.200 1.300 1.300 peak 80 spectrum 1 weight 0.10000E+01 volume 0.82626E-03 ppm1 7.145 ppm2 3.859 CV 1
ASSI { 83}
( segid "PAH " and resid 324 and name HG2%)
( segid "PAH " and resid 366 and name HD% )
3.400 1.500 1.500 peak 83 spectrum 1 weight 0.10000E+01 volume 0.60036E-03 ppm1 6.656 ppm2 0.084 CV 1
ASSI { 84}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 366 and name HD% )
3.700 3.700 2.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.73710E-03 ppm1 6.657 ppm2 -0.167 CV 1
ASSI { 88}
( segid "PAH " and resid 307 and name HB% )
( segid "PAH " and resid 379 and name HE% )
3.200 1.300 1.300 peak 88 spectrum 1 weight 0.10000E+01 volume 0.92134E-03 ppm1 6.440 ppm2 1.622 CV 1
ASSI { 89}
(( segid "PAH " and resid 306 and name HB2 ))
( segid "PAH " and resid 379 and name HE% )
3.900 1.900 1.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.26511E-03 ppm1 6.446 ppm2 3.320 CV 1
OR { 89}
(( segid "PAH " and resid 306 and name HB1 ))
( segid "PAH " and resid 379 and name HE% )
ASSI { 93}
( segid "PAH " and resid 324 and name HG2%)
( segid "PAH " and resid 366 and name HE% )
3.000 1.100 1.100 peak 93 spectrum 1 weight 0.10000E+01 volume 0.12958E-02 ppm1 6.825 ppm2 0.074 CV 1
ASSI { 95}
( segid "PAH " and resid 314 and name HD1%)
( segid "PAH " and resid 366 and name HE% )
3.200 1.300 1.300 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10046E-02 ppm1 6.824 ppm2 -0.011 CV 1
ASSI { 100}
(( segid "PAH " and resid 318 and name HA ))
( segid "PAH " and resid 318 and name HD% )
3.000 1.100 1.100 peak 100 spectrum 1 weight 0.10000E+01 volume 0.16346E-02 ppm1 7.297 ppm2 4.897 CV 1
ASSI { 101}
(( segid "PAH " and resid 318 and name HB1 ))
( segid "PAH " and resid 318 and name HD% )
3.000 1.100 1.100 peak 101 spectrum 1 weight 0.10000E+01 volume 0.11591E-02 ppm1 7.284 ppm2 3.900 CV 1
ASSI { 102}
(( segid "PAH " and resid 314 and name HA ))
( segid "PAH " and resid 318 and name HD% )
3.300 1.300 1.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.68953E-03 ppm1 7.298 ppm2 3.197 CV 1
ASSI { 103}
(( segid "PAH " and resid 318 and name HB2 ))
( segid "PAH " and resid 318 and name HD% )
3.000 1.100 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.13612E-02 ppm1 7.301 ppm2 2.431 CV 1
ASSI { 104}
(( segid "PAH " and resid 321 and name HB2 ))
( segid "PAH " and resid 318 and name HD% )
3.600 1.700 1.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.47315E-03 ppm1 7.296 ppm2 2.136 CV 1
ASSI { 105}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 318 and name HD% )
2.800 1.000 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.16881E-02 ppm1 7.294 ppm2 0.764 CV 1
ASSI { 108}
(( segid "PAH " and resid 376 and name HA ))
( segid "PAH " and resid 376 and name HD% )
2.800 1.000 1.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.16465E-02 ppm1 7.407 ppm2 4.143 CV 1
ASSI { 109}
(( segid "PAH " and resid 376 and name HB1 ))
( segid "PAH " and resid 376 and name HD% )
2.800 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.17773E-02 ppm1 7.409 ppm2 4.031 CV 1
ASSI { 110}
(( segid "PAH " and resid 376 and name HB2 ))
( segid "PAH " and resid 376 and name HD% )
3.000 1.100 1.100 peak 110 spectrum 1 weight 0.10000E+01 volume 0.13731E-02 ppm1 7.413 ppm2 3.372 CV 1
ASSI { 111}
( segid "PAH " and resid 380 and name HD2%)
( segid "PAH " and resid 376 and name HD% )
2.800 1.000 1.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.14860E-02 ppm1 7.411 ppm2 0.776 CV 1
OR { 111}
( segid "PAH " and resid 380 and name HD1%)
( segid "PAH " and resid 376 and name HD% )
ASSI { 113}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 376 and name HD% )
3.500 1.500 1.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.65386E-03 ppm1 7.406 ppm2 -0.176 CV 1
ASSI { 114}
(( segid "PAH " and resid 373 and name HA ))
( segid "PAH " and resid 376 and name HD% )
3.800 1.800 1.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.46840E-03 ppm1 7.416 ppm2 4.428 CV 1
ASSI { 115}
(( segid "PAH " and resid 379 and name HB2 ))
( segid "PAH " and resid 379 and name HD% )
2.700 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.21221E-02 ppm1 7.113 ppm2 2.408 CV 1
ASSI { 118}
(( segid "PAH " and resid 328 and name HB1 ))
( segid "PAH " and resid 328 and name HD% )
3.000 1.100 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.11651E-02 ppm1 6.868 ppm2 3.441 CV 1
ASSI { 125}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 376 and name HZ ))
3.300 1.400 1.400 peak 125 spectrum 1 weight 0.10000E+01 volume 0.82027E-03 ppm1 6.792 ppm2 0.560 CV 1
OR { 125}
( segid "PAH " and resid 332 and name HD2%)
(( segid "PAH " and resid 376 and name HZ ))
ASSI { 135}
(( segid "PAH " and resid 333 and name HA ))
(( segid "PAH " and resid 333 and name HD2 ))
3.200 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.11056E-02 ppm1 7.149 ppm2 4.394 CV 1
ASSI { 137}
(( segid "PAH " and resid 333 and name HB2 ))
(( segid "PAH " and resid 333 and name HD2 ))
3.400 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.67169E-03 ppm1 7.147 ppm2 3.268 CV 1
OR { 137}
(( segid "PAH " and resid 333 and name HB1 ))
(( segid "PAH " and resid 333 and name HD2 ))
ASSI { 142}
(( segid "PAH " and resid 359 and name HB2 ))
( segid "PAH " and resid 376 and name HD% )
4.300 2.300 1.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.16941E-03 ppm1 7.408 ppm2 3.064 CV 1
ASSI { 144}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 376 and name HE% )
4.000 2.000 2.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.29899E-03 ppm1 7.147 ppm2 0.421 CV 1
ASSI { 147}
(( segid "PAH " and resid 306 and name HA ))
(( segid "PAH " and resid 306 and name HD2 ))
2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.25085E-02 ppm1 7.556 ppm2 4.807 CV 1
ASSI { 148}
(( segid "PAH " and resid 306 and name HB1 ))
(( segid "PAH " and resid 306 and name HD2 ))
3.400 1.400 1.400 peak 148 spectrum 1 weight 0.10000E+01 volume 0.80244E-03 ppm1 7.549 ppm2 3.356 CV 1
OR { 148}
(( segid "PAH " and resid 306 and name HB2 ))
(( segid "PAH " and resid 306 and name HD2 ))
ASSI { 155}
(( segid "PAH " and resid 354 and name HA ))
( segid "PAH " and resid 335 and name HE% )
3.400 1.400 1.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.63008E-03 ppm1 6.698 ppm2 4.666 CV 1
ASSI { 159}
(( segid "PAH " and resid 372 and name HA ))
( segid "PAH " and resid 310 and name HE% )
2.600 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.30850E-02 ppm1 6.863 ppm2 4.380 CV 1
ASSI { 160}
(( segid "PAH " and resid 377 and name HA2 ))
( segid "PAH " and resid 359 and name HE% )
3.100 1.200 1.200 peak 160 spectrum 1 weight 0.10000E+01 volume 0.10699E-02 ppm1 6.854 ppm2 3.795 CV 1
ASSI { 162}
(( segid "PAH " and resid 328 and name HB2 ))
( segid "PAH " and resid 328 and name HD% )
2.900 1.100 1.100 peak 162 spectrum 1 weight 0.10000E+01 volume 0.14623E-02 ppm1 6.882 ppm2 2.988 CV 1
ASSI { 163}
(( segid "PAH " and resid 349 and name HB2 ))
( segid "PAH " and resid 349 and name HE% )
3.900 1.900 1.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.58966E-03 ppm1 6.807 ppm2 2.802 CV 1
ASSI { 165}
(( segid "PAH " and resid 342 and name HA ))
( segid "PAH " and resid 349 and name HE% )
4.000 2.000 2.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.39528E-03 ppm1 6.810 ppm2 3.941 CV 1
ASSI { 166}
(( segid "PAH " and resid 338 and name HA ))
( segid "PAH " and resid 349 and name HE% )
3.100 1.200 1.200 peak 166 spectrum 1 weight 0.10000E+01 volume 0.12423E-02 ppm1 6.810 ppm2 4.154 CV 1
ASSI { 168}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 366 and name HE% )
4.300 2.300 1.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.36081E-03 ppm1 6.824 ppm2 -0.147 CV 1
ASSI { 171}
(( segid "PAH " and resid 359 and name HB1 ))
( segid "PAH " and resid 359 and name HE% )
4.300 2.300 1.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.34298E-03 ppm1 6.859 ppm2 3.262 CV 1
ASSI { 172}
(( segid "PAH " and resid 373 and name HG ))
( segid "PAH " and resid 359 and name HE% )
3.600 1.600 1.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.46721E-03 ppm1 6.853 ppm2 1.854 CV 1
ASSI { 173}
(( segid "PAH " and resid 372 and name HB1 ))
( segid "PAH " and resid 310 and name HE% )
4.000 2.000 2.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.26986E-03 ppm1 6.858 ppm2 1.645 CV 1
ASSI { 177}
(( segid "PAH " and resid 315 and name HE1 ))
( segid "PAH " and resid 325 and name HE% )
3.600 1.600 1.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.71328E-03 ppm1 6.707 ppm2 2.795 CV 1
OR { 177}
(( segid "PAH " and resid 315 and name HE2 ))
( segid "PAH " and resid 325 and name HE% )
ASSI { 182}
( segid "PAH " and resid 372 and name HD2%)
( segid "PAH " and resid 366 and name HD% )
3.500 1.500 1.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.55994E-03 ppm1 6.664 ppm2 0.213 CV 1
ASSI { 183}
( segid "PAH " and resid 353 and name HD2%)
( segid "PAH " and resid 335 and name HD% )
2.700 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.27878E-02 ppm1 6.890 ppm2 0.882 CV 1
ASSI { 184}
(( segid "PAH " and resid 307 and name HA ))
(( segid "PAH " and resid 379 and name HZ ))
3.500 1.600 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.54211E-03 ppm1 6.069 ppm2 4.141 CV 1
ASSI { 185}
(( segid "PAH " and resid 306 and name HB2 ))
(( segid "PAH " and resid 379 and name HZ ))
3.700 1.700 1.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.41431E-03 ppm1 6.067 ppm2 3.350 CV 1
OR { 185}
(( segid "PAH " and resid 306 and name HB1 ))
(( segid "PAH " and resid 379 and name HZ ))
ASSI { 190}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 376 and name HZ ))
4.000 2.000 2.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.30137E-03 ppm1 6.795 ppm2 0.403 CV 1
ASSI { 194}
(( segid "PAH " and resid 372 and name HB2 ))
( segid "PAH " and resid 366 and name HD% )
3.500 1.600 1.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.44403E-03 ppm1 6.657 ppm2 1.032 CV 1
ASSI { 197}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 318 and name HZ ))
3.700 1.800 1.800 peak 197 spectrum 1 weight 0.10000E+01 volume 0.52308E-03 ppm1 6.731 ppm2 0.736 CV 1
ASSI { 198}
( segid "PAH " and resid 372 and name HD2%)
( segid "PAH " and resid 366 and name HE% )
3.500 1.500 1.500 peak 198 spectrum 1 weight 0.10000E+01 volume 0.52130E-03 ppm1 6.809 ppm2 0.206 CV 1
ASSI { 2}
(( segid "PAH " and resid 324 and name HB ))
( segid "PAH " and resid 324 and name HG2%)
2.200 0.600 0.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.96630E-02 ppm1 0.082 ppm2 1.556 CV 1
OR { 2}
(( segid "PAH " and resid 324 and name HG11))
( segid "PAH " and resid 324 and name HG2%)
ASSI { 4}
(( segid "PAH " and resid 365 and name HB2 ))
( segid "PAH " and resid 324 and name HG2%)
4.300 2.300 1.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.32495E-03 ppm1 0.085 ppm2 1.326 CV 1
ASSI { 5}
( segid "PAH " and resid 365 and name HD2%)
( segid "PAH " and resid 324 and name HG2%)
2.300 0.700 0.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.59573E-02 ppm1 0.084 ppm2 0.728 CV 1
ASSI { 6}
( segid "PAH " and resid 324 and name HD1%)
( segid "PAH " and resid 324 and name HG2%)
2.200 0.600 0.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.97484E-02 ppm1 0.082 ppm2 0.805 CV 1
ASSI { 11}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 331 and name HD1%)
2.500 0.800 0.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.35915E-02 ppm1 0.687 ppm2 3.870 CV 1
ASSI { 12}
(( segid "PAH " and resid 331 and name HA ))
( segid "PAH " and resid 331 and name HD1%)
3.500 1.500 1.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.16247E-02 ppm1 0.686 ppm2 3.717 CV 1
ASSI { 13}
(( segid "PAH " and resid 362 and name HA ))
( segid "PAH " and resid 331 and name HD1%)
2.800 1.000 1.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.18442E-02 ppm1 0.689 ppm2 2.949 CV 1
ASSI { 14}
(( segid "PAH " and resid 331 and name HG11))
( segid "PAH " and resid 331 and name HD1%)
2.100 0.600 0.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.96341E-02 ppm1 0.686 ppm2 1.747 CV 1
OR { 14}
(( segid "PAH " and resid 331 and name HB ))
( segid "PAH " and resid 331 and name HD1%)
ASSI { 15}
(( segid "PAH " and resid 361 and name HG2 ))
( segid "PAH " and resid 331 and name HD1%)
3.300 1.400 1.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.15934E-02 ppm1 0.685 ppm2 2.316 CV 1
ASSI { 16}
(( segid "PAH " and resid 361 and name HB2 ))
( segid "PAH " and resid 331 and name HD1%)
2.400 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.46747E-02 ppm1 0.690 ppm2 2.045 CV 1
ASSI { 17}
(( segid "PAH " and resid 331 and name HG12))
( segid "PAH " and resid 331 and name HD1%)
2.300 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.56723E-02 ppm1 0.687 ppm2 1.032 CV 1
ASSI { 18}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 331 and name HD1%)
2.800 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.33635E-02 ppm1 0.688 ppm2 0.425 CV 1
ASSI { 19}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 331 and name HD1%)
3.400 1.500 1.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.70977E-03 ppm1 0.688 ppm2 -1.133 CV 1
ASSI { 20}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 331 and name HD1%)
3.300 1.400 1.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.64704E-03 ppm1 0.688 ppm2 -0.158 CV 1
ASSI { 21}
(( segid "PAH " and resid 297 and name HG1 ))
(( segid "PAH " and resid 297 and name HA ))
2.800 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.25853E-02 ppm1 4.307 ppm2 2.341 CV 1
OR { 21}
(( segid "PAH " and resid 297 and name HG2 ))
(( segid "PAH " and resid 297 and name HA ))
ASSI { 23}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 377 and name HA1 ))
3.000 1.100 1.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.91501E-03 ppm1 4.094 ppm2 0.778 CV 1
OR { 23}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 377 and name HA1 ))
ASSI { 24}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 377 and name HA2 ))
3.200 1.300 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.82661E-03 ppm1 3.799 ppm2 0.789 CV 1
OR { 24}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 377 and name HA2 ))
ASSI { 25}
(( segid "PAH " and resid 377 and name HA2 ))
(( segid "PAH " and resid 377 and name HA1 ))
2.100 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.74681E-02 ppm1 4.091 ppm2 3.795 CV 1
ASSI { 27}
( segid "PAH " and resid 310 and name HE% )
( segid "PAH " and resid 314 and name HD1%)
2.500 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.43326E-02 ppm1 -0.006 ppm2 -1.130 CV 1
ASSI { 30}
(( segid "PAH " and resid 314 and name HG12))
( segid "PAH " and resid 314 and name HD1%)
2.300 0.600 0.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.68124E-02 ppm1 -0.005 ppm2 0.545 CV 1
ASSI { 31}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 314 and name HD1%)
2.300 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.60428E-02 ppm1 -0.006 ppm2 0.761 CV 1
ASSI { 32}
(( segid "PAH " and resid 314 and name HG11))
( segid "PAH " and resid 314 and name HD1%)
2.400 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.51022E-02 ppm1 -0.005 ppm2 1.025 CV 1
ASSI { 33}
(( segid "PAH " and resid 314 and name HB ))
( segid "PAH " and resid 314 and name HD1%)
2.800 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.23915E-02 ppm1 -0.007 ppm2 1.774 CV 1
ASSI { 34}
(( segid "PAH " and resid 314 and name HA ))
( segid "PAH " and resid 314 and name HD1%)
3.700 1.700 1.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.62709E-03 ppm1 -0.008 ppm2 3.194 CV 1
ASSI { 37}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 353 and name HB2 ))
2.900 1.100 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.20409E-02 ppm1 1.542 ppm2 0.806 CV 1
ASSI { 38}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 353 and name HB1 ))
2.500 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.46177E-02 ppm1 1.659 ppm2 0.901 CV 1
OR { 38}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 353 and name HB1 ))
ASSI { 41}
(( segid "PAH " and resid 353 and name HB1 ))
(( segid "PAH " and resid 353 and name HB2 ))
1.900 0.400 0.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.13197E-01 ppm1 1.538 ppm2 1.660 CV 1
ASSI { 42}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 353 and name HB1 ))
2.700 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.26081E-02 ppm1 1.665 ppm2 4.640 CV 1
ASSI { 43}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 353 and name HB2 ))
2.900 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.18242E-02 ppm1 1.548 ppm2 4.634 CV 1
ASSI { 44}
( segid "PAH " and resid 366 and name HD% )
( segid "PAH " and resid 324 and name HD1%)
3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.33065E-03 ppm1 0.819 ppm2 -1.323 CV 1
ASSI { 45}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 324 and name HD1%)
2.900 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.11202E-02 ppm1 0.811 ppm2 -1.173 CV 1
ASSI { 46}
( segid "PAH " and resid 318 and name HE% )
( segid "PAH " and resid 324 and name HD1%)
3.000 1.100 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.14879E-02 ppm1 0.808 ppm2 -1.097 CV 1
ASSI { 47}
( segid "PAH " and resid 318 and name HD% )
( segid "PAH " and resid 324 and name HD1%)
3.300 1.400 1.400 peak 47 spectrum 1 weight 0.10000E+01 volume 0.75252E-03 ppm1 0.807 ppm2 -0.701 CV 1
ASSI { 49}
(( segid "PAH " and resid 324 and name HG12))
( segid "PAH " and resid 324 and name HD1%)
2.200 0.600 0.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.89504E-02 ppm1 0.812 ppm2 1.161 CV 1
ASSI { 50}
(( segid "PAH " and resid 324 and name HG11))
( segid "PAH " and resid 324 and name HD1%)
2.000 0.500 0.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.13368E-01 ppm1 0.809 ppm2 1.547 CV 1
OR { 50}
(( segid "PAH " and resid 324 and name HB ))
( segid "PAH " and resid 324 and name HD1%)
ASSI { 51}
(( segid "PAH " and resid 321 and name HB2 ))
( segid "PAH " and resid 324 and name HD1%)
3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.19212E-02 ppm1 0.813 ppm2 2.174 CV 1
ASSI { 52}
(( segid "PAH " and resid 321 and name HG2 ))
( segid "PAH " and resid 324 and name HD1%)
2.500 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.40476E-02 ppm1 0.808 ppm2 2.360 CV 1
OR { 52}
(( segid "PAH " and resid 321 and name HB1 ))
( segid "PAH " and resid 324 and name HD1%)
ASSI { 53}
(( segid "PAH " and resid 321 and name HG1 ))
( segid "PAH " and resid 324 and name HD1%)
3.000 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.18927E-02 ppm1 0.809 ppm2 2.459 CV 1
ASSI { 59}
(( segid "PAH " and resid 366 and name HA ))
( segid "PAH " and resid 324 and name HD1%)
3.600 1.600 1.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.49882E-03 ppm1 0.813 ppm2 4.954 CV 1
ASSI { 60}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HD1 ))
2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.10261E-01 ppm1 3.211 ppm2 1.563 CV 1
OR { 60}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HD2 ))
ASSI { 61}
(( segid "PAH " and resid 364 and name HG1 ))
(( segid "PAH " and resid 364 and name HD1 ))
2.000 0.500 0.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.17159E-01 ppm1 3.213 ppm2 1.818 CV 1
OR { 61}
(( segid "PAH " and resid 364 and name HG1 ))
(( segid "PAH " and resid 364 and name HD2 ))
OR { 61}
(( segid "PAH " and resid 364 and name HB2 ))
(( segid "PAH " and resid 364 and name HD1 ))
OR { 61}
(( segid "PAH " and resid 364 and name HB1 ))
(( segid "PAH " and resid 364 and name HD1 ))
ASSI { 62}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 364 and name HD2 ))
3.100 1.200 1.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.13055E-02 ppm1 3.215 ppm2 3.937 CV 1
OR { 62}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 364 and name HD1 ))
ASSI { 63}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HD2 ))
3.300 1.400 1.400 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17302E-02 ppm1 3.211 ppm2 4.028 CV 1
OR { 63}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HD1 ))
ASSI { 64}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 340 and name HD1 ))
2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.82950E-02 ppm1 3.151 ppm2 1.577 CV 1
OR { 64}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 340 and name HD2 ))
ASSI { 65}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 340 and name HD2 ))
2.300 0.600 0.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.70405E-02 ppm1 3.149 ppm2 1.695 CV 1
OR { 65}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 340 and name HD1 ))
ASSI { 66}
(( segid "PAH " and resid 340 and name HB1 ))
(( segid "PAH " and resid 340 and name HD1 ))
2.200 0.600 0.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.94062E-02 ppm1 3.152 ppm2 1.880 CV 1
OR { 66}
(( segid "PAH " and resid 340 and name HB1 ))
(( segid "PAH " and resid 340 and name HD2 ))
ASSI { 70}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 340 and name HD2 ))
2.900 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.18499E-02 ppm1 3.153 ppm2 3.891 CV 1
OR { 70}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 340 and name HD1 ))
ASSI { 71}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HD1 ))
3.200 1.300 1.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.23117E-02 ppm1 3.151 ppm2 4.057 CV 1
OR { 71}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HD2 ))
ASSI { 73}
( segid "PAH " and resid 296 and name HD2%)
(( segid "PAH " and resid 296 and name HB2 ))
2.400 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.70977E-02 ppm1 1.620 ppm2 0.896 CV 1
OR { 73}
( segid "PAH " and resid 296 and name HD2%)
(( segid "PAH " and resid 296 and name HB1 ))
ASSI { 75}
(( segid "PAH " and resid 362 and name HA ))
(( segid "PAH " and resid 365 and name HB1 ))
3.700 1.700 1.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.57578E-03 ppm1 1.450 ppm2 2.949 CV 1
ASSI { 79}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 365 and name HB1 ))
2.600 0.900 0.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.28219E-02 ppm1 1.456 ppm2 0.723 CV 1
ASSI { 82}
(( segid "PAH " and resid 365 and name HB2 ))
(( segid "PAH " and resid 365 and name HB1 ))
2.000 0.500 0.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.82950E-02 ppm1 1.448 ppm2 1.320 CV 1
ASSI { 84}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 373 and name HB1 ))
3.300 1.400 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.70688E-03 ppm1 2.164 ppm2 0.795 CV 1
ASSI { 88}
(( segid "PAH " and resid 373 and name HB1 ))
(( segid "PAH " and resid 373 and name HB2 ))
2.200 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.51877E-02 ppm1 1.707 ppm2 2.165 CV 1
ASSI { 90}
( segid "PAH " and resid 373 and name HD1%)
(( segid "PAH " and resid 373 and name HB2 ))
2.700 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.23602E-02 ppm1 1.712 ppm2 0.965 CV 1
ASSI { 93}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 373 and name HB2 ))
3.200 1.300 1.300 peak 93 spectrum 1 weight 0.10000E+01 volume 0.10233E-02 ppm1 1.710 ppm2 4.422 CV 1
ASSI { 95}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 373 and name HB1 ))
3.900 1.900 1.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.88933E-03 ppm1 2.161 ppm2 3.980 CV 1
ASSI { 100}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HE2 ))
2.400 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.60713E-02 ppm1 3.054 ppm2 1.466 CV 1
OR { 100}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HE2 ))
OR { 100}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HE1 ))
OR { 100}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HE1 ))
ASSI { 101}
(( segid "PAH " and resid 367 and name HD2 ))
(( segid "PAH " and resid 367 and name HE1 ))
2.300 0.600 0.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.73256E-02 ppm1 3.056 ppm2 1.749 CV 1
OR { 101}
(( segid "PAH " and resid 367 and name HD2 ))
(( segid "PAH " and resid 367 and name HE2 ))
OR { 101}
(( segid "PAH " and resid 367 and name HD1 ))
(( segid "PAH " and resid 367 and name HE1 ))
OR { 101}
(( segid "PAH " and resid 367 and name HD1 ))
(( segid "PAH " and resid 367 and name HE2 ))
ASSI { 102}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 367 and name HE2 ))
3.300 1.300 1.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.14281E-02 ppm1 3.055 ppm2 1.860 CV 1
OR { 102}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 367 and name HE1 ))
ASSI { 103}
(( segid "PAH " and resid 367 and name HB1 ))
(( segid "PAH " and resid 367 and name HE2 ))
3.700 1.700 1.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.59288E-03 ppm1 3.054 ppm2 2.013 CV 1
OR { 103}
(( segid "PAH " and resid 367 and name HB1 ))
(( segid "PAH " and resid 367 and name HE1 ))
ASSI { 104}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HE1 ))
3.700 1.800 1.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.70688E-03 ppm1 3.054 ppm2 4.029 CV 1
OR { 104}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HE2 ))
ASSI { 105}
(( segid "PAH " and resid 361 and name HG1 ))
( segid "PAH " and resid 331 and name HD1%)
3.700 1.700 1.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.85800E-03 ppm1 0.686 ppm2 2.685 CV 1
ASSI { 108}
(( segid "PAH " and resid 320 and name HA2 ))
(( segid "PAH " and resid 320 and name HA1 ))
2.100 0.600 0.600 peak 108 spectrum 1 weight 0.10000E+01 volume 0.72113E-02 ppm1 4.260 ppm2 3.805 CV 1
ASSI { 110}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 313 and name HE1 ))
3.200 1.300 1.300 peak 110 spectrum 1 weight 0.10000E+01 volume 0.91501E-03 ppm1 2.961 ppm2 0.532 CV 1
ASSI { 111}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 313 and name HE2 ))
3.300 1.400 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.81524E-03 ppm1 2.857 ppm2 0.542 CV 1
ASSI { 112}
(( segid "PAH " and resid 313 and name HG2 ))
(( segid "PAH " and resid 313 and name HE2 ))
3.300 1.400 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.88079E-03 ppm1 2.857 ppm2 1.146 CV 1
ASSI { 113}
(( segid "PAH " and resid 313 and name HG2 ))
(( segid "PAH " and resid 313 and name HE1 ))
3.600 1.600 1.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.66414E-03 ppm1 2.963 ppm2 1.148 CV 1
ASSI { 114}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HE1 ))
2.800 0.900 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.33350E-02 ppm1 2.963 ppm2 1.973 CV 1
OR { 114}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 313 and name HE1 ))
ASSI { 115}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HE2 ))
3.000 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.15022E-02 ppm1 2.863 ppm2 1.981 CV 1
OR { 115}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 313 and name HE2 ))
ASSI { 117}
(( segid "PAH " and resid 313 and name HD2 ))
(( segid "PAH " and resid 313 and name HE2 ))
2.500 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.45892E-02 ppm1 2.860 ppm2 1.676 CV 1
OR { 117}
(( segid "PAH " and resid 313 and name HD1 ))
(( segid "PAH " and resid 313 and name HE2 ))
ASSI { 118}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HE1 ))
3.000 1.100 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.21977E-02 ppm1 2.787 ppm2 0.733 CV 1
OR { 118}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HE2 ))
ASSI { 119}
(( segid "PAH " and resid 315 and name HG1 ))
(( segid "PAH " and resid 315 and name HE1 ))
2.900 1.000 1.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 2.787 ppm2 0.894 CV 1
OR { 119}
(( segid "PAH " and resid 315 and name HG1 ))
(( segid "PAH " and resid 315 and name HE2 ))
ASSI { 120}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HE2 ))
2.700 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.41046E-02 ppm1 2.782 ppm2 1.455 CV 1
OR { 120}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HE1 ))
ASSI { 123}
(( segid "PAH " and resid 329 and name HB2 ))
(( segid "PAH " and resid 329 and name HB1 ))
2.600 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.18670E-02 ppm1 1.814 ppm2 1.136 CV 1
ASSI { 124}
(( segid "PAH " and resid 329 and name HG ))
(( segid "PAH " and resid 329 and name HB1 ))
3.300 1.300 1.300 peak 124 spectrum 1 weight 0.10000E+01 volume 0.91783E-03 ppm1 1.820 ppm2 1.360 CV 1
ASSI { 125}
( segid "PAH " and resid 372 and name HD2%)
(( segid "PAH " and resid 372 and name HB1 ))
3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10433E-02 ppm1 1.668 ppm2 0.219 CV 1
ASSI { 127}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 365 and name HB1 ))
2.500 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.62994E-02 ppm1 1.442 ppm2 0.797 CV 1
ASSI { 128}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 380 and name HB1 ))
2.500 0.800 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.38481E-02 ppm1 1.518 ppm2 0.787 CV 1
OR { 128}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 380 and name HB1 ))
ASSI { 129}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 380 and name HB2 ))
2.600 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.45892E-02 ppm1 1.403 ppm2 0.786 CV 1
OR { 129}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 380 and name HB2 ))
ASSI { 135}
(( segid "PAH " and resid 372 and name HB1 ))
(( segid "PAH " and resid 372 and name HB2 ))
2.500 0.800 0.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.25226E-02 ppm1 1.029 ppm2 1.636 CV 1
ASSI { 136}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 372 and name HB2 ))
3.300 1.400 1.400 peak 136 spectrum 1 weight 0.10000E+01 volume 0.59573E-03 ppm1 1.027 ppm2 0.544 CV 1
ASSI { 146}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 317 and name HD1 ))
2.900 1.100 1.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.16561E-02 ppm1 2.996 ppm2 0.598 CV 1
OR { 146}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 317 and name HD2 ))
ASSI { 147}
(( segid "PAH " and resid 317 and name HG1 ))
(( segid "PAH " and resid 317 and name HD2 ))
3.100 1.200 1.200 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 3.006 ppm2 0.939 CV 1
OR { 147}
(( segid "PAH " and resid 317 and name HG1 ))
(( segid "PAH " and resid 317 and name HD1 ))
ASSI { 149}
(( segid "PAH " and resid 349 and name HB1 ))
(( segid "PAH " and resid 349 and name HB2 ))
1.900 0.400 0.400 peak 149 spectrum 1 weight 0.10000E+01 volume 0.13739E-01 ppm1 2.805 ppm2 2.955 CV 1
ASSI { 151}
( segid "PAH " and resid 332 and name HD2%)
(( segid "PAH " and resid 332 and name HB1 ))
3.100 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.12798E-02 ppm1 1.696 ppm2 0.558 CV 1
OR { 151}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 332 and name HB1 ))
ASSI { 152}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 332 and name HB2 ))
3.100 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.11744E-02 ppm1 1.237 ppm2 0.555 CV 1
OR { 152}
( segid "PAH " and resid 332 and name HD2%)
(( segid "PAH " and resid 332 and name HB2 ))
ASSI { 153}
(( segid "PAH " and resid 332 and name HB2 ))
(( segid "PAH " and resid 332 and name HB1 ))
2.400 0.700 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.28789E-02 ppm1 1.697 ppm2 1.242 CV 1
ASSI { 155}
(( segid "PAH " and resid 299 and name HA ))
(( segid "PAH " and resid 299 and name HB1 ))
2.300 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.77531E-02 ppm1 2.819 ppm2 4.686 CV 1
ASSI { 156}
(( segid "PAH " and resid 299 and name HA ))
(( segid "PAH " and resid 299 and name HB2 ))
2.100 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.11601E-01 ppm1 2.754 ppm2 4.692 CV 1
ASSI { 157}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 316 and name HB1 ))
2.400 0.700 0.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.65844E-02 ppm1 2.756 ppm2 4.339 CV 1
ASSI { 159}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 316 and name HB1 ))
2.900 1.000 1.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.17957E-02 ppm1 2.755 ppm2 3.973 CV 1
ASSI { 163}
(( segid "PAH " and resid 368 and name HA ))
(( segid "PAH " and resid 368 and name HB1 ))
2.800 1.000 1.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.23031E-02 ppm1 3.119 ppm2 4.806 CV 1
ASSI { 164}
(( segid "PAH " and resid 368 and name HA ))
(( segid "PAH " and resid 368 and name HB2 ))
3.000 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.16646E-02 ppm1 2.985 ppm2 4.807 CV 1
ASSI { 166}
(( segid "PAH " and resid 376 and name HB1 ))
(( segid "PAH " and resid 376 and name HB2 ))
2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.24000E-02 ppm1 3.389 ppm2 4.034 CV 1
ASSI { 169}
( segid "PAH " and resid 350 and name HG2%)
(( segid "PAH " and resid 350 and name HB ))
2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.84086E-02 ppm1 3.879 ppm2 1.115 CV 1
ASSI { 173}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 328 and name HB2 ))
3.100 1.200 1.200 peak 173 spectrum 1 weight 0.10000E+01 volume 0.90640E-03 ppm1 3.020 ppm2 0.731 CV 1
ASSI { 174}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 348 and name HB1 ))
3.800 1.800 1.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.40761E-03 ppm1 2.863 ppm2 1.420 CV 1
ASSI { 179}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 331 and name HB ))
2.300 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.60428E-02 ppm1 1.733 ppm2 0.683 CV 1
ASSI { 182}
(( segid "PAH " and resid 331 and name HA ))
(( segid "PAH " and resid 331 and name HB ))
3.400 1.500 1.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.70123E-03 ppm1 1.732 ppm2 3.717 CV 1
ASSI { 186}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 318 and name HB1 ))
2.600 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.20837E-02 ppm1 3.889 ppm2 2.449 CV 1
ASSI { 194}
(( segid "PAH " and resid 334 and name HA ))
(( segid "PAH " and resid 337 and name HE1 ))
3.300 1.300 1.300 peak 194 spectrum 1 weight 0.10000E+01 volume 0.92637E-03 ppm1 2.904 ppm2 3.823 CV 1
OR { 194}
(( segid "PAH " and resid 334 and name HA ))
(( segid "PAH " and resid 337 and name HE2 ))
ASSI { 196}
(( segid "PAH " and resid 343 and name HG2 ))
(( segid "PAH " and resid 343 and name HE2 ))
2.800 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.26053E-02 ppm1 2.983 ppm2 1.452 CV 1
OR { 196}
(( segid "PAH " and resid 343 and name HG2 ))
(( segid "PAH " and resid 343 and name HE1 ))
ASSI { 197}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HE2 ))
2.800 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.26366E-02 ppm1 2.892 ppm2 1.442 CV 1
OR { 197}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HE1 ))
ASSI { 203}
(( segid "PAH " and resid 341 and name HB2 ))
(( segid "PAH " and resid 341 and name HB1 ))
1.900 0.400 0.400 peak 203 spectrum 1 weight 0.10000E+01 volume 0.14309E-01 ppm1 2.732 ppm2 2.455 CV 1
ASSI { 204}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 341 and name HB1 ))
3.000 1.100 1.100 peak 204 spectrum 1 weight 0.10000E+01 volume 0.21321E-02 ppm1 2.738 ppm2 4.159 CV 1
ASSI { 206}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 324 and name HB ))
2.600 0.800 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.31070E-02 ppm1 1.572 ppm2 0.083 CV 1
ASSI { 207}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 324 and name HB ))
2.900 1.000 1.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.19639E-02 ppm1 1.566 ppm2 0.810 CV 1
ASSI { 208}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 324 and name HB ))
3.200 1.300 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 1.569 ppm2 1.168 CV 1
ASSI { 209}
(( segid "PAH " and resid 321 and name HG2 ))
(( segid "PAH " and resid 324 and name HB ))
3.800 1.800 1.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.30785E-03 ppm1 1.574 ppm2 2.358 CV 1
OR { 209}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 324 and name HB ))
ASSI { 210}
(( segid "PAH " and resid 324 and name HA ))
(( segid "PAH " and resid 324 and name HB ))
3.400 1.400 1.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.77249E-03 ppm1 1.584 ppm2 3.707 CV 1
ASSI { 211}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 355 and name HG1 ))
3.700 1.700 1.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.55013E-03 ppm1 2.532 ppm2 0.789 CV 1
OR { 211}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 355 and name HG1 ))
ASSI { 212}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 355 and name HG2 ))
3.400 1.500 1.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.81807E-03 ppm1 2.326 ppm2 0.787 CV 1
OR { 212}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 355 and name HG2 ))
ASSI { 213}
(( segid "PAH " and resid 355 and name HB2 ))
(( segid "PAH " and resid 355 and name HG1 ))
2.800 0.900 0.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.20609E-02 ppm1 2.533 ppm2 1.997 CV 1
ASSI { 214}
(( segid "PAH " and resid 355 and name HB2 ))
(( segid "PAH " and resid 355 and name HG2 ))
2.800 1.000 1.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.32210E-02 ppm1 2.325 ppm2 1.992 CV 1
ASSI { 215}
(( segid "PAH " and resid 355 and name HG2 ))
(( segid "PAH " and resid 355 and name HG1 ))
1.900 0.400 0.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.15364E-01 ppm1 2.533 ppm2 2.315 CV 1
ASSI { 219}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 379 and name HB1 ))
3.300 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.68980E-03 ppm1 3.215 ppm2 -0.892 CV 1
ASSI { 221}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 338 and name HG1 ))
3.100 1.200 1.200 peak 221 spectrum 1 weight 0.10000E+01 volume 0.21805E-02 ppm1 2.463 ppm2 4.152 CV 1
ASSI { 223}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 338 and name HG1 ))
3.300 1.300 1.300 peak 223 spectrum 1 weight 0.10000E+01 volume 0.82661E-03 ppm1 2.432 ppm2 0.967 CV 1
ASSI { 224}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 338 and name HG1 ))
3.300 1.400 1.400 peak 224 spectrum 1 weight 0.10000E+01 volume 0.84086E-03 ppm1 2.447 ppm2 0.896 CV 1
OR { 224}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 338 and name HG1 ))
ASSI { 226}
(( segid "PAH " and resid 366 and name HA ))
(( segid "PAH " and resid 366 and name HB2 ))
4.000 2.000 2.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.39906E-03 ppm1 2.920 ppm2 4.966 CV 1
ASSI { 230}
(( segid "PAH " and resid 366 and name HB1 ))
(( segid "PAH " and resid 366 and name HB2 ))
2.400 0.700 0.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.27820E-02 ppm1 2.927 ppm2 3.770 CV 1
ASSI { 231}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 311 and name HA ))
3.400 1.400 1.400 peak 231 spectrum 1 weight 0.10000E+01 volume 0.10917E-02 ppm1 3.423 ppm2 0.763 CV 1
ASSI { 232}
( segid "PAH " and resid 311 and name HG1%)
(( segid "PAH " and resid 311 and name HA ))
2.800 0.900 0.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.23744E-02 ppm1 3.431 ppm2 1.033 CV 1
ASSI { 233}
( segid "PAH " and resid 311 and name HG2%)
(( segid "PAH " and resid 311 and name HA ))
2.600 0.800 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.34490E-02 ppm1 3.426 ppm2 1.155 CV 1
ASSI { 234}
(( segid "PAH " and resid 314 and name HB ))
(( segid "PAH " and resid 311 and name HA ))
3.500 1.500 1.500 peak 234 spectrum 1 weight 0.10000E+01 volume 0.51022E-03 ppm1 3.428 ppm2 1.779 CV 1
ASSI { 235}
(( segid "PAH " and resid 311 and name HB ))
(( segid "PAH " and resid 311 and name HA ))
3.600 1.600 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.49882E-03 ppm1 3.425 ppm2 2.218 CV 1
ASSI { 238}
( segid "PAH " and resid 325 and name HD% )
(( segid "PAH " and resid 325 and name HB2 ))
3.000 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.11686E-02 ppm1 3.124 ppm2 -0.955 CV 1
OR { 238}
( segid "PAH " and resid 325 and name HD% )
(( segid "PAH " and resid 325 and name HB1 ))
ASSI { 245}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 341 and name HB2 ))
3.300 1.400 1.400 peak 245 spectrum 1 weight 0.10000E+01 volume 0.66699E-03 ppm1 2.457 ppm2 4.157 CV 1
ASSI { 247}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 334 and name HB ))
3.000 1.200 1.200 peak 247 spectrum 1 weight 0.10000E+01 volume 0.13340E-02 ppm1 4.349 ppm2 0.899 CV 1
OR { 247}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 334 and name HB ))
ASSI { 250}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 357 and name HG1 ))
2.500 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.55868E-02 ppm1 2.365 ppm2 4.231 CV 1
OR { 250}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 357 and name HG2 ))
ASSI { 255}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HG2 ))
2.500 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.51022E-02 ppm1 2.363 ppm2 0.903 CV 1
OR { 255}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HG1 ))
OR { 255}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 357 and name HG1 ))
OR { 255}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 357 and name HG2 ))
ASSI { 256}
(( segid "PAH " and resid 344 and name HB2 ))
(( segid "PAH " and resid 344 and name HG1 ))
2.100 0.500 0.500 peak 256 spectrum 1 weight 0.10000E+01 volume 0.12000E-01 ppm1 2.364 ppm2 1.950 CV 1
ASSI { 260}
(( segid "PAH " and resid 344 and name HB2 ))
(( segid "PAH " and resid 344 and name HG2 ))
2.100 0.500 0.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.14993E-01 ppm1 2.263 ppm2 1.960 CV 1
ASSI { 261}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HG2 ))
2.500 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.42756E-02 ppm1 2.262 ppm2 4.151 CV 1
ASSI { 263}
( segid "PAH " and resid 352 and name HB% )
(( segid "PAH " and resid 338 and name HG1 ))
3.200 1.300 1.300 peak 263 spectrum 1 weight 0.10000E+01 volume 0.95487E-03 ppm1 2.454 ppm2 1.353 CV 1
ASSI { 265}
(( segid "PAH " and resid 337 and name HD2 ))
(( segid "PAH " and resid 334 and name HA ))
3.800 1.800 1.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.49597E-03 ppm1 3.847 ppm2 1.619 CV 1
OR { 265}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 334 and name HA ))
ASSI { 266}
(( segid "PAH " and resid 337 and name HB2 ))
(( segid "PAH " and resid 334 and name HA ))
3.300 1.400 1.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.94633E-03 ppm1 3.843 ppm2 1.815 CV 1
ASSI { 268}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 334 and name HA ))
3.000 1.200 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.11088E-02 ppm1 3.843 ppm2 1.893 CV 1
ASSI { 271}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 358 and name HA ))
3.000 1.200 1.200 peak 271 spectrum 1 weight 0.10000E+01 volume 0.15620E-02 ppm1 3.413 ppm2 0.909 CV 1
OR { 271}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 358 and name HA ))
ASSI { 274}
(( segid "PAH " and resid 358 and name HB ))
(( segid "PAH " and resid 358 and name HA ))
3.000 1.100 1.100 peak 274 spectrum 1 weight 0.10000E+01 volume 0.15762E-02 ppm1 3.419 ppm2 2.198 CV 1
ASSI { 279}
(( segid "PAH " and resid 365 and name HB2 ))
(( segid "PAH " and resid 362 and name HA ))
3.000 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.11459E-02 ppm1 2.948 ppm2 1.321 CV 1
ASSI { 285}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 361 and name HG1 ))
3.600 1.600 1.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.66129E-03 ppm1 2.683 ppm2 1.541 CV 1
ASSI { 287}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 361 and name HG1 ))
2.500 0.800 0.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.31070E-02 ppm1 2.686 ppm2 2.019 CV 1
ASSI { 289}
(( segid "PAH " and resid 361 and name HB1 ))
(( segid "PAH " and resid 361 and name HG1 ))
2.900 1.000 1.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.26594E-02 ppm1 2.681 ppm2 2.083 CV 1
ASSI { 291}
(( segid "PAH " and resid 361 and name HG2 ))
(( segid "PAH " and resid 361 and name HG1 ))
1.900 0.500 0.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.11174E-01 ppm1 2.684 ppm2 2.323 CV 1
ASSI { 293}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 361 and name HG1 ))
3.100 1.200 1.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.20894E-02 ppm1 2.684 ppm2 3.936 CV 1
ASSI { 294}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 361 and name HG2 ))
2.600 0.800 0.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.33920E-02 ppm1 2.326 ppm2 3.935 CV 1
ASSI { 296}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 321 and name HG1 ))
3.000 1.100 1.100 peak 296 spectrum 1 weight 0.10000E+01 volume 0.13283E-02 ppm1 2.463 ppm2 1.564 CV 1
OR { 296}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 321 and name HG1 ))
ASSI { 297}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 336 and name HG1 ))
2.700 0.900 0.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.25511E-02 ppm1 2.460 ppm2 3.823 CV 1
ASSI { 299}
(( segid "PAH " and resid 319 and name HA ))
(( segid "PAH " and resid 319 and name HG1 ))
2.600 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.41046E-02 ppm1 2.445 ppm2 4.041 CV 1
OR { 299}
(( segid "PAH " and resid 319 and name HA ))
(( segid "PAH " and resid 319 and name HG2 ))
ASSI { 300}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 321 and name HG2 ))
3.500 1.500 1.500 peak 300 spectrum 1 weight 0.10000E+01 volume 0.55013E-03 ppm1 2.374 ppm2 0.803 CV 1
ASSI { 301}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 321 and name HG1 ))
2.900 1.000 1.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.17444E-02 ppm1 2.467 ppm2 4.950 CV 1
ASSI { 302}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 321 and name HG2 ))
3.100 1.200 1.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.15164E-02 ppm1 2.376 ppm2 4.949 CV 1
ASSI { 306}
(( segid "PAH " and resid 322 and name HB2 ))
(( segid "PAH " and resid 322 and name HA ))
2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.28276E-02 ppm1 4.526 ppm2 2.137 CV 1
ASSI { 307}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 322 and name HA ))
2.600 0.800 0.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.31070E-02 ppm1 4.524 ppm2 2.466 CV 1
ASSI { 308}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 331 and name HA ))
2.400 0.700 0.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.54443E-02 ppm1 3.727 ppm2 0.746 CV 1
ASSI { 309}
(( segid "PAH " and resid 331 and name HG12))
(( segid "PAH " and resid 331 and name HA ))
3.000 1.100 1.100 peak 309 spectrum 1 weight 0.10000E+01 volume 0.11715E-02 ppm1 3.726 ppm2 1.043 CV 1
ASSI { 311}
(( segid "PAH " and resid 331 and name HG11))
(( segid "PAH " and resid 331 and name HA ))
2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.23915E-02 ppm1 3.728 ppm2 1.750 CV 1
OR { 311}
(( segid "PAH " and resid 331 and name HB ))
(( segid "PAH " and resid 331 and name HA ))
ASSI { 312}
(( segid "PAH " and resid 334 and name HB ))
(( segid "PAH " and resid 331 and name HA ))
3.000 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.13254E-02 ppm1 3.729 ppm2 4.346 CV 1
ASSI { 313}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 331 and name HA ))
3.100 1.200 1.200 peak 313 spectrum 1 weight 0.10000E+01 volume 0.77814E-03 ppm1 3.730 ppm2 0.897 CV 1
OR { 313}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 331 and name HA ))
ASSI { 315}
( segid "PAH " and resid 372 and name HD2%)
(( segid "PAH " and resid 314 and name HA ))
3.300 1.300 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.57008E-03 ppm1 3.206 ppm2 0.214 CV 1
ASSI { 316}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 314 and name HA ))
3.200 1.300 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.75535E-03 ppm1 3.198 ppm2 0.546 CV 1
ASSI { 318}
(( segid "PAH " and resid 314 and name HG11))
(( segid "PAH " and resid 314 and name HA ))
3.900 1.900 1.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.40476E-03 ppm1 3.207 ppm2 1.026 CV 1
ASSI { 319}
(( segid "PAH " and resid 314 and name HB ))
(( segid "PAH " and resid 314 and name HA ))
4.000 2.000 2.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.26708E-03 ppm1 3.207 ppm2 1.747 CV 1
ASSI { 320}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 370 and name HG2 ))
2.400 0.700 0.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.68980E-02 ppm1 2.426 ppm2 3.985 CV 1
OR { 320}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 370 and name HG1 ))
ASSI { 321}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 336 and name HG2 ))
3.200 1.200 1.200 peak 321 spectrum 1 weight 0.10000E+01 volume 0.12798E-02 ppm1 2.272 ppm2 3.823 CV 1
ASSI { 325}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 351 and name HB1 ))
3.500 1.500 1.500 peak 325 spectrum 1 weight 0.10000E+01 volume 0.83803E-03 ppm1 2.303 ppm2 4.173 CV 1
ASSI { 329}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 351 and name HB2 ))
4.500 2.600 1.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.33350E-03 ppm1 1.853 ppm2 -1.196 CV 1
ASSI { 333}
(( segid "PAH " and resid 381 and name HB2 ))
(( segid "PAH " and resid 381 and name HB1 ))
1.800 0.400 0.400 peak 333 spectrum 1 weight 0.10000E+01 volume 0.20238E-01 ppm1 2.301 ppm2 1.948 CV 1
ASSI { 334}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 351 and name HB2 ))
1.800 0.400 0.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.17188E-01 ppm1 1.862 ppm2 2.292 CV 1
ASSI { 337}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HB1 ))
2.300 0.600 0.600 peak 337 spectrum 1 weight 0.10000E+01 volume 0.71259E-02 ppm1 2.015 ppm2 1.469 CV 1
OR { 337}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HB1 ))
ASSI { 338}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 367 and name HB1 ))
1.600 0.300 0.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.38766E-01 ppm1 2.011 ppm2 1.871 CV 1
ASSI { 341}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HB2 ))
2.200 2.200 3.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.95487E-02 ppm1 1.871 ppm2 4.037 CV 1
ASSI { 342}
( segid "PAH " and resid 311 and name HG1%)
(( segid "PAH " and resid 311 and name HB ))
2.400 0.700 0.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.45892E-02 ppm1 2.222 ppm2 1.031 CV 1
ASSI { 343}
( segid "PAH " and resid 311 and name HG2%)
(( segid "PAH " and resid 311 and name HB ))
2.300 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.62994E-02 ppm1 2.218 ppm2 1.157 CV 1
ASSI { 345}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 358 and name HB ))
2.700 0.900 0.900 peak 345 spectrum 1 weight 0.10000E+01 volume 0.25511E-02 ppm1 2.198 ppm2 3.742 CV 1
ASSI { 346}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 358 and name HB ))
2.200 0.600 0.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.74109E-02 ppm1 2.203 ppm2 0.813 CV 1
ASSI { 347}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 358 and name HB ))
2.200 0.600 0.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.79239E-02 ppm1 2.208 ppm2 0.731 CV 1
ASSI { 348}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 324 and name HA ))
2.700 0.900 0.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.27050E-02 ppm1 3.706 ppm2 0.084 CV 1
ASSI { 351}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 324 and name HA ))
3.000 1.100 1.100 peak 351 spectrum 1 weight 0.10000E+01 volume 0.13026E-02 ppm1 3.709 ppm2 1.156 CV 1
ASSI { 353}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 313 and name HB1 ))
3.200 1.300 1.300 peak 353 spectrum 1 weight 0.10000E+01 volume 0.99480E-03 ppm1 1.970 ppm2 0.549 CV 1
ASSI { 357}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HB1 ))
3.300 1.300 1.300 peak 357 spectrum 1 weight 0.10000E+01 volume 0.74681E-03 ppm1 1.575 ppm2 0.723 CV 1
ASSI { 358}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HB2 ))
3.300 1.400 1.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10718E-02 ppm1 1.481 ppm2 0.743 CV 1
ASSI { 359}
(( segid "PAH " and resid 315 and name HG1 ))
(( segid "PAH " and resid 315 and name HB1 ))
4.400 2.400 1.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.18955E-03 ppm1 1.586 ppm2 0.871 CV 1
ASSI { 360}
(( segid "PAH " and resid 315 and name HG1 ))
(( segid "PAH " and resid 315 and name HB2 ))
3.400 1.400 1.400 peak 360 spectrum 1 weight 0.10000E+01 volume 0.48742E-03 ppm1 1.477 ppm2 0.886 CV 1
ASSI { 365}
(( segid "PAH " and resid 312 and name HA ))
(( segid "PAH " and resid 315 and name HB1 ))
3.000 1.200 1.200 peak 365 spectrum 1 weight 0.10000E+01 volume 0.10803E-02 ppm1 1.566 ppm2 4.388 CV 1
ASSI { 368}
(( segid "PAH " and resid 322 and name HB2 ))
(( segid "PAH " and resid 322 and name HB1 ))
2.000 0.500 0.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.10204E-01 ppm1 2.473 ppm2 2.144 CV 1
ASSI { 375}
(( segid "PAH " and resid 381 and name HB2 ))
(( segid "PAH " and resid 381 and name HA ))
2.600 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.51022E-02 ppm1 4.388 ppm2 1.931 CV 1
ASSI { 378}
( segid "PAH " and resid 349 and name HD% )
(( segid "PAH " and resid 351 and name HA ))
4.000 2.000 2.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.32210E-03 ppm1 4.362 ppm2 -1.062 CV 1
ASSI { 379}
( segid "PAH " and resid 352 and name HB% )
(( segid "PAH " and resid 351 and name HA ))
4.200 2.200 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.41901E-03 ppm1 4.354 ppm2 1.361 CV 1
ASSI { 380}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 351 and name HA ))
3.400 1.500 1.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.86654E-03 ppm1 4.358 ppm2 1.429 CV 1
ASSI { 384}
(( segid "PAH " and resid 362 and name HA ))
(( segid "PAH " and resid 362 and name HB ))
3.300 1.400 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.79810E-03 ppm1 1.438 ppm2 2.940 CV 1
ASSI { 385}
(( segid "PAH " and resid 359 and name HA ))
(( segid "PAH " and resid 362 and name HB ))
2.900 1.000 1.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.16447E-02 ppm1 1.443 ppm2 3.868 CV 1
ASSI { 388}
(( segid "PAH " and resid 364 and name HD2 ))
(( segid "PAH " and resid 364 and name HB2 ))
2.500 0.800 0.800 peak 388 spectrum 1 weight 0.10000E+01 volume 0.45606E-02 ppm1 1.839 ppm2 3.199 CV 1
OR { 388}
(( segid "PAH " and resid 364 and name HD1 ))
(( segid "PAH " and resid 364 and name HB2 ))
OR { 388}
(( segid "PAH " and resid 364 and name HD1 ))
(( segid "PAH " and resid 364 and name HB1 ))
ASSI { 389}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 340 and name HB2 ))
2.600 0.900 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.27991E-02 ppm1 1.849 ppm2 3.898 CV 1
ASSI { 391}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 326 and name HB1 ))
2.300 0.700 0.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.65844E-02 ppm1 1.856 ppm2 3.634 CV 1
OR { 391}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 326 and name HB2 ))
ASSI { 393}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 313 and name HD2 ))
3.500 1.500 1.500 peak 393 spectrum 1 weight 0.10000E+01 volume 0.63849E-03 ppm1 1.695 ppm2 -1.002 CV 1
OR { 393}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 313 and name HD1 ))
ASSI { 394}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 313 and name HD2 ))
2.500 0.800 0.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.34490E-02 ppm1 1.688 ppm2 0.536 CV 1
OR { 394}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 313 and name HD1 ))
ASSI { 395}
(( segid "PAH " and resid 313 and name HG2 ))
(( segid "PAH " and resid 313 and name HD1 ))
2.300 0.700 0.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.59858E-02 ppm1 1.689 ppm2 1.157 CV 1
OR { 395}
(( segid "PAH " and resid 313 and name HG2 ))
(( segid "PAH " and resid 313 and name HD2 ))
ASSI { 397}
(( segid "PAH " and resid 313 and name HE1 ))
(( segid "PAH " and resid 313 and name HD2 ))
2.300 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.66414E-02 ppm1 1.685 ppm2 2.962 CV 1
OR { 397}
(( segid "PAH " and resid 313 and name HE1 ))
(( segid "PAH " and resid 313 and name HD1 ))
ASSI { 399}
(( segid "PAH " and resid 310 and name HA ))
(( segid "PAH " and resid 313 and name HD2 ))
3.300 1.400 1.400 peak 399 spectrum 1 weight 0.10000E+01 volume 0.86654E-03 ppm1 1.688 ppm2 4.440 CV 1
OR { 399}
(( segid "PAH " and resid 310 and name HA ))
(( segid "PAH " and resid 313 and name HD1 ))
ASSI { 401}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HB1 ))
3.000 1.200 1.200 peak 401 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 2.313 ppm2 0.907 CV 1
OR { 401}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 357 and name HB1 ))
ASSI { 402}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 357 and name HB1 ))
2.900 1.100 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.18955E-02 ppm1 2.305 ppm2 4.232 CV 1
ASSI { 403}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 357 and name HB2 ))
2.400 0.700 0.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.45321E-02 ppm1 2.083 ppm2 4.227 CV 1
ASSI { 404}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 375 and name HB1 ))
3.400 1.400 1.400 peak 404 spectrum 1 weight 0.10000E+01 volume 0.65844E-03 ppm1 2.232 ppm2 -1.129 CV 1
ASSI { 406}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 375 and name HB1 ))
2.900 1.100 1.100 peak 406 spectrum 1 weight 0.10000E+01 volume 0.16418E-02 ppm1 2.221 ppm2 4.063 CV 1
ASSI { 409}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HB2 ))
2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.31640E-02 ppm1 1.954 ppm2 4.156 CV 1
ASSI { 411}
(( segid "PAH " and resid 351 and name HB2 ))
(( segid "PAH " and resid 351 and name HA ))
2.800 1.000 1.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.33920E-02 ppm1 4.360 ppm2 1.863 CV 1
ASSI { 412}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 351 and name HA ))
2.100 0.600 0.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.80099E-02 ppm1 4.349 ppm2 2.288 CV 1
ASSI { 416}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 359 and name HA ))
3.600 1.700 1.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.76677E-03 ppm1 3.877 ppm2 0.423 CV 1
ASSI { 419}
(( segid "PAH " and resid 359 and name HB2 ))
(( segid "PAH " and resid 359 and name HA ))
3.000 1.100 1.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.12399E-02 ppm1 3.876 ppm2 3.083 CV 1
ASSI { 420}
(( segid "PAH " and resid 359 and name HB1 ))
(( segid "PAH " and resid 359 and name HA ))
3.300 1.400 1.400 peak 420 spectrum 1 weight 0.10000E+01 volume 0.10404E-02 ppm1 3.876 ppm2 3.270 CV 1
ASSI { 422}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 335 and name HA ))
2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.27820E-02 ppm1 4.071 ppm2 0.893 CV 1
OR { 422}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 335 and name HA ))
ASSI { 423}
(( segid "PAH " and resid 353 and name HB2 ))
(( segid "PAH " and resid 335 and name HA ))
3.600 1.600 1.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.54728E-03 ppm1 4.062 ppm2 1.541 CV 1
ASSI { 424}
(( segid "PAH " and resid 353 and name HB1 ))
(( segid "PAH " and resid 335 and name HA ))
3.500 1.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.59288E-03 ppm1 4.064 ppm2 1.660 CV 1
OR { 424}
(( segid "PAH " and resid 353 and name HG ))
(( segid "PAH " and resid 335 and name HA ))
ASSI { 426}
(( segid "PAH " and resid 335 and name HB2 ))
(( segid "PAH " and resid 335 and name HA ))
3.000 1.100 1.100 peak 426 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 4.061 ppm2 2.969 CV 1
ASSI { 429}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 374 and name HB2 ))
2.100 0.600 0.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.12456E-01 ppm1 4.069 ppm2 4.350 CV 1
OR { 429}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 374 and name HB1 ))
ASSI { 431}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 355 and name HA ))
3.400 1.400 1.400 peak 431 spectrum 1 weight 0.10000E+01 volume 0.87790E-03 ppm1 3.748 ppm2 0.730 CV 1
ASSI { 435}
(( segid "PAH " and resid 355 and name HG2 ))
(( segid "PAH " and resid 355 and name HA ))
2.800 1.000 1.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.24029E-02 ppm1 3.748 ppm2 2.309 CV 1
ASSI { 436}
(( segid "PAH " and resid 355 and name HG1 ))
(( segid "PAH " and resid 355 and name HA ))
3.200 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 3.751 ppm2 2.516 CV 1
ASSI { 437}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 328 and name HA ))
3.000 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 3.874 ppm2 -1.115 CV 1
ASSI { 440}
(( segid "PAH " and resid 331 and name HB ))
(( segid "PAH " and resid 328 and name HA ))
3.300 1.300 1.300 peak 440 spectrum 1 weight 0.10000E+01 volume 0.78674E-03 ppm1 3.869 ppm2 1.723 CV 1
ASSI { 441}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 328 and name HA ))
4.200 2.200 1.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.26252E-03 ppm1 3.863 ppm2 1.515 CV 1
ASSI { 442}
(( segid "PAH " and resid 328 and name HB2 ))
(( segid "PAH " and resid 328 and name HA ))
3.200 1.300 1.300 peak 442 spectrum 1 weight 0.10000E+01 volume 0.73538E-03 ppm1 3.864 ppm2 2.998 CV 1
ASSI { 443}
(( segid "PAH " and resid 328 and name HB1 ))
(( segid "PAH " and resid 328 and name HA ))
3.600 1.600 1.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.65559E-03 ppm1 3.872 ppm2 3.429 CV 1
ASSI { 445}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 310 and name HA ))
3.400 1.400 1.400 peak 445 spectrum 1 weight 0.10000E+01 volume 0.70977E-03 ppm1 4.460 ppm2 1.969 CV 1
OR { 445}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 310 and name HA ))
ASSI { 446}
(( segid "PAH " and resid 310 and name HB2 ))
(( segid "PAH " and resid 310 and name HA ))
3.500 1.600 1.600 peak 446 spectrum 1 weight 0.10000E+01 volume 0.46177E-03 ppm1 4.469 ppm2 2.976 CV 1
ASSI { 447}
(( segid "PAH " and resid 310 and name HB1 ))
(( segid "PAH " and resid 310 and name HA ))
4.200 2.200 1.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.27022E-03 ppm1 4.458 ppm2 3.389 CV 1
ASSI { 448}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 376 and name HA ))
4.000 2.000 2.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.28048E-03 ppm1 4.164 ppm2 -1.115 CV 1
ASSI { 452}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 370 and name HA ))
3.700 1.700 1.700 peak 452 spectrum 1 weight 0.10000E+01 volume 0.47887E-03 ppm1 3.992 ppm2 0.801 CV 1
ASSI { 453}
( segid "PAH " and resid 373 and name HD1%)
(( segid "PAH " and resid 370 and name HA ))
3.300 1.400 1.400 peak 453 spectrum 1 weight 0.10000E+01 volume 0.92926E-03 ppm1 3.992 ppm2 0.958 CV 1
ASSI { 454}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 370 and name HA ))
3.000 1.100 1.100 peak 454 spectrum 1 weight 0.10000E+01 volume 0.11629E-02 ppm1 3.992 ppm2 1.709 CV 1
ASSI { 456}
(( segid "PAH " and resid 370 and name HB1 ))
(( segid "PAH " and resid 370 and name HA ))
2.200 0.600 0.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.10632E-01 ppm1 3.990 ppm2 2.129 CV 1
OR { 456}
(( segid "PAH " and resid 370 and name HB2 ))
(( segid "PAH " and resid 370 and name HA ))
ASSI { 458}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 313 and name HA ))
2.500 0.800 0.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.45321E-02 ppm1 3.983 ppm2 1.977 CV 1
OR { 458}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HA ))
ASSI { 459}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 325 and name HA ))
4.300 2.300 1.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.38196E-03 ppm1 4.222 ppm2 -1.286 CV 1
ASSI { 461}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 325 and name HA ))
4.200 2.200 1.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.26765E-03 ppm1 4.223 ppm2 -1.090 CV 1
ASSI { 462}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 325 and name HA ))
3.300 1.400 1.400 peak 462 spectrum 1 weight 0.10000E+01 volume 0.84375E-03 ppm1 4.213 ppm2 0.755 CV 1
ASSI { 463}
(( segid "PAH " and resid 325 and name HB1 ))
(( segid "PAH " and resid 325 and name HA ))
2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.29359E-02 ppm1 4.213 ppm2 3.103 CV 1
OR { 463}
(( segid "PAH " and resid 325 and name HB2 ))
(( segid "PAH " and resid 325 and name HA ))
ASSI { 467}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 314 and name HG11))
2.300 0.700 0.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.39621E-02 ppm1 1.022 ppm2 0.552 CV 1
ASSI { 473}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 324 and name HG11))
3.400 1.500 1.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.14708E-02 ppm1 1.549 ppm2 0.083 CV 1
ASSI { 474}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 324 and name HG12))
2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.17957E-02 ppm1 1.162 ppm2 0.079 CV 1
ASSI { 476}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 324 and name HG11))
2.400 0.700 0.700 peak 476 spectrum 1 weight 0.10000E+01 volume 0.49882E-02 ppm1 1.542 ppm2 0.804 CV 1
ASSI { 477}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 324 and name HG11))
2.000 0.500 0.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.79528E-02 ppm1 1.540 ppm2 1.159 CV 1
ASSI { 479}
(( segid "PAH " and resid 324 and name HA ))
(( segid "PAH " and resid 324 and name HG11))
3.500 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.72402E-03 ppm1 1.538 ppm2 3.698 CV 1
ASSI { 481}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 324 and name HG11))
3.500 1.600 1.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.47032E-03 ppm1 1.540 ppm2 2.350 CV 1
ASSI { 482}
(( segid "PAH " and resid 321 and name HG2 ))
(( segid "PAH " and resid 324 and name HG12))
4.600 2.700 1.400 peak 482 spectrum 1 weight 0.10000E+01 volume 0.26223E-03 ppm1 1.175 ppm2 2.359 CV 1
OR { 482}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 324 and name HG12))
ASSI { 483}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HA ))
3.100 1.200 1.200 peak 483 spectrum 1 weight 0.10000E+01 volume 0.16190E-02 ppm1 3.980 ppm2 1.537 CV 1
ASSI { 486}
(( segid "PAH " and resid 316 and name HB2 ))
(( segid "PAH " and resid 313 and name HA ))
3.200 1.300 1.300 peak 486 spectrum 1 weight 0.10000E+01 volume 0.10689E-02 ppm1 3.980 ppm2 2.651 CV 1
ASSI { 487}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 326 and name HA ))
2.700 0.900 0.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.19667E-02 ppm1 3.636 ppm2 0.530 CV 1
ASSI { 488}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HA ))
3.100 1.200 1.200 peak 488 spectrum 1 weight 0.10000E+01 volume 0.17102E-02 ppm1 3.641 ppm2 1.364 CV 1
ASSI { 489}
(( segid "PAH " and resid 326 and name HG1 ))
(( segid "PAH " and resid 326 and name HA ))
3.200 1.300 1.300 peak 489 spectrum 1 weight 0.10000E+01 volume 0.81807E-03 ppm1 3.632 ppm2 1.583 CV 1
ASSI { 490}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HA ))
3.900 1.900 1.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.68980E-03 ppm1 3.628 ppm2 1.669 CV 1
OR { 490}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HA ))
ASSI { 492}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 357 and name HA ))
2.400 0.700 0.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.57293E-02 ppm1 4.239 ppm2 1.540 CV 1
ASSI { 494}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 357 and name HA ))
2.300 0.600 0.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.93780E-02 ppm1 4.238 ppm2 2.341 CV 1
OR { 494}
(( segid "PAH " and resid 357 and name HG1 ))
(( segid "PAH " and resid 357 and name HA ))
OR { 494}
(( segid "PAH " and resid 357 and name HG2 ))
(( segid "PAH " and resid 357 and name HA ))
ASSI { 495}
( segid "PAH " and resid 350 and name HG2%)
(( segid "PAH " and resid 350 and name HA ))
2.600 0.800 0.800 peak 495 spectrum 1 weight 0.10000E+01 volume 0.35345E-02 ppm1 4.526 ppm2 1.117 CV 1
ASSI { 497}
(( segid "PAH " and resid 351 and name HG2 ))
(( segid "PAH " and resid 350 and name HA ))
4.800 2.800 1.200 peak 497 spectrum 1 weight 0.10000E+01 volume 0.34775E-03 ppm1 4.529 ppm2 1.953 CV 1
ASSI { 498}
(( segid "PAH " and resid 351 and name HG1 ))
(( segid "PAH " and resid 350 and name HA ))
4.100 2.100 1.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.80664E-03 ppm1 4.526 ppm2 2.051 CV 1
ASSI { 499}
(( segid "PAH " and resid 351 and name HD2 ))
(( segid "PAH " and resid 350 and name HA ))
2.100 0.500 0.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.11658E-01 ppm1 4.527 ppm2 3.704 CV 1
OR { 499}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 350 and name HA ))
ASSI { 500}
(( segid "PAH " and resid 350 and name HB ))
(( segid "PAH " and resid 350 and name HA ))
2.700 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.26423E-02 ppm1 4.526 ppm2 3.871 CV 1
ASSI { 503}
(( segid "PAH " and resid 379 and name HB1 ))
(( segid "PAH " and resid 379 and name HA ))
3.300 1.300 1.300 peak 503 spectrum 1 weight 0.10000E+01 volume 0.78103E-03 ppm1 4.235 ppm2 3.202 CV 1
ASSI { 505}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HA ))
4.300 2.300 1.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.29929E-03 ppm1 4.250 ppm2 0.904 CV 1
OR { 505}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 357 and name HA ))
ASSI { 506}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 379 and name HA ))
3.100 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 4.227 ppm2 -0.888 CV 1
ASSI { 507}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 349 and name HA ))
4.400 2.400 1.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.26965E-03 ppm1 4.528 ppm2 -1.196 CV 1
ASSI { 510}
(( segid "PAH " and resid 349 and name HB2 ))
(( segid "PAH " and resid 349 and name HA ))
2.500 0.800 0.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.38196E-02 ppm1 4.529 ppm2 2.802 CV 1
ASSI { 511}
(( segid "PAH " and resid 349 and name HB1 ))
(( segid "PAH " and resid 349 and name HA ))
2.600 0.900 0.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.45036E-02 ppm1 4.529 ppm2 2.954 CV 1
ASSI { 512}
( segid "PAH " and resid 366 and name HD% )
(( segid "PAH " and resid 373 and name HA ))
3.900 1.900 1.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.37340E-03 ppm1 4.429 ppm2 -1.337 CV 1
ASSI { 513}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 373 and name HA ))
2.800 1.000 1.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.30785E-02 ppm1 4.433 ppm2 0.793 CV 1
ASSI { 514}
( segid "PAH " and resid 373 and name HD1%)
(( segid "PAH " and resid 373 and name HA ))
3.000 1.200 1.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.12827E-02 ppm1 4.432 ppm2 0.962 CV 1
ASSI { 517}
(( segid "PAH " and resid 373 and name HB1 ))
(( segid "PAH " and resid 373 and name HA ))
3.300 1.300 1.300 peak 517 spectrum 1 weight 0.10000E+01 volume 0.80664E-03 ppm1 4.443 ppm2 2.155 CV 1
ASSI { 521}
(( segid "PAH " and resid 333 and name HB2 ))
(( segid "PAH " and resid 330 and name HA ))
2.400 0.700 0.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.47032E-02 ppm1 4.077 ppm2 3.269 CV 1
OR { 521}
(( segid "PAH " and resid 333 and name HB1 ))
(( segid "PAH " and resid 330 and name HA ))
ASSI { 523}
(( segid "PAH " and resid 336 and name HB2 ))
(( segid "PAH " and resid 333 and name HA ))
2.900 1.100 1.100 peak 523 spectrum 1 weight 0.10000E+01 volume 0.16874E-02 ppm1 4.406 ppm2 2.249 CV 1
OR { 523}
(( segid "PAH " and resid 336 and name HB1 ))
(( segid "PAH " and resid 333 and name HA ))
ASSI { 524}
(( segid "PAH " and resid 333 and name HB1 ))
(( segid "PAH " and resid 333 and name HA ))
2.600 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.31925E-02 ppm1 4.410 ppm2 3.268 CV 1
OR { 524}
(( segid "PAH " and resid 333 and name HB2 ))
(( segid "PAH " and resid 333 and name HA ))
ASSI { 527}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 338 and name HA ))
3.600 1.600 1.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.43326E-03 ppm1 4.162 ppm2 1.356 CV 1
ASSI { 528}
(( segid "PAH " and resid 338 and name HB1 ))
(( segid "PAH " and resid 338 and name HA ))
2.300 0.700 0.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.67554E-02 ppm1 4.164 ppm2 2.161 CV 1
OR { 528}
(( segid "PAH " and resid 338 and name HB2 ))
(( segid "PAH " and resid 338 and name HA ))
ASSI { 538}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 361 and name HA ))
2.900 1.000 1.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.26680E-02 ppm1 3.934 ppm2 1.998 CV 1
ASSI { 539}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 361 and name HA ))
3.800 1.800 1.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.60428E-03 ppm1 3.936 ppm2 0.720 CV 1
ASSI { 545}
(( segid "PAH " and resid 337 and name HB2 ))
(( segid "PAH " and resid 337 and name HA ))
2.100 0.500 0.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.11231E-01 ppm1 3.897 ppm2 1.843 CV 1
ASSI { 546}
(( segid "PAH " and resid 343 and name HB2 ))
(( segid "PAH " and resid 343 and name HA ))
2.100 0.500 0.500 peak 546 spectrum 1 weight 0.10000E+01 volume 0.14081E-01 ppm1 4.133 ppm2 1.910 CV 1
OR { 546}
(( segid "PAH " and resid 343 and name HB1 ))
(( segid "PAH " and resid 343 and name HA ))
ASSI { 547}
(( segid "PAH " and resid 343 and name HD1 ))
(( segid "PAH " and resid 343 and name HA ))
3.100 1.200 1.200 peak 547 spectrum 1 weight 0.10000E+01 volume 0.23288E-02 ppm1 4.136 ppm2 1.679 CV 1
OR { 547}
(( segid "PAH " and resid 343 and name HD2 ))
(( segid "PAH " and resid 343 and name HA ))
ASSI { 548}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HA ))
2.700 0.900 0.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.24086E-02 ppm1 4.134 ppm2 1.517 CV 1
ASSI { 549}
(( segid "PAH " and resid 343 and name HG2 ))
(( segid "PAH " and resid 343 and name HA ))
2.700 0.900 0.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.30215E-02 ppm1 4.140 ppm2 1.442 CV 1
ASSI { 550}
(( segid "PAH " and resid 344 and name HG1 ))
(( segid "PAH " and resid 344 and name HA ))
3.000 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.23230E-02 ppm1 4.162 ppm2 2.356 CV 1
ASSI { 554}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 332 and name HA ))
2.700 0.900 0.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.33065E-02 ppm1 3.909 ppm2 0.564 CV 1
OR { 554}
( segid "PAH " and resid 332 and name HD2%)
(( segid "PAH " and resid 332 and name HA ))
ASSI { 556}
(( segid "PAH " and resid 332 and name HG ))
(( segid "PAH " and resid 332 and name HA ))
3.000 1.100 1.100 peak 556 spectrum 1 weight 0.10000E+01 volume 0.15421E-02 ppm1 3.918 ppm2 1.244 CV 1
OR { 556}
(( segid "PAH " and resid 332 and name HB2 ))
(( segid "PAH " and resid 332 and name HA ))
ASSI { 557}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 339 and name HA ))
2.800 1.000 1.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.19382E-02 ppm1 3.906 ppm2 1.430 CV 1
ASSI { 558}
(( segid "PAH " and resid 332 and name HB1 ))
(( segid "PAH " and resid 332 and name HA ))
3.000 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.11373E-02 ppm1 3.910 ppm2 1.696 CV 1
ASSI { 559}
(( segid "PAH " and resid 339 and name HB1 ))
(( segid "PAH " and resid 339 and name HA ))
2.600 0.900 0.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.39906E-02 ppm1 3.903 ppm2 1.992 CV 1
ASSI { 561}
(( segid "PAH " and resid 335 and name HB1 ))
(( segid "PAH " and resid 332 and name HA ))
3.600 1.600 1.600 peak 561 spectrum 1 weight 0.10000E+01 volume 0.36485E-03 ppm1 3.900 ppm2 3.172 CV 1
ASSI { 562}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 339 and name HA ))
2.300 0.700 0.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.63564E-02 ppm1 3.901 ppm2 1.903 CV 1
ASSI { 565}
( segid "PAH " and resid 329 and name HD1%)
(( segid "PAH " and resid 329 and name HA ))
2.800 0.900 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.33635E-02 ppm1 3.505 ppm2 0.743 CV 1
ASSI { 566}
(( segid "PAH " and resid 329 and name HB2 ))
(( segid "PAH " and resid 329 and name HA ))
3.300 1.400 1.400 peak 566 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 3.511 ppm2 1.128 CV 1
ASSI { 567}
(( segid "PAH " and resid 329 and name HG ))
(( segid "PAH " and resid 329 and name HA ))
3.500 1.500 1.500 peak 567 spectrum 1 weight 0.10000E+01 volume 0.58148E-03 ppm1 3.502 ppm2 1.356 CV 1
ASSI { 568}
(( segid "PAH " and resid 332 and name HB1 ))
(( segid "PAH " and resid 329 and name HA ))
4.400 2.400 1.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.46177E-03 ppm1 3.502 ppm2 1.699 CV 1
ASSI { 569}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 365 and name HA ))
2.700 2.700 3.300 peak 569 spectrum 1 weight 0.10000E+01 volume 0.32210E-02 ppm1 4.034 ppm2 0.729 CV 1
ASSI { 571}
(( segid "PAH " and resid 365 and name HB2 ))
(( segid "PAH " and resid 365 and name HA ))
2.800 1.000 1.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.18242E-02 ppm1 4.031 ppm2 1.330 CV 1
ASSI { 572}
(( segid "PAH " and resid 365 and name HB1 ))
(( segid "PAH " and resid 365 and name HA ))
2.900 1.100 1.100 peak 572 spectrum 1 weight 0.10000E+01 volume 0.19297E-02 ppm1 4.036 ppm2 1.447 CV 1
ASSI { 578}
(( segid "PAH " and resid 378 and name HG1 ))
(( segid "PAH " and resid 378 and name HA ))
3.000 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.23915E-02 ppm1 3.982 ppm2 2.195 CV 1
ASSI { 582}
(( segid "PAH " and resid 372 and name HB2 ))
(( segid "PAH " and resid 372 and name HA ))
3.300 1.400 1.400 peak 582 spectrum 1 weight 0.10000E+01 volume 0.10261E-02 ppm1 4.385 ppm2 1.014 CV 1
ASSI { 584}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 312 and name HA ))
3.100 1.200 1.200 peak 584 spectrum 1 weight 0.10000E+01 volume 0.15364E-02 ppm1 4.392 ppm2 1.476 CV 1
ASSI { 586}
(( segid "PAH " and resid 372 and name HB1 ))
(( segid "PAH " and resid 372 and name HA ))
2.700 0.900 0.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.20637E-02 ppm1 4.379 ppm2 1.658 CV 1
ASSI { 587}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 323 and name HA ))
2.500 0.800 0.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.49312E-02 ppm1 4.382 ppm2 1.850 CV 1
OR { 587}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 323 and name HA ))
ASSI { 588}
(( segid "PAH " and resid 375 and name HB2 ))
(( segid "PAH " and resid 372 and name HA ))
3.000 1.200 1.200 peak 588 spectrum 1 weight 0.10000E+01 volume 0.11174E-02 ppm1 4.399 ppm2 2.105 CV 1
ASSI { 590}
(( segid "PAH " and resid 323 and name HB2 ))
(( segid "PAH " and resid 323 and name HA ))
2.400 0.700 0.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.55298E-02 ppm1 4.384 ppm2 2.594 CV 1
ASSI { 591}
(( segid "PAH " and resid 323 and name HB1 ))
(( segid "PAH " and resid 323 and name HA ))
2.300 0.700 0.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.77249E-02 ppm1 4.385 ppm2 2.689 CV 1
ASSI { 592}
(( segid "PAH " and resid 312 and name HB1 ))
(( segid "PAH " and resid 312 and name HA ))
2.400 0.700 0.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.85511E-02 ppm1 4.395 ppm2 2.910 CV 1
ASSI { 593}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 323 and name HA ))
3.600 1.600 1.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.73538E-03 ppm1 4.388 ppm2 1.374 CV 1
ASSI { 594}
(( segid "PAH " and resid 297 and name HB2 ))
(( segid "PAH " and resid 297 and name HA ))
2.700 0.900 0.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.28133E-02 ppm1 4.306 ppm2 1.959 CV 1
ASSI { 596}
(( segid "PAH " and resid 319 and name HB1 ))
(( segid "PAH " and resid 316 and name HA ))
3.100 1.200 1.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.20437E-02 ppm1 4.340 ppm2 2.225 CV 1
ASSI { 597}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 316 and name HA ))
2.900 1.000 1.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.26623E-02 ppm1 4.344 ppm2 2.439 CV 1
OR { 597}
(( segid "PAH " and resid 319 and name HG2 ))
(( segid "PAH " and resid 316 and name HA ))
ASSI { 598}
(( segid "PAH " and resid 316 and name HB2 ))
(( segid "PAH " and resid 316 and name HA ))
2.400 0.700 0.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.59858E-02 ppm1 4.345 ppm2 2.652 CV 1
ASSI { 600}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 317 and name HA ))
3.800 1.800 1.800 peak 600 spectrum 1 weight 0.10000E+01 volume 0.41331E-03 ppm1 3.828 ppm2 0.597 CV 1
ASSI { 601}
(( segid "PAH " and resid 317 and name HG1 ))
(( segid "PAH " and resid 317 and name HA ))
3.800 1.800 1.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.45606E-03 ppm1 3.817 ppm2 0.928 CV 1
ASSI { 602}
(( segid "PAH " and resid 317 and name HB2 ))
(( segid "PAH " and resid 317 and name HA ))
3.500 1.500 1.500 peak 602 spectrum 1 weight 0.10000E+01 volume 0.60998E-03 ppm1 3.821 ppm2 1.084 CV 1
ASSI { 603}
(( segid "PAH " and resid 317 and name HB1 ))
(( segid "PAH " and resid 317 and name HA ))
3.400 1.500 1.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.60998E-03 ppm1 3.823 ppm2 1.577 CV 1
ASSI { 605}
( segid "PAH " and resid 296 and name HD2%)
(( segid "PAH " and resid 296 and name HA ))
2.600 0.800 0.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.38481E-02 ppm1 4.391 ppm2 0.882 CV 1
ASSI { 606}
(( segid "PAH " and resid 296 and name HB2 ))
(( segid "PAH " and resid 296 and name HA ))
2.400 0.700 0.700 peak 606 spectrum 1 weight 0.10000E+01 volume 0.52732E-02 ppm1 4.391 ppm2 1.611 CV 1
OR { 606}
(( segid "PAH " and resid 296 and name HB1 ))
(( segid "PAH " and resid 296 and name HA ))
ASSI { 607}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 327 and name HA ))
2.200 0.600 0.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.84086E-02 ppm1 4.100 ppm2 1.519 CV 1
ASSI { 608}
(( segid "PAH " and resid 330 and name HB2 ))
(( segid "PAH " and resid 327 and name HA ))
2.600 0.900 0.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.29074E-02 ppm1 4.100 ppm2 2.068 CV 1
OR { 608}
(( segid "PAH " and resid 330 and name HB1 ))
(( segid "PAH " and resid 327 and name HA ))
ASSI { 609}
(( segid "PAH " and resid 330 and name HG2 ))
(( segid "PAH " and resid 327 and name HA ))
3.500 1.600 1.600 peak 609 spectrum 1 weight 0.10000E+01 volume 0.64419E-03 ppm1 4.105 ppm2 2.289 CV 1
OR { 609}
(( segid "PAH " and resid 330 and name HG1 ))
(( segid "PAH " and resid 327 and name HA ))
ASSI { 610}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 360 and name HA ))
2.600 0.800 0.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.35915E-02 ppm1 3.987 ppm2 1.179 CV 1
ASSI { 611}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 360 and name HA ))
2.200 0.600 0.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.89786E-02 ppm1 3.987 ppm2 1.537 CV 1
ASSI { 612}
( segid "PAH " and resid 359 and name HD% )
(( segid "PAH " and resid 360 and name HA ))
3.500 1.500 1.500 peak 612 spectrum 1 weight 0.10000E+01 volume 0.61283E-03 ppm1 3.985 ppm2 -0.899 CV 1
ASSI { 616}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 353 and name HA ))
2.500 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.43896E-02 ppm1 4.648 ppm2 0.907 CV 1
ASSI { 618}
(( segid "PAH " and resid 353 and name HB1 ))
(( segid "PAH " and resid 353 and name HA ))
2.600 0.900 0.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.28133E-02 ppm1 4.651 ppm2 1.658 CV 1
OR { 618}
(( segid "PAH " and resid 353 and name HG ))
(( segid "PAH " and resid 353 and name HA ))
ASSI { 619}
(( segid "PAH " and resid 357 and name HB2 ))
(( segid "PAH " and resid 353 and name HA ))
3.900 1.900 1.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.38481E-03 ppm1 4.642 ppm2 2.079 CV 1
ASSI { 620}
(( segid "PAH " and resid 357 and name HG2 ))
(( segid "PAH " and resid 353 and name HA ))
3.300 1.400 1.400 peak 620 spectrum 1 weight 0.10000E+01 volume 0.77249E-03 ppm1 4.653 ppm2 2.338 CV 1
OR { 620}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 353 and name HA ))
OR { 620}
(( segid "PAH " and resid 357 and name HG1 ))
(( segid "PAH " and resid 353 and name HA ))
ASSI { 621}
(( segid "PAH " and resid 344 and name HB2 ))
(( segid "PAH " and resid 341 and name HA ))
3.300 1.300 1.300 peak 621 spectrum 1 weight 0.10000E+01 volume 0.73538E-03 ppm1 4.348 ppm2 1.942 CV 1
ASSI { 622}
(( segid "PAH " and resid 344 and name HB1 ))
(( segid "PAH " and resid 341 and name HA ))
4.400 2.400 1.600 peak 622 spectrum 1 weight 0.10000E+01 volume 0.47317E-03 ppm1 4.350 ppm2 2.058 CV 1
ASSI { 623}
(( segid "PAH " and resid 341 and name HB2 ))
(( segid "PAH " and resid 341 and name HA ))
2.700 0.900 0.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.31925E-02 ppm1 4.351 ppm2 2.446 CV 1
ASSI { 624}
(( segid "PAH " and resid 341 and name HB1 ))
(( segid "PAH " and resid 341 and name HA ))
2.700 0.900 0.900 peak 624 spectrum 1 weight 0.10000E+01 volume 0.25853E-02 ppm1 4.347 ppm2 2.731 CV 1
ASSI { 629}
( segid "PAH " and resid 307 and name HB% )
(( segid "PAH " and resid 307 and name HA ))
2.800 1.000 1.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.18670E-02 ppm1 4.138 ppm2 1.609 CV 1
ASSI { 633}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 318 and name HA ))
3.600 1.600 1.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.69552E-03 ppm1 4.894 ppm2 2.439 CV 1
ASSI { 634}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 318 and name HA ))
3.800 1.800 1.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.36485E-03 ppm1 4.895 ppm2 2.363 CV 1
ASSI { 635}
(( segid "PAH " and resid 318 and name HB1 ))
(( segid "PAH " and resid 318 and name HA ))
3.200 1.300 1.300 peak 635 spectrum 1 weight 0.10000E+01 volume 0.80953E-03 ppm1 4.895 ppm2 3.897 CV 1
ASSI { 637}
(( segid "PAH " and resid 306 and name HB1 ))
(( segid "PAH " and resid 306 and name HA ))
3.300 1.300 1.300 peak 637 spectrum 1 weight 0.10000E+01 volume 0.86936E-03 ppm1 4.849 ppm2 3.344 CV 1
OR { 637}
(( segid "PAH " and resid 306 and name HB2 ))
(( segid "PAH " and resid 306 and name HA ))
ASSI { 638}
(( segid "PAH " and resid 382 and name HB2 ))
(( segid "PAH " and resid 382 and name HA ))
2.500 0.800 0.800 peak 638 spectrum 1 weight 0.10000E+01 volume 0.42756E-02 ppm1 4.454 ppm2 2.524 CV 1
ASSI { 639}
(( segid "PAH " and resid 382 and name HB1 ))
(( segid "PAH " and resid 382 and name HA ))
2.500 0.800 0.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.43041E-02 ppm1 4.453 ppm2 2.628 CV 1
ASSI { 644}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 321 and name HA ))
2.700 0.900 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.26395E-02 ppm1 4.957 ppm2 2.369 CV 1
OR { 644}
(( segid "PAH " and resid 321 and name HG2 ))
(( segid "PAH " and resid 321 and name HA ))
ASSI { 646}
(( segid "PAH " and resid 322 and name HD2 ))
(( segid "PAH " and resid 321 and name HA ))
2.900 1.000 1.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.12684E-02 ppm1 4.957 ppm2 3.443 CV 1
ASSI { 647}
(( segid "PAH " and resid 322 and name HD1 ))
(( segid "PAH " and resid 321 and name HA ))
2.900 1.100 1.100 peak 647 spectrum 1 weight 0.10000E+01 volume 0.22176E-02 ppm1 4.960 ppm2 3.764 CV 1
ASSI { 658}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 345 and name HA ))
2.100 0.500 0.500 peak 658 spectrum 1 weight 0.10000E+01 volume 0.13283E-01 ppm1 4.324 ppm2 1.419 CV 1
ASSI { 661}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 380 and name HA ))
3.200 1.300 1.300 peak 661 spectrum 1 weight 0.10000E+01 volume 0.85800E-03 ppm1 4.412 ppm2 1.519 CV 1
OR { 661}
(( segid "PAH " and resid 380 and name HG ))
(( segid "PAH " and resid 380 and name HA ))
ASSI { 663}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 380 and name HA ))
3.100 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.90358E-03 ppm1 4.410 ppm2 3.685 CV 1
ASSI { 664}
(( segid "PAH " and resid 380 and name HB2 ))
(( segid "PAH " and resid 380 and name HA ))
3.400 1.400 1.400 peak 664 spectrum 1 weight 0.10000E+01 volume 0.83803E-03 ppm1 4.406 ppm2 1.399 CV 1
ASSI { 665}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 369 and name HA ))
2.800 1.000 1.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.21264E-02 ppm1 4.800 ppm2 1.838 CV 1
OR { 665}
(( segid "PAH " and resid 369 and name HB2 ))
(( segid "PAH " and resid 369 and name HA ))
ASSI { 666}
(( segid "PAH " and resid 369 and name HG2 ))
(( segid "PAH " and resid 369 and name HA ))
3.700 1.700 1.700 peak 666 spectrum 1 weight 0.10000E+01 volume 0.45606E-03 ppm1 4.799 ppm2 2.295 CV 1
ASSI { 667}
(( segid "PAH " and resid 369 and name HG1 ))
(( segid "PAH " and resid 369 and name HA ))
4.000 2.000 2.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.32495E-03 ppm1 4.799 ppm2 2.396 CV 1
ASSI { 675}
(( segid "PAH " and resid 381 and name HD2 ))
(( segid "PAH " and resid 381 and name HG2 ))
2.400 0.700 0.700 peak 675 spectrum 1 weight 0.10000E+01 volume 0.49027E-02 ppm1 2.042 ppm2 3.537 CV 1
OR { 675}
(( segid "PAH " and resid 381 and name HD2 ))
(( segid "PAH " and resid 381 and name HG1 ))
ASSI { 676}
(( segid "PAH " and resid 322 and name HD2 ))
(( segid "PAH " and resid 322 and name HG1 ))
2.700 0.900 0.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.25483E-02 ppm1 2.094 ppm2 3.445 CV 1
OR { 676}
(( segid "PAH " and resid 322 and name HD2 ))
(( segid "PAH " and resid 322 and name HG2 ))
ASSI { 677}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 351 and name HG1 ))
4.000 2.000 2.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.28789E-03 ppm1 2.069 ppm2 -1.195 CV 1
ASSI { 680}
( segid "PAH " and resid 354 and name HG2%)
(( segid "PAH " and resid 351 and name HG2 ))
4.100 2.100 1.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.20779E-03 ppm1 1.957 ppm2 1.342 CV 1
ASSI { 681}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 351 and name HG2 ))
4.000 2.000 2.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.90358E-03 ppm1 1.956 ppm2 1.435 CV 1
ASSI { 682}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 351 and name HG1 ))
2.900 1.000 1.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.13340E-02 ppm1 2.058 ppm2 1.431 CV 1
ASSI { 685}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 351 and name HG2 ))
3.400 1.500 1.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.13767E-02 ppm1 1.957 ppm2 4.352 CV 1
ASSI { 686}
(( segid "PAH " and resid 351 and name HD2 ))
(( segid "PAH " and resid 351 and name HG2 ))
2.300 0.700 0.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.61569E-02 ppm1 1.957 ppm2 3.700 CV 1
OR { 686}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 351 and name HG2 ))
ASSI { 690}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 373 and name HG ))
3.700 1.700 1.700 peak 690 spectrum 1 weight 0.10000E+01 volume 0.61283E-03 ppm1 1.866 ppm2 1.171 CV 1
ASSI { 692}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 373 and name HG ))
3.300 1.300 1.300 peak 692 spectrum 1 weight 0.10000E+01 volume 0.86082E-03 ppm1 1.873 ppm2 4.429 CV 1
ASSI { 696}
(( segid "PAH " and resid 340 and name HB1 ))
(( segid "PAH " and resid 340 and name HG1 ))
2.200 0.600 0.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.15307E-01 ppm1 1.695 ppm2 1.887 CV 1
ASSI { 699}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HG1 ))
2.900 1.100 1.100 peak 699 spectrum 1 weight 0.10000E+01 volume 0.24000E-02 ppm1 1.693 ppm2 4.058 CV 1
ASSI { 700}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HG2 ))
2.600 0.900 0.900 peak 700 spectrum 1 weight 0.10000E+01 volume 0.27278E-02 ppm1 1.574 ppm2 4.055 CV 1
ASSI { 701}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 340 and name HG1 ))
3.500 1.500 1.500 peak 701 spectrum 1 weight 0.10000E+01 volume 0.53302E-03 ppm1 1.691 ppm2 3.897 CV 1
ASSI { 703}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HG1 ))
2.600 0.800 0.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.39906E-02 ppm1 1.799 ppm2 4.028 CV 1
ASSI { 704}
(( segid "PAH " and resid 364 and name HD1 ))
(( segid "PAH " and resid 364 and name HG1 ))
2.500 0.800 0.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.42756E-02 ppm1 1.801 ppm2 3.200 CV 1
OR { 704}
(( segid "PAH " and resid 364 and name HD2 ))
(( segid "PAH " and resid 364 and name HG1 ))
ASSI { 705}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HG1 ))
1.900 0.400 0.400 peak 705 spectrum 1 weight 0.10000E+01 volume 0.13454E-01 ppm1 1.801 ppm2 1.561 CV 1
ASSI { 706}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 353 and name HG ))
3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.85229E-03 ppm1 1.649 ppm2 4.635 CV 1
ASSI { 707}
(( segid "PAH " and resid 296 and name HA ))
(( segid "PAH " and resid 296 and name HG ))
3.200 1.300 1.300 peak 707 spectrum 1 weight 0.10000E+01 volume 0.11972E-02 ppm1 1.636 ppm2 4.379 CV 1
ASSI { 710}
(( segid "PAH " and resid 319 and name HG2 ))
(( segid "PAH " and resid 319 and name HB2 ))
2.000 0.500 0.500 peak 710 spectrum 1 weight 0.10000E+01 volume 0.18299E-01 ppm1 2.093 ppm2 2.438 CV 1
OR { 710}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 319 and name HB2 ))
ASSI { 711}
(( segid "PAH " and resid 319 and name HA ))
(( segid "PAH " and resid 319 and name HB1 ))
2.600 0.800 0.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.47317E-02 ppm1 2.230 ppm2 4.045 CV 1
ASSI { 715}
( segid "PAH " and resid 314 and name HD1%)
(( segid "PAH " and resid 314 and name HG12))
3.000 1.200 1.200 peak 715 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 0.568 ppm2 -0.009 CV 1
OR { 715}
(( segid "PAH " and resid 314 and name HN ))
(( segid "PAH " and resid 314 and name HG12))
ASSI { 717}
(( segid "PAH " and resid 343 and name HG2 ))
(( segid "PAH " and resid 343 and name HD2 ))
1.900 0.400 0.400 peak 717 spectrum 1 weight 0.10000E+01 volume 0.23259E-01 ppm1 1.679 ppm2 1.445 CV 1
OR { 717}
(( segid "PAH " and resid 343 and name HG2 ))
(( segid "PAH " and resid 343 and name HD1 ))
ASSI { 718}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HD1 ))
1.900 0.500 0.500 peak 718 spectrum 1 weight 0.10000E+01 volume 0.22205E-01 ppm1 1.679 ppm2 1.522 CV 1
OR { 718}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HD2 ))
ASSI { 721}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 326 and name HD2 ))
3.300 1.400 1.400 peak 721 spectrum 1 weight 0.10000E+01 volume 0.95487E-03 ppm1 1.674 ppm2 4.364 CV 1
OR { 721}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 326 and name HD1 ))
ASSI { 723}
(( segid "PAH " and resid 331 and name HA ))
(( segid "PAH " and resid 331 and name HG11))
3.400 1.400 1.400 peak 723 spectrum 1 weight 0.10000E+01 volume 0.89215E-03 ppm1 1.769 ppm2 3.719 CV 1
ASSI { 724}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HD2 ))
3.000 1.100 1.100 peak 724 spectrum 1 weight 0.10000E+01 volume 0.22718E-02 ppm1 1.762 ppm2 4.033 CV 1
OR { 724}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HD1 ))
ASSI { 725}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HD2 ))
1.900 0.500 0.500 peak 725 spectrum 1 weight 0.10000E+01 volume 0.21805E-01 ppm1 1.763 ppm2 1.469 CV 1
OR { 725}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HD1 ))
OR { 725}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HD2 ))
OR { 725}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HD1 ))
ASSI { 726}
(( segid "PAH " and resid 331 and name HG12))
(( segid "PAH " and resid 331 and name HG11))
2.200 0.600 0.600 peak 726 spectrum 1 weight 0.10000E+01 volume 0.42471E-02 ppm1 1.766 ppm2 1.033 CV 1
ASSI { 727}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HD1 ))
2.600 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.35630E-02 ppm1 1.766 ppm2 0.743 CV 1
OR { 727}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HD2 ))
ASSI { 728}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 331 and name HG11))
2.500 0.800 0.800 peak 728 spectrum 1 weight 0.10000E+01 volume 0.39336E-02 ppm1 1.763 ppm2 0.685 CV 1
ASSI { 729}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 355 and name HB1 ))
3.000 1.100 1.100 peak 729 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 2.256 ppm2 3.751 CV 1
ASSI { 730}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 355 and name HB2 ))
2.700 0.900 0.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.30500E-02 ppm1 1.991 ppm2 3.743 CV 1
ASSI { 731}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 355 and name HB1 ))
3.800 1.800 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.30785E-03 ppm1 2.258 ppm2 0.791 CV 1
OR { 731}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 355 and name HB1 ))
ASSI { 733}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 336 and name HB1 ))
2.900 1.000 1.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 2.249 ppm2 3.824 CV 1
OR { 733}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 336 and name HB2 ))
ASSI { 738}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 365 and name HG ))
3.300 1.300 1.300 peak 738 spectrum 1 weight 0.10000E+01 volume 0.86082E-03 ppm1 1.585 ppm2 0.095 CV 1
ASSI { 742}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 365 and name HG ))
2.600 0.800 0.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.31925E-02 ppm1 1.585 ppm2 0.729 CV 1
ASSI { 743}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 365 and name HG ))
2.800 1.000 1.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.21577E-02 ppm1 1.598 ppm2 0.808 CV 1
ASSI { 746}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 332 and name HG ))
2.200 0.600 0.600 peak 746 spectrum 1 weight 0.10000E+01 volume 0.94916E-02 ppm1 1.262 ppm2 0.543 CV 1
OR { 746}
( segid "PAH " and resid 332 and name HD2%)
(( segid "PAH " and resid 332 and name HG ))
ASSI { 747}
(( segid "PAH " and resid 365 and name HB2 ))
(( segid "PAH " and resid 365 and name HG ))
2.300 0.700 0.700 peak 747 spectrum 1 weight 0.10000E+01 volume 0.58718E-02 ppm1 1.582 ppm2 1.329 CV 1
ASSI { 751}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 326 and name HG1 ))
2.300 0.600 0.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.72113E-02 ppm1 1.577 ppm2 1.850 CV 1
OR { 751}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 326 and name HG1 ))
ASSI { 752}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 326 and name HG2 ))
2.200 0.600 0.600 peak 752 spectrum 1 weight 0.10000E+01 volume 0.92926E-02 ppm1 1.368 ppm2 1.848 CV 1
OR { 752}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 326 and name HG2 ))
ASSI { 753}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HG2 ))
2.000 0.500 0.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.15192E-01 ppm1 1.371 ppm2 1.664 CV 1
OR { 753}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HG2 ))
ASSI { 754}
(( segid "PAH " and resid 326 and name HG1 ))
(( segid "PAH " and resid 326 and name HG2 ))
1.900 0.400 0.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.14309E-01 ppm1 1.371 ppm2 1.579 CV 1
ASSI { 765}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HG2 ))
1.900 0.500 0.500 peak 765 spectrum 1 weight 0.10000E+01 volume 0.11943E-01 ppm1 1.155 ppm2 1.548 CV 1
ASSI { 767}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HG2 ))
2.700 0.900 0.900 peak 767 spectrum 1 weight 0.10000E+01 volume 0.30785E-02 ppm1 1.154 ppm2 1.974 CV 1
OR { 767}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 313 and name HG2 ))
ASSI { 772}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 313 and name HG2 ))
3.000 1.100 1.100 peak 772 spectrum 1 weight 0.10000E+01 volume 0.14566E-02 ppm1 1.156 ppm2 3.968 CV 1
ASSI { 775}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 373 and name HD1%)
3.500 1.600 1.600 peak 775 spectrum 1 weight 0.10000E+01 volume 0.89504E-03 ppm1 0.969 ppm2 -0.154 CV 1
ASSI { 777}
(( segid "PAH " and resid 353 and name HA ))
( segid "PAH " and resid 353 and name HD1%)
2.400 0.700 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.57578E-02 ppm1 0.916 ppm2 4.638 CV 1
OR { 777}
(( segid "PAH " and resid 353 and name HA ))
( segid "PAH " and resid 353 and name HD2%)
ASSI { 782}
(( segid "PAH " and resid 363 and name HA ))
( segid "PAH " and resid 373 and name HD1%)
2.400 0.700 0.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.46177E-02 ppm1 0.965 ppm2 3.790 CV 1
ASSI { 784}
(( segid "PAH " and resid 373 and name HG ))
( segid "PAH " and resid 373 and name HD1%)
2.400 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.52162E-02 ppm1 0.966 ppm2 1.867 CV 1
ASSI { 785}
(( segid "PAH " and resid 373 and name HB1 ))
( segid "PAH " and resid 373 and name HD1%)
2.600 0.900 0.900 peak 785 spectrum 1 weight 0.10000E+01 volume 0.50452E-02 ppm1 0.964 ppm2 2.162 CV 1
ASSI { 786}
(( segid "PAH " and resid 357 and name HB2 ))
( segid "PAH " and resid 353 and name HD1%)
2.400 0.700 0.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.83514E-02 ppm1 0.921 ppm2 2.080 CV 1
OR { 786}
(( segid "PAH " and resid 357 and name HB2 ))
( segid "PAH " and resid 353 and name HD2%)
ASSI { 787}
(( segid "PAH " and resid 357 and name HG2 ))
( segid "PAH " and resid 353 and name HD1%)
2.200 0.600 0.600 peak 787 spectrum 1 weight 0.10000E+01 volume 0.93491E-02 ppm1 0.918 ppm2 2.338 CV 1
OR { 787}
(( segid "PAH " and resid 357 and name HG1 ))
( segid "PAH " and resid 353 and name HD1%)
OR { 787}
(( segid "PAH " and resid 357 and name HG1 ))
( segid "PAH " and resid 353 and name HD2%)
OR { 787}
(( segid "PAH " and resid 357 and name HG2 ))
( segid "PAH " and resid 353 and name HD2%)
OR { 787}
(( segid "PAH " and resid 357 and name HB1 ))
( segid "PAH " and resid 353 and name HD1%)
ASSI { 788}
(( segid "PAH " and resid 335 and name HB2 ))
( segid "PAH " and resid 353 and name HD2%)
2.600 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.35060E-02 ppm1 0.922 ppm2 2.986 CV 1
OR { 788}
(( segid "PAH " and resid 335 and name HB2 ))
( segid "PAH " and resid 353 and name HD1%)
ASSI { 791}
( segid "PAH " and resid 335 and name HE% )
( segid "PAH " and resid 353 and name HD2%)
3.500 1.600 1.600 peak 791 spectrum 1 weight 0.10000E+01 volume 0.80953E-03 ppm1 0.921 ppm2 -1.301 CV 1
OR { 791}
( segid "PAH " and resid 335 and name HE% )
( segid "PAH " and resid 353 and name HD1%)
ASSI { 793}
( segid "PAH " and resid 335 and name HD% )
( segid "PAH " and resid 353 and name HD2%)
3.500 1.500 1.500 peak 793 spectrum 1 weight 0.10000E+01 volume 0.65559E-03 ppm1 0.923 ppm2 -1.109 CV 1
OR { 793}
( segid "PAH " and resid 335 and name HD% )
( segid "PAH " and resid 353 and name HD1%)
ASSI { 798}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HG2 ))
2.500 0.800 0.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.41616E-02 ppm1 1.474 ppm2 4.031 CV 1
OR { 798}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HG1 ))
ASSI { 809}
(( segid "PAH " and resid 343 and name HB2 ))
(( segid "PAH " and resid 343 and name HG1 ))
2.100 0.600 0.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.10831E-01 ppm1 1.522 ppm2 1.914 CV 1
OR { 809}
(( segid "PAH " and resid 343 and name HB1 ))
(( segid "PAH " and resid 343 and name HG1 ))
ASSI { 810}
(( segid "PAH " and resid 337 and name HD2 ))
(( segid "PAH " and resid 337 and name HG2 ))
2.000 0.500 0.500 peak 810 spectrum 1 weight 0.10000E+01 volume 0.13796E-01 ppm1 1.352 ppm2 1.614 CV 1
OR { 810}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 337 and name HG2 ))
ASSI { 811}
(( segid "PAH " and resid 337 and name HB2 ))
(( segid "PAH " and resid 337 and name HG2 ))
2.600 0.900 0.900 peak 811 spectrum 1 weight 0.10000E+01 volume 0.51307E-02 ppm1 1.348 ppm2 1.822 CV 1
ASSI { 812}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 337 and name HG2 ))
2.400 0.700 0.700 peak 812 spectrum 1 weight 0.10000E+01 volume 0.42471E-02 ppm1 1.349 ppm2 1.889 CV 1
ASSI { 815}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HG1 ))
2.700 0.900 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.23202E-02 ppm1 1.450 ppm2 3.881 CV 1
ASSI { 816}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HG2 ))
3.100 1.200 1.200 peak 816 spectrum 1 weight 0.10000E+01 volume 0.15905E-02 ppm1 1.347 ppm2 3.878 CV 1
ASSI { 817}
(( segid "PAH " and resid 324 and name HA ))
( segid "PAH " and resid 327 and name HB% )
2.800 1.000 1.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.19639E-02 ppm1 1.524 ppm2 3.699 CV 1
ASSI { 818}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 330 and name HG2 ))
2.500 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.39621E-02 ppm1 2.257 ppm2 4.075 CV 1
ASSI { 820}
(( segid "PAH " and resid 330 and name HB2 ))
(( segid "PAH " and resid 330 and name HG2 ))
2.000 0.500 0.500 peak 820 spectrum 1 weight 0.10000E+01 volume 0.20010E-01 ppm1 2.260 ppm2 2.065 CV 1
OR { 820}
(( segid "PAH " and resid 330 and name HB1 ))
(( segid "PAH " and resid 330 and name HG2 ))
ASSI { 821}
(( segid "PAH " and resid 330 and name HB1 ))
(( segid "PAH " and resid 330 and name HG1 ))
1.900 0.500 0.500 peak 821 spectrum 1 weight 0.10000E+01 volume 0.18271E-01 ppm1 2.311 ppm2 2.066 CV 1
OR { 821}
(( segid "PAH " and resid 330 and name HB2 ))
(( segid "PAH " and resid 330 and name HG1 ))
ASSI { 822}
(( segid "PAH " and resid 356 and name HB2 ))
(( segid "PAH " and resid 356 and name HA ))
1.900 0.500 0.500 peak 822 spectrum 1 weight 0.10000E+01 volume 0.20609E-01 ppm1 4.122 ppm2 2.101 CV 1
OR { 822}
(( segid "PAH " and resid 356 and name HB1 ))
(( segid "PAH " and resid 356 and name HA ))
ASSI { 823}
(( segid "PAH " and resid 356 and name HG1 ))
(( segid "PAH " and resid 356 and name HA ))
2.300 0.700 0.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.73256E-02 ppm1 4.118 ppm2 2.506 CV 1
OR { 823}
(( segid "PAH " and resid 356 and name HG2 ))
(( segid "PAH " and resid 356 and name HA ))
ASSI { 824}
(( segid "PAH " and resid 336 and name HB1 ))
(( segid "PAH " and resid 336 and name HA ))
2.600 0.800 0.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.49312E-02 ppm1 3.834 ppm2 2.259 CV 1
OR { 824}
(( segid "PAH " and resid 336 and name HG2 ))
(( segid "PAH " and resid 336 and name HA ))
ASSI { 825}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 336 and name HA ))
2.600 0.900 0.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.35060E-02 ppm1 3.839 ppm2 1.898 CV 1
ASSI { 829}
(( segid "PAH " and resid 330 and name HG1 ))
(( segid "PAH " and resid 330 and name HA ))
2.700 0.900 0.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.39051E-02 ppm1 4.065 ppm2 2.312 CV 1
ASSI { 830}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 380 and name HG ))
2.200 0.600 0.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.92637E-02 ppm1 1.536 ppm2 0.786 CV 1
OR { 830}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 380 and name HG ))
ASSI { 831}
(( segid "PAH " and resid 380 and name HA ))
(( segid "PAH " and resid 380 and name HG ))
3.200 1.300 1.300 peak 831 spectrum 1 weight 0.10000E+01 volume 0.94062E-03 ppm1 1.533 ppm2 4.407 CV 1
ASSI { 832}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HA ))
3.400 1.400 1.400 peak 832 spectrum 1 weight 0.10000E+01 volume 0.64704E-03 ppm1 3.031 ppm2 0.747 CV 1
ASSI { 833}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HA ))
2.700 0.900 0.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.19924E-02 ppm1 3.021 ppm2 1.475 CV 1
ASSI { 837}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 373 and name HG ))
2.200 0.600 0.600 peak 837 spectrum 1 weight 0.10000E+01 volume 0.10632E-01 ppm1 1.874 ppm2 1.710 CV 1
ASSI { 838}
(( segid "PAH " and resid 373 and name HB1 ))
(( segid "PAH " and resid 373 and name HG ))
2.400 0.700 0.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.42756E-02 ppm1 1.873 ppm2 2.156 CV 1
ASSI { 840}
(( segid "PAH " and resid 378 and name HA ))
(( segid "PAH " and resid 378 and name HB1 ))
2.400 0.700 0.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.51877E-02 ppm1 1.778 ppm2 3.973 CV 1
OR { 840}
(( segid "PAH " and resid 378 and name HA ))
(( segid "PAH " and resid 378 and name HB2 ))
ASSI { 841}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HD1 ))
3.300 1.400 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.18499E-02 ppm1 1.620 ppm2 3.863 CV 1
OR { 841}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HD2 ))
ASSI { 843}
(( segid "PAH " and resid 337 and name HE2 ))
(( segid "PAH " and resid 337 and name HD1 ))
2.400 0.800 0.800 peak 843 spectrum 1 weight 0.10000E+01 volume 0.46747E-02 ppm1 1.613 ppm2 2.918 CV 1
OR { 843}
(( segid "PAH " and resid 337 and name HE1 ))
(( segid "PAH " and resid 337 and name HD2 ))
OR { 843}
(( segid "PAH " and resid 337 and name HE2 ))
(( segid "PAH " and resid 337 and name HD2 ))
OR { 843}
(( segid "PAH " and resid 337 and name HE1 ))
(( segid "PAH " and resid 337 and name HD1 ))
ASSI { 845}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HD1 ))
2.100 0.500 0.500 peak 845 spectrum 1 weight 0.10000E+01 volume 0.12969E-01 ppm1 1.624 ppm2 1.439 CV 1
OR { 845}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HD2 ))
ASSI { 847}
(( segid "PAH " and resid 367 and name HB1 ))
(( segid "PAH " and resid 367 and name HD1 ))
2.400 0.700 0.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.54158E-02 ppm1 1.763 ppm2 2.012 CV 1
OR { 847}
(( segid "PAH " and resid 367 and name HB1 ))
(( segid "PAH " and resid 367 and name HD2 ))
ASSI { 848}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 326 and name HD2 ))
2.000 0.500 0.500 peak 848 spectrum 1 weight 0.10000E+01 volume 0.16789E-01 ppm1 1.674 ppm2 1.855 CV 1
OR { 848}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 326 and name HD2 ))
OR { 848}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 326 and name HD1 ))
OR { 848}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 326 and name HD1 ))
ASSI { 852}
(( segid "PAH " and resid 297 and name HA ))
(( segid "PAH " and resid 297 and name HB1 ))
2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.58718E-02 ppm1 2.077 ppm2 4.299 CV 1
ASSI { 857}
( segid "PAH " and resid 372 and name HD2%)
( segid "PAH " and resid 314 and name HD1%)
2.700 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.27934E-02 ppm1 -0.008 ppm2 0.210 CV 1
ASSI { 859}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HD2 ))
2.200 0.600 0.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.11316E-01 ppm1 1.689 ppm2 1.973 CV 1
OR { 859}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 313 and name HD1 ))
OR { 859}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 313 and name HD1 ))
OR { 859}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 313 and name HD2 ))
ASSI { 861}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HB1 ))
2.400 0.700 0.700 peak 861 spectrum 1 weight 0.10000E+01 volume 0.75824E-02 ppm1 1.889 ppm2 3.875 CV 1
ASSI { 866}
( segid "PAH " and resid 324 and name HG2%)
( segid "PAH " and resid 327 and name HB% )
3.800 1.800 1.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.53017E-03 ppm1 1.523 ppm2 0.088 CV 1
ASSI { 867}
( segid "PAH " and resid 365 and name HD2%)
( segid "PAH " and resid 327 and name HB% )
2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.56723E-02 ppm1 1.524 ppm2 0.729 CV 1
ASSI { 868}
( segid "PAH " and resid 365 and name HD1%)
( segid "PAH " and resid 327 and name HB% )
2.400 0.700 0.700 peak 868 spectrum 1 weight 0.10000E+01 volume 0.62994E-02 ppm1 1.524 ppm2 0.809 CV 1
ASSI { 875}
(( segid "PAH " and resid 328 and name HB2 ))
(( segid "PAH " and resid 328 and name HB1 ))
2.700 0.900 0.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.14879E-02 ppm1 3.434 ppm2 3.006 CV 1
ASSI { 877}
(( segid "PAH " and resid 329 and name HA ))
(( segid "PAH " and resid 329 and name HB1 ))
3.600 1.600 1.600 peak 877 spectrum 1 weight 0.10000E+01 volume 0.40761E-03 ppm1 1.819 ppm2 3.503 CV 1
ASSI { 881}
(( segid "PAH " and resid 338 and name HB2 ))
(( segid "PAH " and resid 335 and name HA ))
3.200 1.300 1.300 peak 881 spectrum 1 weight 0.10000E+01 volume 0.86654E-03 ppm1 4.057 ppm2 2.142 CV 1
OR { 881}
(( segid "PAH " and resid 338 and name HB1 ))
(( segid "PAH " and resid 335 and name HA ))
ASSI { 886}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HB1 ))
2.200 0.600 0.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.81807E-02 ppm1 1.893 ppm2 4.054 CV 1
ASSI { 890}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 340 and name HB1 ))
2.100 0.600 0.600 peak 890 spectrum 1 weight 0.10000E+01 volume 0.82089E-02 ppm1 1.896 ppm2 1.575 CV 1
ASSI { 891}
(( segid "PAH " and resid 340 and name HD1 ))
(( segid "PAH " and resid 340 and name HB2 ))
2.700 0.900 0.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.25739E-02 ppm1 1.859 ppm2 3.142 CV 1
OR { 891}
(( segid "PAH " and resid 340 and name HD2 ))
(( segid "PAH " and resid 340 and name HB2 ))
ASSI { 894}
(( segid "PAH " and resid 351 and name HB2 ))
(( segid "PAH " and resid 351 and name HD1 ))
3.100 1.200 1.200 peak 894 spectrum 1 weight 0.10000E+01 volume 0.16361E-02 ppm1 3.709 ppm2 1.861 CV 1
OR { 894}
(( segid "PAH " and resid 351 and name HB2 ))
(( segid "PAH " and resid 351 and name HD2 ))
ASSI { 897}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 351 and name HD2 ))
3.400 1.500 1.500 peak 897 spectrum 1 weight 0.10000E+01 volume 0.12114E-02 ppm1 3.721 ppm2 2.300 CV 1
OR { 897}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 351 and name HD1 ))
ASSI { 898}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 351 and name HD2 ))
3.000 1.100 1.100 peak 898 spectrum 1 weight 0.10000E+01 volume 0.15506E-02 ppm1 3.709 ppm2 4.345 CV 1
OR { 898}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 351 and name HD1 ))
ASSI { 900}
(( segid "PAH " and resid 322 and name HG1 ))
(( segid "PAH " and resid 322 and name HD1 ))
2.500 0.800 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.35915E-02 ppm1 3.774 ppm2 2.116 CV 1
ASSI { 901}
(( segid "PAH " and resid 322 and name HG1 ))
(( segid "PAH " and resid 322 and name HD2 ))
2.800 1.000 1.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.29359E-02 ppm1 3.442 ppm2 2.110 CV 1
ASSI { 902}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 322 and name HD1 ))
3.500 1.500 1.500 peak 902 spectrum 1 weight 0.10000E+01 volume 0.56723E-03 ppm1 3.772 ppm2 2.464 CV 1
ASSI { 906}
(( segid "PAH " and resid 322 and name HG2 ))
(( segid "PAH " and resid 322 and name HD2 ))
3.000 1.100 1.100 peak 906 spectrum 1 weight 0.10000E+01 volume 0.10261E-02 ppm1 3.449 ppm2 2.040 CV 1
ASSI { 907}
(( segid "PAH " and resid 380 and name HA ))
(( segid "PAH " and resid 381 and name HD2 ))
2.900 1.000 1.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.16617E-02 ppm1 3.548 ppm2 4.393 CV 1
ASSI { 908}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 381 and name HD1 ))
2.700 0.900 0.900 peak 908 spectrum 1 weight 0.10000E+01 volume 0.23602E-02 ppm1 3.703 ppm2 4.390 CV 1
ASSI { 909}
(( segid "PAH " and resid 381 and name HG1 ))
(( segid "PAH " and resid 381 and name HD1 ))
2.400 0.700 0.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.51877E-02 ppm1 3.696 ppm2 2.043 CV 1
OR { 909}
(( segid "PAH " and resid 381 and name HG2 ))
(( segid "PAH " and resid 381 and name HD1 ))
ASSI { 911}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 381 and name HD2 ))
3.400 1.400 1.400 peak 911 spectrum 1 weight 0.10000E+01 volume 0.59288E-03 ppm1 3.546 ppm2 1.524 CV 1
ASSI { 912}
(( segid "PAH " and resid 381 and name HB1 ))
(( segid "PAH " and resid 381 and name HD2 ))
3.900 1.900 1.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.46462E-03 ppm1 3.540 ppm2 2.314 CV 1
ASSI { 913}
(( segid "PAH " and resid 381 and name HB1 ))
(( segid "PAH " and resid 381 and name HD1 ))
3.600 1.700 1.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.66699E-03 ppm1 3.710 ppm2 2.304 CV 1
ASSI { 914}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 381 and name HD1 ))
4.000 2.000 2.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.59858E-03 ppm1 3.694 ppm2 1.537 CV 1
OR { 914}
(( segid "PAH " and resid 380 and name HG ))
(( segid "PAH " and resid 381 and name HD1 ))
ASSI { 915}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 381 and name HD1 ))
4.100 2.100 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.52162E-03 ppm1 3.692 ppm2 0.783 CV 1
OR { 915}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 381 and name HD1 ))
ASSI { 916}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 381 and name HD2 ))
3.600 1.600 1.600 peak 916 spectrum 1 weight 0.10000E+01 volume 0.63849E-03 ppm1 3.546 ppm2 0.792 CV 1
OR { 916}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 381 and name HD2 ))
ASSI { 919}
(( segid "PAH " and resid 332 and name HA ))
( segid "PAH " and resid 332 and name HD2%)
3.100 1.200 1.200 peak 919 spectrum 1 weight 0.10000E+01 volume 0.18727E-02 ppm1 0.544 ppm2 3.893 CV 1
ASSI { 921}
(( segid "PAH " and resid 329 and name HA ))
( segid "PAH " and resid 332 and name HD2%)
3.300 1.300 1.300 peak 921 spectrum 1 weight 0.10000E+01 volume 0.10005E-02 ppm1 0.542 ppm2 3.490 CV 1
ASSI { 922}
(( segid "PAH " and resid 332 and name HB1 ))
( segid "PAH " and resid 332 and name HD2%)
2.300 0.700 0.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.60428E-02 ppm1 0.535 ppm2 1.676 CV 1
ASSI { 924}
(( segid "PAH " and resid 332 and name HG ))
( segid "PAH " and resid 332 and name HD2%)
2.200 0.600 0.600 peak 924 spectrum 1 weight 0.10000E+01 volume 0.96912E-02 ppm1 0.535 ppm2 1.257 CV 1
OR { 924}
(( segid "PAH " and resid 332 and name HB2 ))
( segid "PAH " and resid 332 and name HD2%)
ASSI { 926}
( segid "PAH " and resid 349 and name HE% )
( segid "PAH " and resid 345 and name HB% )
3.300 1.300 1.300 peak 926 spectrum 1 weight 0.10000E+01 volume 0.58433E-03 ppm1 1.421 ppm2 -1.194 CV 1
ASSI { 927}
( segid "PAH " and resid 349 and name HD% )
( segid "PAH " and resid 345 and name HB% )
3.300 1.300 1.300 peak 927 spectrum 1 weight 0.10000E+01 volume 0.13454E-02 ppm1 1.422 ppm2 -1.063 CV 1
ASSI { 928}
(( segid "PAH " and resid 349 and name HB2 ))
( segid "PAH " and resid 345 and name HB% )
2.500 0.800 0.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.39906E-02 ppm1 1.422 ppm2 2.789 CV 1
ASSI { 929}
(( segid "PAH " and resid 349 and name HB1 ))
( segid "PAH " and resid 345 and name HB% )
2.700 0.900 0.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.29644E-02 ppm1 1.424 ppm2 2.950 CV 1
ASSI { 931}
(( segid "PAH " and resid 349 and name HA ))
( segid "PAH " and resid 345 and name HB% )
3.700 1.700 1.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 1.420 ppm2 4.517 CV 1
ASSI { 932}
(( segid "PAH " and resid 342 and name HA ))
( segid "PAH " and resid 345 and name HB% )
2.600 0.800 0.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.34205E-02 ppm1 1.420 ppm2 3.942 CV 1
ASSI { 934}
( segid "PAH " and resid 349 and name HD% )
( segid "PAH " and resid 342 and name HB% )
2.800 1.000 1.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.22090E-02 ppm1 1.434 ppm2 -1.064 CV 1
ASSI { 937}
(( segid "PAH " and resid 342 and name HA ))
( segid "PAH " and resid 342 and name HB% )
2.100 0.500 0.500 peak 937 spectrum 1 weight 0.10000E+01 volume 0.12884E-01 ppm1 1.436 ppm2 3.931 CV 1
ASSI { 938}
(( segid "PAH " and resid 351 and name HD2 ))
( segid "PAH " and resid 342 and name HB% )
3.000 1.100 1.100 peak 938 spectrum 1 weight 0.10000E+01 volume 0.17530E-02 ppm1 1.436 ppm2 3.710 CV 1
OR { 938}
(( segid "PAH " and resid 351 and name HD1 ))
( segid "PAH " and resid 342 and name HB% )
ASSI { 940}
(( segid "PAH " and resid 349 and name HB1 ))
( segid "PAH " and resid 342 and name HB% )
3.400 1.400 1.400 peak 940 spectrum 1 weight 0.10000E+01 volume 0.86654E-03 ppm1 1.440 ppm2 2.957 CV 1
ASSI { 941}
(( segid "PAH " and resid 349 and name HB2 ))
( segid "PAH " and resid 342 and name HB% )
3.700 1.700 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.15848E-02 ppm1 1.433 ppm2 2.778 CV 1
ASSI { 942}
(( segid "PAH " and resid 366 and name HZ ))
( segid "PAH " and resid 314 and name HD1%)
2.900 1.100 1.100 peak 942 spectrum 1 weight 0.10000E+01 volume 0.16133E-02 ppm1 -0.009 ppm2 6.159 CV 1
ASSI { 943}
( segid "PAH " and resid 325 and name HE% )
( segid "PAH " and resid 314 and name HG2%)
2.900 1.100 1.100 peak 943 spectrum 1 weight 0.10000E+01 volume 0.21264E-02 ppm1 0.764 ppm2 -1.283 CV 1
ASSI { 944}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 314 and name HG2%)
2.900 1.000 1.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.15905E-02 ppm1 0.763 ppm2 -1.174 CV 1
ASSI { 949}
( segid "PAH " and resid 372 and name HD2%)
( segid "PAH " and resid 314 and name HG2%)
2.900 1.100 1.100 peak 949 spectrum 1 weight 0.10000E+01 volume 0.18670E-02 ppm1 0.762 ppm2 0.221 CV 1
ASSI { 953}
(( segid "PAH " and resid 314 and name HA ))
( segid "PAH " and resid 314 and name HG2%)
2.700 0.900 0.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.26167E-02 ppm1 0.762 ppm2 3.193 CV 1
ASSI { 954}
(( segid "PAH " and resid 358 and name HA ))
( segid "PAH " and resid 331 and name HG2%)
2.800 1.000 1.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.19839E-02 ppm1 0.756 ppm2 3.406 CV 1
ASSI { 957}
(( segid "PAH " and resid 366 and name HZ ))
( segid "PAH " and resid 314 and name HG2%)
3.100 1.200 1.200 peak 957 spectrum 1 weight 0.10000E+01 volume 0.11344E-02 ppm1 0.762 ppm2 6.158 CV 1
ASSI { 962}
(( segid "PAH " and resid 323 and name HB1 ))
(( segid "PAH " and resid 323 and name HB2 ))
1.700 0.300 0.500 peak 962 spectrum 1 weight 0.10000E+01 volume 0.32210E-01 ppm1 2.596 ppm2 2.696 CV 1
ASSI { 965}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 340 and name HB2 ))
2.000 0.500 0.500 peak 965 spectrum 1 weight 0.10000E+01 volume 0.10831E-01 ppm1 1.859 ppm2 1.695 CV 1
ASSI { 978}
(( segid "PAH " and resid 314 and name HB ))
( segid "PAH " and resid 311 and name HG1%)
3.700 1.800 1.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.45036E-03 ppm1 1.037 ppm2 1.755 CV 1
ASSI { 979}
(( segid "PAH " and resid 328 and name HZ ))
( segid "PAH " and resid 332 and name HD2%)
3.500 1.600 1.600 peak 979 spectrum 1 weight 0.10000E+01 volume 0.54158E-03 ppm1 0.540 ppm2 -0.720 CV 1
ASSI { 980}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 332 and name HD2%)
3.500 1.500 1.500 peak 980 spectrum 1 weight 0.10000E+01 volume 0.53017E-03 ppm1 0.537 ppm2 -0.857 CV 1
ASSI { 981}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 332 and name HD2%)
3.200 1.200 1.200 peak 981 spectrum 1 weight 0.10000E+01 volume 0.94916E-03 ppm1 0.540 ppm2 -0.934 CV 1
ASSI { 983}
(( segid "PAH " and resid 329 and name HA ))
( segid "PAH " and resid 329 and name HD2%)
2.900 1.100 1.100 peak 983 spectrum 1 weight 0.10000E+01 volume 0.16589E-02 ppm1 0.540 ppm2 3.506 CV 1
ASSI { 987}
(( segid "PAH " and resid 329 and name HB1 ))
( segid "PAH " and resid 329 and name HD2%)
2.500 0.800 0.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.36485E-02 ppm1 0.536 ppm2 1.814 CV 1
ASSI { 988}
(( segid "PAH " and resid 329 and name HG ))
( segid "PAH " and resid 329 and name HD2%)
2.200 0.600 0.600 peak 988 spectrum 1 weight 0.10000E+01 volume 0.90640E-02 ppm1 0.539 ppm2 1.355 CV 1
ASSI { 989}
(( segid "PAH " and resid 329 and name HB2 ))
( segid "PAH " and resid 329 and name HD2%)
2.400 0.700 0.700 peak 989 spectrum 1 weight 0.10000E+01 volume 0.76960E-02 ppm1 0.536 ppm2 1.134 CV 1
ASSI { 996}
( segid "PAH " and resid 325 and name HE% )
( segid "PAH " and resid 314 and name HD1%)
3.400 1.500 1.500 peak 996 spectrum 1 weight 0.10000E+01 volume 0.10204E-02 ppm1 -0.005 ppm2 -1.277 CV 1
ASSI { 998}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 331 and name HG2%)
3.500 1.500 1.500 peak 998 spectrum 1 weight 0.10000E+01 volume 0.55013E-03 ppm1 0.759 ppm2 -0.152 CV 1
ASSI { 999}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 381 and name HG2 ))
3.800 1.800 1.800 peak 999 spectrum 1 weight 0.10000E+01 volume 0.74399E-03 ppm1 2.044 ppm2 0.782 CV 1
OR { 999}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 381 and name HG1 ))
OR { 999}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 381 and name HG2 ))
ASSI { 1003}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 349 and name HB1 ))
3.300 1.300 1.300 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.67269E-03 ppm1 2.952 ppm2 3.938 CV 1
ASSI { 1004}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 349 and name HB2 ))
3.900 1.900 1.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.89786E-03 ppm1 2.803 ppm2 3.947 CV 1
ASSI { 1006}
(( segid "PAH " and resid 332 and name HA ))
(( segid "PAH " and resid 332 and name HB2 ))
3.500 1.600 1.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.68124E-03 ppm1 1.239 ppm2 3.918 CV 1
ASSI { 1007}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 329 and name HB1 ))
3.900 1.900 1.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.10119E-02 ppm1 1.796 ppm2 3.624 CV 1
ASSI { 1008}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 329 and name HB2 ))
3.500 1.500 1.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.43326E-03 ppm1 1.145 ppm2 3.623 CV 1
ASSI { 1009}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 365 and name HB1 ))
4.100 2.100 1.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.21150E-03 ppm1 1.450 ppm2 0.078 CV 1
ASSI { 1017}
(( segid "PAH " and resid 325 and name HA ))
(( segid "PAH " and resid 328 and name HB2 ))
3.800 1.800 1.800 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.49882E-03 ppm1 3.024 ppm2 4.210 CV 1
ASSI { 1019}
(( segid "PAH " and resid 371 and name HA ))
(( segid "PAH " and resid 371 and name HB1 ))
2.700 0.900 0.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.27848E-02 ppm1 2.878 ppm2 4.401 CV 1
ASSI { 1020}
(( segid "PAH " and resid 371 and name HA ))
(( segid "PAH " and resid 371 and name HB2 ))
2.600 0.800 0.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 2.684 ppm2 4.395 CV 1
ASSI { 1023}
(( segid "PAH " and resid 338 and name HG2 ))
(( segid "PAH " and resid 338 and name HA ))
2.600 0.900 0.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.31355E-02 ppm1 4.169 ppm2 2.370 CV 1
ASSI { 1028}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HB1 ))
2.300 0.700 0.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.64419E-02 ppm1 2.073 ppm2 4.158 CV 1
ASSI { 1030}
(( segid "PAH " and resid 359 and name HB2 ))
(( segid "PAH " and resid 356 and name HA ))
3.200 1.300 1.300 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 4.120 ppm2 3.091 CV 1
ASSI { 1032}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 375 and name HG1 ))
5.000 3.100 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.76388E-04 ppm1 2.408 ppm2 -1.159 CV 1
ASSI { 1033}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 375 and name HG2 ))
4.100 2.100 1.900 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.34205E-03 ppm1 2.029 ppm2 -1.130 CV 1
ASSI { 1034}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 375 and name HG2 ))
3.100 1.200 1.200 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.11145E-02 ppm1 2.023 ppm2 4.064 CV 1
ASSI { 1036}
(( segid "PAH " and resid 356 and name HB1 ))
(( segid "PAH " and resid 356 and name HG2 ))
1.800 0.400 0.400 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.29359E-01 ppm1 2.513 ppm2 2.111 CV 1
OR { 1036}
(( segid "PAH " and resid 356 and name HB2 ))
(( segid "PAH " and resid 356 and name HG1 ))
OR { 1036}
(( segid "PAH " and resid 356 and name HB2 ))
(( segid "PAH " and resid 356 and name HG2 ))
OR { 1036}
(( segid "PAH " and resid 356 and name HB1 ))
(( segid "PAH " and resid 356 and name HG1 ))
ASSI { 1037}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 321 and name HG2 ))
4.200 2.200 1.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.50452E-03 ppm1 2.371 ppm2 1.159 CV 1
ASSI { 1038}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 321 and name HG1 ))
4.000 2.000 2.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.57008E-03 ppm1 2.475 ppm2 1.151 CV 1
ASSI { 1040}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 344 and name HG2 ))
2.900 1.000 1.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.26708E-02 ppm1 2.265 ppm2 4.347 CV 1
ASSI { 1042}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 365 and name HA ))
3.800 1.800 1.800 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.44181E-03 ppm1 4.021 ppm2 0.066 CV 1
ASSI { 1045}
(( segid "PAH " and resid 315 and name HG1 ))
(( segid "PAH " and resid 315 and name HA ))
3.500 1.500 1.500 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.66984E-03 ppm1 3.030 ppm2 0.898 CV 1
ASSI { 1048}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 372 and name HB1 ))
3.700 1.800 1.800 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.79239E-03 ppm1 1.671 ppm2 0.537 CV 1
ASSI { 1051}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 321 and name HB2 ))
3.000 1.100 1.100 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 2.173 ppm2 4.952 CV 1
ASSI { 1052}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 321 and name HB1 ))
3.200 1.300 1.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.90358E-03 ppm1 2.350 ppm2 4.958 CV 1
ASSI { 1053}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 321 and name HB1 ))
3.300 1.400 1.400 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.72684E-03 ppm1 2.364 ppm2 0.809 CV 1
ASSI { 1054}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 321 and name HB1 ))
4.000 2.000 2.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.59003E-03 ppm1 2.360 ppm2 1.156 CV 1
ASSI { 1055}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 321 and name HB1 ))
3.500 1.500 1.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.47032E-03 ppm1 2.370 ppm2 1.547 CV 1
OR { 1055}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 321 and name HB1 ))
ASSI { 1059}
(( segid "PAH " and resid 332 and name HG ))
( segid "PAH " and resid 332 and name HD1%)
2.200 0.600 0.600 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.84657E-02 ppm1 0.571 ppm2 1.252 CV 1
OR { 1059}
(( segid "PAH " and resid 332 and name HB2 ))
( segid "PAH " and resid 332 and name HD1%)
ASSI { 1065}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 332 and name HD1%)
3.200 1.300 1.300 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.96912E-03 ppm1 0.571 ppm2 -0.866 CV 1
ASSI { 1066}
(( segid "PAH " and resid 328 and name HZ ))
( segid "PAH " and resid 332 and name HD1%)
3.600 1.700 1.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.45036E-03 ppm1 0.574 ppm2 -0.743 CV 1
ASSI { 1067}
(( segid "PAH " and resid 371 and name HB1 ))
( segid "PAH " and resid 372 and name HD1%)
3.000 1.100 1.100 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.17815E-02 ppm1 0.549 ppm2 2.854 CV 1
ASSI { 1070}
(( segid "PAH " and resid 329 and name HG ))
(( segid "PAH " and resid 329 and name HB2 ))
2.700 0.900 0.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.23801E-02 ppm1 1.123 ppm2 1.337 CV 1
ASSI { 1071}
( segid "PAH " and resid 329 and name HD1%)
( segid "PAH " and resid 329 and name HD2%)
2.000 0.500 0.500 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.16475E-01 ppm1 0.535 ppm2 0.742 CV 1
ASSI { 1074}
(( segid "PAH " and resid 358 and name HA ))
( segid "PAH " and resid 358 and name HG1%)
2.400 0.700 0.700 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.55298E-02 ppm1 0.821 ppm2 3.404 CV 1
ASSI { 1075}
(( segid "PAH " and resid 363 and name HA ))
( segid "PAH " and resid 373 and name HD2%)
2.100 0.600 0.600 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.10233E-01 ppm1 0.799 ppm2 3.775 CV 1
ASSI { 1082}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 358 and name HG1%)
2.600 2.600 3.400 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.29644E-02 ppm1 0.798 ppm2 -0.156 CV 1
ASSI { 1085}
(( segid "PAH " and resid 373 and name HG ))
( segid "PAH " and resid 373 and name HD2%)
2.300 0.600 0.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.67554E-02 ppm1 0.797 ppm2 1.866 CV 1
ASSI { 1086}
(( segid "PAH " and resid 373 and name HB2 ))
( segid "PAH " and resid 373 and name HD2%)
2.400 0.700 0.700 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.65844E-02 ppm1 0.802 ppm2 1.682 CV 1
ASSI { 1087}
( segid "PAH " and resid 363 and name HB% )
( segid "PAH " and resid 373 and name HD2%)
2.300 0.700 0.700 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.80099E-02 ppm1 0.798 ppm2 1.175 CV 1
ASSI { 1089}
( segid "PAH " and resid 325 and name HE% )
( segid "PAH " and resid 329 and name HD1%)
3.200 1.300 1.300 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.94916E-03 ppm1 0.745 ppm2 -1.295 CV 1
ASSI { 1090}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 329 and name HD1%)
3.500 1.500 1.500 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.69262E-03 ppm1 0.741 ppm2 -1.117 CV 1
ASSI { 1091}
( segid "PAH " and resid 325 and name HD% )
( segid "PAH " and resid 329 and name HD1%)
3.600 1.600 1.600 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.49027E-03 ppm1 0.745 ppm2 -0.964 CV 1
ASSI { 1095}
(( segid "PAH " and resid 328 and name HB1 ))
( segid "PAH " and resid 329 and name HD1%)
3.400 1.400 1.400 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.90358E-03 ppm1 0.741 ppm2 3.399 CV 1
ASSI { 1097}
(( segid "PAH " and resid 329 and name HB2 ))
( segid "PAH " and resid 329 and name HD1%)
2.400 0.700 0.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.53302E-02 ppm1 0.743 ppm2 1.146 CV 1
ASSI { 1098}
(( segid "PAH " and resid 329 and name HG ))
( segid "PAH " and resid 329 and name HD1%)
2.300 0.600 0.600 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.68409E-02 ppm1 0.745 ppm2 1.363 CV 1
ASSI { 1101}
(( segid "PAH " and resid 329 and name HB1 ))
( segid "PAH " and resid 329 and name HD1%)
3.100 1.200 1.200 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.13368E-02 ppm1 0.738 ppm2 1.811 CV 1
ASSI { 1102}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 362 and name HG1%)
2.800 1.000 1.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.19554E-02 ppm1 0.423 ppm2 -1.129 CV 1
ASSI { 1104}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 362 and name HG1%)
3.100 1.200 1.200 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.10091E-02 ppm1 0.425 ppm2 -0.953 CV 1
ASSI { 1107}
(( segid "PAH " and resid 362 and name HA ))
( segid "PAH " and resid 362 and name HG1%)
2.500 0.800 0.800 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.35915E-02 ppm1 0.426 ppm2 2.944 CV 1
ASSI { 1110}
( segid "PAH " and resid 373 and name HD1%)
( segid "PAH " and resid 362 and name HG1%)
2.900 1.100 1.100 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.14765E-02 ppm1 0.427 ppm2 0.948 CV 1
ASSI { 1111}
(( segid "PAH " and resid 362 and name HB ))
( segid "PAH " and resid 362 and name HG1%)
2.300 0.700 0.700 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.55298E-02 ppm1 0.424 ppm2 1.438 CV 1
ASSI { 1113}
(( segid "PAH " and resid 361 and name HB1 ))
( segid "PAH " and resid 362 and name HG1%)
3.900 1.900 1.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.58718E-03 ppm1 0.423 ppm2 2.073 CV 1
ASSI { 1117}
( segid "PAH " and resid 324 and name HG2%)
( segid "PAH " and resid 365 and name HD1%)
2.700 0.900 0.900 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.24485E-02 ppm1 0.813 ppm2 0.081 CV 1
ASSI { 1118}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 365 and name HD1%)
3.100 3.100 2.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.14081E-02 ppm1 0.814 ppm2 0.419 CV 1
ASSI { 1119}
(( segid "PAH " and resid 380 and name HG ))
( segid "PAH " and resid 380 and name HD2%)
1.900 0.400 0.400 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.24542E-01 ppm1 0.803 ppm2 1.524 CV 1
OR { 1119}
(( segid "PAH " and resid 380 and name HB1 ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1121}
(( segid "PAH " and resid 355 and name HB1 ))
( segid "PAH " and resid 380 and name HD2%)
2.300 0.700 0.700 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.56723E-02 ppm1 0.793 ppm2 2.235 CV 1
ASSI { 1123}
(( segid "PAH " and resid 362 and name HA ))
( segid "PAH " and resid 365 and name HD1%)
2.900 1.000 1.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.21663E-02 ppm1 0.810 ppm2 2.940 CV 1
ASSI { 1124}
(( segid "PAH " and resid 380 and name HA ))
( segid "PAH " and resid 380 and name HD2%)
2.300 0.600 0.600 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.68694E-02 ppm1 0.790 ppm2 4.405 CV 1
ASSI { 1125}
(( segid "PAH " and resid 365 and name HA ))
( segid "PAH " and resid 365 and name HD1%)
2.500 0.800 0.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.49882E-02 ppm1 0.808 ppm2 4.029 CV 1
ASSI { 1126}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 365 and name HD1%)
2.800 1.000 1.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.22176E-02 ppm1 0.811 ppm2 3.860 CV 1
ASSI { 1128}
(( segid "PAH " and resid 365 and name HB2 ))
( segid "PAH " and resid 365 and name HD1%)
2.200 0.600 0.600 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.69262E-02 ppm1 0.809 ppm2 1.324 CV 1
ASSI { 1130}
(( segid "PAH " and resid 381 and name HD2 ))
( segid "PAH " and resid 380 and name HD2%)
3.100 1.200 1.200 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.15905E-02 ppm1 0.790 ppm2 3.533 CV 1
ASSI { 1131}
(( segid "PAH " and resid 359 and name HB1 ))
( segid "PAH " and resid 380 and name HD2%)
3.600 1.600 1.600 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.12513E-02 ppm1 0.793 ppm2 3.260 CV 1
ASSI { 1132}
(( segid "PAH " and resid 359 and name HB2 ))
( segid "PAH " and resid 380 and name HD2%)
2.700 0.900 0.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.22005E-02 ppm1 0.794 ppm2 3.068 CV 1
ASSI { 1134}
( segid "PAH " and resid 366 and name HD% )
( segid "PAH " and resid 365 and name HD2%)
3.900 1.900 1.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.39336E-03 ppm1 0.726 ppm2 -1.346 CV 1
ASSI { 1135}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 365 and name HD2%)
3.200 1.300 1.300 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 0.731 ppm2 -1.127 CV 1
ASSI { 1136}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 365 and name HD2%)
3.900 1.900 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.37911E-03 ppm1 0.735 ppm2 -0.148 CV 1
ASSI { 1138}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 365 and name HD2%)
3.300 1.400 1.400 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.93208E-03 ppm1 0.731 ppm2 -1.173 CV 1
ASSI { 1139}
(( segid "PAH " and resid 362 and name HA ))
( segid "PAH " and resid 365 and name HD2%)
3.100 1.200 1.200 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 0.731 ppm2 2.937 CV 1
ASSI { 1140}
(( segid "PAH " and resid 328 and name HB1 ))
( segid "PAH " and resid 365 and name HD2%)
3.900 1.900 1.900 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.78103E-03 ppm1 0.730 ppm2 3.411 CV 1
ASSI { 1141}
(( segid "PAH " and resid 324 and name HA ))
( segid "PAH " and resid 365 and name HD2%)
3.300 1.400 1.400 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.89504E-03 ppm1 0.735 ppm2 3.695 CV 1
ASSI { 1142}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 365 and name HD2%)
2.900 1.000 1.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.20494E-02 ppm1 0.734 ppm2 3.872 CV 1
ASSI { 1148}
(( segid "PAH " and resid 380 and name HA ))
( segid "PAH " and resid 380 and name HD1%)
3.200 1.300 1.300 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.13539E-02 ppm1 0.791 ppm2 4.404 CV 1
ASSI { 1150}
(( segid "PAH " and resid 377 and name HA2 ))
( segid "PAH " and resid 380 and name HD1%)
3.000 1.100 1.100 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.12741E-02 ppm1 0.793 ppm2 3.810 CV 1
ASSI { 1152}
(( segid "PAH " and resid 381 and name HD2 ))
( segid "PAH " and resid 380 and name HD1%)
3.800 1.800 1.800 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.42471E-03 ppm1 0.791 ppm2 3.537 CV 1
ASSI { 1153}
(( segid "PAH " and resid 359 and name HB1 ))
( segid "PAH " and resid 380 and name HD1%)
4.100 2.100 1.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.58718E-03 ppm1 0.792 ppm2 3.267 CV 1
ASSI { 1154}
(( segid "PAH " and resid 359 and name HB2 ))
( segid "PAH " and resid 380 and name HD1%)
3.300 1.300 1.300 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.71548E-03 ppm1 0.789 ppm2 3.081 CV 1
ASSI { 1156}
(( segid "PAH " and resid 355 and name HB1 ))
( segid "PAH " and resid 380 and name HD1%)
3.200 1.300 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.89504E-03 ppm1 0.792 ppm2 2.281 CV 1
ASSI { 1158}
(( segid "PAH " and resid 355 and name HB2 ))
( segid "PAH " and resid 380 and name HD1%)
3.800 1.800 1.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.45606E-03 ppm1 0.792 ppm2 2.011 CV 1
ASSI { 1160}
(( segid "PAH " and resid 380 and name HG ))
( segid "PAH " and resid 380 and name HD1%)
1.900 0.400 0.400 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.22404E-01 ppm1 0.791 ppm2 1.528 CV 1
OR { 1160}
(( segid "PAH " and resid 380 and name HB1 ))
( segid "PAH " and resid 380 and name HD1%)
ASSI { 1161}
(( segid "PAH " and resid 380 and name HB2 ))
( segid "PAH " and resid 380 and name HD1%)
2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.62424E-02 ppm1 0.791 ppm2 1.404 CV 1
ASSI { 1163}
( segid "PAH " and resid 376 and name HD% )
( segid "PAH " and resid 380 and name HD1%)
3.900 1.900 1.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.33065E-03 ppm1 0.791 ppm2 -0.598 CV 1
ASSI { 1165}
( segid "PAH " and resid 359 and name HE% )
( segid "PAH " and resid 380 and name HD1%)
3.500 1.500 1.500 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.68124E-03 ppm1 0.796 ppm2 -1.143 CV 1
ASSI { 1168}
(( segid "PAH " and resid 314 and name HG12))
(( segid "PAH " and resid 313 and name HG1 ))
3.200 1.300 1.300 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.11116E-02 ppm1 1.553 ppm2 0.534 CV 1
ASSI { 1171}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 332 and name HD1%)
3.500 1.500 1.500 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.55013E-03 ppm1 0.575 ppm2 -0.942 CV 1
ASSI { 1177}
(( segid "PAH " and resid 358 and name HA ))
( segid "PAH " and resid 358 and name HG2%)
2.600 0.900 0.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.29929E-02 ppm1 0.728 ppm2 3.404 CV 1
ASSI { 1184}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 358 and name HG2%)
2.400 0.700 0.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.72402E-02 ppm1 0.727 ppm2 0.571 CV 1
OR { 1184}
( segid "PAH " and resid 332 and name HD2%)
( segid "PAH " and resid 358 and name HG2%)
ASSI { 1185}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 358 and name HG2%)
3.100 1.200 1.200 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.27592E-02 ppm1 0.729 ppm2 0.424 CV 1
ASSI { 1188}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 358 and name HG2%)
4.200 2.200 1.800 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.37625E-03 ppm1 0.733 ppm2 -0.154 CV 1
ASSI { 1189}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 358 and name HG2%)
3.600 1.600 1.600 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.11858E-02 ppm1 0.726 ppm2 -0.862 CV 1
ASSI { 1192}
( segid "PAH " and resid 335 and name HE% )
( segid "PAH " and resid 358 and name HG2%)
3.200 3.200 2.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.10632E-02 ppm1 0.725 ppm2 -1.318 CV 1
ASSI { 1193}
(( segid "PAH " and resid 376 and name HZ ))
( segid "PAH " and resid 358 and name HG2%)
3.000 1.100 1.100 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.26851E-02 ppm1 0.729 ppm2 -1.198 CV 1
ASSI { 1194}
( segid "PAH " and resid 335 and name HD% )
( segid "PAH " and resid 358 and name HG2%)
3.100 1.200 1.200 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.10148E-02 ppm1 0.726 ppm2 -1.115 CV 1
ASSI { 1196}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 362 and name HG2%)
2.800 1.000 1.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.22490E-02 ppm1 -0.148 ppm2 -1.159 CV 1
ASSI { 1197}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 362 and name HG2%)
3.200 1.300 1.300 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.81524E-03 ppm1 -0.146 ppm2 -0.952 CV 1
ASSI { 1199}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 362 and name HG2%)
2.200 0.600 0.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.74963E-02 ppm1 -0.152 ppm2 0.421 CV 1
ASSI { 1203}
(( segid "PAH " and resid 362 and name HB ))
( segid "PAH " and resid 362 and name HG2%)
2.400 0.700 0.700 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.45892E-02 ppm1 -0.153 ppm2 1.438 CV 1
ASSI { 1204}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 362 and name HG2%)
3.200 1.300 1.300 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.11088E-02 ppm1 -0.155 ppm2 0.555 CV 1
OR { 1204}
( segid "PAH " and resid 332 and name HD2%)
( segid "PAH " and resid 362 and name HG2%)
ASSI { 1205}
(( segid "PAH " and resid 362 and name HA ))
( segid "PAH " and resid 362 and name HG2%)
2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.31925E-02 ppm1 -0.153 ppm2 2.941 CV 1
ASSI { 1208}
(( segid "PAH " and resid 363 and name HA ))
( segid "PAH " and resid 362 and name HG2%)
3.600 1.600 1.600 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.68694E-03 ppm1 -0.151 ppm2 3.800 CV 1
ASSI { 1211}
(( segid "PAH " and resid 334 and name HA ))
( segid "PAH " and resid 334 and name HG2%)
2.300 0.600 0.600 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.81524E-02 ppm1 1.271 ppm2 3.833 CV 1
ASSI { 1213}
(( segid "PAH " and resid 334 and name HB ))
( segid "PAH " and resid 334 and name HG2%)
2.100 0.600 0.600 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.10091E-01 ppm1 1.271 ppm2 4.341 CV 1
ASSI { 1214}
(( segid "PAH " and resid 354 and name HB ))
( segid "PAH " and resid 354 and name HG2%)
2.100 0.500 0.500 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.12029E-01 ppm1 1.340 ppm2 4.745 CV 1
ASSI { 1215}
(( segid "PAH " and resid 354 and name HA ))
( segid "PAH " and resid 354 and name HG2%)
2.200 0.600 0.600 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.11116E-01 ppm1 1.340 ppm2 4.655 CV 1
ASSI { 1216}
(( segid "PAH " and resid 372 and name HA ))
( segid "PAH " and resid 372 and name HD1%)
2.700 0.900 0.900 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.45321E-02 ppm1 0.540 ppm2 4.383 CV 1
ASSI { 1217}
(( segid "PAH " and resid 332 and name HA ))
( segid "PAH " and resid 332 and name HD1%)
2.400 0.700 0.700 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.64419E-02 ppm1 0.568 ppm2 3.901 CV 1
ASSI { 1218}
(( segid "PAH " and resid 351 and name HD1 ))
( segid "PAH " and resid 350 and name HG2%)
2.600 0.800 0.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.49882E-02 ppm1 1.122 ppm2 3.699 CV 1
OR { 1218}
(( segid "PAH " and resid 351 and name HD2 ))
( segid "PAH " and resid 350 and name HG2%)
ASSI { 1220}
(( segid "PAH " and resid 351 and name HA ))
( segid "PAH " and resid 350 and name HG2%)
3.700 1.700 1.700 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.43611E-03 ppm1 1.121 ppm2 4.351 CV 1
ASSI { 1222}
(( segid "PAH " and resid 351 and name HG1 ))
( segid "PAH " and resid 350 and name HG2%)
3.900 1.900 1.900 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.66699E-03 ppm1 1.117 ppm2 2.072 CV 1
ASSI { 1223}
(( segid "PAH " and resid 351 and name HB1 ))
( segid "PAH " and resid 350 and name HG2%)
4.100 2.100 1.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.36200E-03 ppm1 1.123 ppm2 2.307 CV 1
ASSI { 1234}
(( segid "PAH " and resid 383 and name HA ))
( segid "PAH " and resid 383 and name HB% )
2.400 0.700 0.700 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.53302E-02 ppm1 1.283 ppm2 4.053 CV 1
ASSI { 1235}
( segid "PAH " and resid 353 and name HD1%)
( segid "PAH " and resid 352 and name HB% )
3.100 1.200 1.200 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.73827E-03 ppm1 1.373 ppm2 0.902 CV 1
OR { 1235}
( segid "PAH " and resid 353 and name HD2%)
( segid "PAH " and resid 352 and name HB% )
ASSI { 1237}
(( segid "PAH " and resid 352 and name HA ))
( segid "PAH " and resid 352 and name HB% )
2.100 0.500 0.500 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.14109E-01 ppm1 1.370 ppm2 4.235 CV 1
ASSI { 1238}
( segid "PAH " and resid 359 and name HE% )
( segid "PAH " and resid 363 and name HB% )
3.500 1.500 1.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.68694E-03 ppm1 1.182 ppm2 -1.145 CV 1
ASSI { 1240}
( segid "PAH " and resid 362 and name HG2%)
( segid "PAH " and resid 363 and name HB% )
4.500 2.500 1.500 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.28305E-03 ppm1 1.189 ppm2 -0.150 CV 1
ASSI { 1242}
( segid "PAH " and resid 373 and name HD1%)
( segid "PAH " and resid 363 and name HB% )
2.700 0.900 0.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.47887E-02 ppm1 1.182 ppm2 0.964 CV 1
ASSI { 1243}
(( segid "PAH " and resid 363 and name HA ))
( segid "PAH " and resid 363 and name HB% )
2.200 0.600 0.600 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.80953E-02 ppm1 1.181 ppm2 3.790 CV 1
ASSI { 1250}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 322 and name HG1 ))
4.900 3.000 1.100 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.34205E-03 ppm1 2.114 ppm2 4.952 CV 1
ASSI { 1251}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 343 and name HD1 ))
3.400 1.400 1.400 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.78103E-03 ppm1 1.673 ppm2 4.056 CV 1
OR { 1251}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 343 and name HD2 ))
ASSI { 1254}
( segid "PAH " and resid 334 and name HG2%)
( segid "PAH " and resid 353 and name HD2%)
2.100 0.600 0.600 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.11202E-01 ppm1 0.911 ppm2 1.264 CV 1
OR { 1254}
( segid "PAH " and resid 334 and name HG2%)
( segid "PAH " and resid 353 and name HD1%)
ASSI { 1255}
(( segid "PAH " and resid 353 and name HB2 ))
( segid "PAH " and resid 353 and name HD2%)
2.000 0.500 0.500 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.13881E-01 ppm1 0.911 ppm2 1.544 CV 1
OR { 1255}
(( segid "PAH " and resid 353 and name HB2 ))
( segid "PAH " and resid 353 and name HD1%)
ASSI { 1258}
( segid "PAH " and resid 373 and name HD2%)
( segid "PAH " and resid 373 and name HD1%)
2.000 0.500 0.500 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.18670E-01 ppm1 0.965 ppm2 0.796 CV 1
ASSI { 1265}
(( segid "PAH " and resid 372 and name HA ))
( segid "PAH " and resid 372 and name HD2%)
3.500 1.500 1.500 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.10091E-02 ppm1 0.220 ppm2 4.381 CV 1
ASSI { 1267}
( segid "PAH " and resid 372 and name HD1%)
( segid "PAH " and resid 372 and name HD2%)
2.300 0.600 0.600 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.78956E-02 ppm1 0.219 ppm2 0.539 CV 1
ASSI { 1269}
(( segid "PAH " and resid 372 and name HB2 ))
( segid "PAH " and resid 372 and name HD2%)
2.600 0.800 0.800 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.50452E-02 ppm1 0.220 ppm2 1.034 CV 1
ASSI { 1270}
(( segid "PAH " and resid 369 and name HB1 ))
( segid "PAH " and resid 372 and name HD2%)
2.800 1.000 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.31640E-02 ppm1 0.219 ppm2 1.828 CV 1
OR { 1270}
(( segid "PAH " and resid 369 and name HB2 ))
( segid "PAH " and resid 372 and name HD2%)
ASSI { 1271}
(( segid "PAH " and resid 372 and name HG ))
( segid "PAH " and resid 372 and name HD2%)
2.100 0.600 0.600 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.98627E-02 ppm1 0.218 ppm2 1.592 CV 1
ASSI { 1272}
(( segid "PAH " and resid 369 and name HG2 ))
( segid "PAH " and resid 372 and name HD2%)
3.500 1.500 1.500 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.86365E-03 ppm1 0.208 ppm2 2.278 CV 1
ASSI { 1276}
( segid "PAH " and resid 318 and name HE% )
( segid "PAH " and resid 372 and name HD2%)
3.000 1.100 1.100 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.13996E-02 ppm1 0.217 ppm2 -1.100 CV 1
ASSI { 1277}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HE2 ))
2.700 0.900 0.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.22347E-02 ppm1 2.783 ppm2 1.571 CV 1
OR { 1277}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HE1 ))
ASSI { 1278}
(( segid "PAH " and resid 369 and name HA ))
( segid "PAH " and resid 372 and name HD2%)
4.000 2.000 2.000 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.51307E-03 ppm1 0.218 ppm2 4.788 CV 1
ASSI { 1279}
(( segid "PAH " and resid 366 and name HB1 ))
( segid "PAH " and resid 372 and name HD2%)
3.600 1.700 1.700 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.49027E-03 ppm1 0.216 ppm2 3.793 CV 1
ASSI { 1280}
(( segid "PAH " and resid 296 and name HG ))
( segid "PAH " and resid 296 and name HD2%)
2.200 0.600 0.600 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.88361E-02 ppm1 0.877 ppm2 1.633 CV 1
OR { 1280}
(( segid "PAH " and resid 296 and name HB1 ))
( segid "PAH " and resid 296 and name HD2%)
ASSI { 1283}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HE2 ))
2.700 0.900 0.900 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.35915E-02 ppm1 2.958 ppm2 1.367 CV 1
OR { 1283}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HE1 ))
ASSI { 1284}
(( segid "PAH " and resid 379 and name HB2 ))
(( segid "PAH " and resid 379 and name HB1 ))
2.500 0.800 0.800 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.22547E-02 ppm1 3.193 ppm2 2.414 CV 1
ASSI { 1287}
(( segid "PAH " and resid 379 and name HA ))
(( segid "PAH " and resid 379 and name HB2 ))
4.000 2.000 2.000 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.33920E-03 ppm1 2.427 ppm2 4.217 CV 1
ASSI { 1289}
(( segid "PAH " and resid 365 and name HB2 ))
( segid "PAH " and resid 365 and name HD2%)
2.600 0.800 0.800 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.46462E-02 ppm1 0.738 ppm2 1.321 CV 1
ASSI { 1291}
(( segid "PAH " and resid 337 and name HE1 ))
( segid "PAH " and resid 334 and name HG2%)
3.400 1.400 1.400 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.52732E-03 ppm1 1.274 ppm2 2.892 CV 1
OR { 1291}
(( segid "PAH " and resid 337 and name HE2 ))
( segid "PAH " and resid 334 and name HG2%)
ASSI { 1294}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 343 and name HE1 ))
4.100 2.100 1.900 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.41616E-03 ppm1 2.985 ppm2 4.136 CV 1
OR { 1294}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 343 and name HE2 ))
ASSI { 1295}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 326 and name HE1 ))
3.900 1.900 1.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.56723E-03 ppm1 2.960 ppm2 3.618 CV 1
OR { 1295}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 326 and name HE2 ))
ASSI { 1296}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 337 and name HE1 ))
3.000 1.100 1.100 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.19097E-02 ppm1 2.894 ppm2 1.340 CV 1
OR { 1296}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 337 and name HE2 ))
ASSI { 1299}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HE1 ))
3.800 1.800 1.800 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.76388E-03 ppm1 2.902 ppm2 3.875 CV 1
OR { 1299}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HE2 ))
ASSI { 1303}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 359 and name HA ))
3.000 1.100 1.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.12484E-02 ppm1 3.881 ppm2 0.782 CV 1
ASSI { 1308}
( segid "PAH " and resid 302 and name HG1%)
(( segid "PAH " and resid 302 and name HA ))
2.900 1.100 1.100 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.19639E-02 ppm1 3.926 ppm2 0.915 CV 1
ASSI { 1309}
(( segid "PAH " and resid 317 and name HD2 ))
(( segid "PAH " and resid 317 and name HA ))
2.700 0.900 0.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.28789E-02 ppm1 3.821 ppm2 3.007 CV 1
OR { 1309}
(( segid "PAH " and resid 317 and name HD1 ))
(( segid "PAH " and resid 317 and name HA ))
ASSI { 1311}
(( segid "PAH " and resid 322 and name HD1 ))
(( segid "PAH " and resid 322 and name HG2 ))
2.400 0.700 0.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.48172E-02 ppm1 2.095 ppm2 3.764 CV 1
OR { 1311}
(( segid "PAH " and resid 322 and name HD1 ))
(( segid "PAH " and resid 322 and name HG1 ))
ASSI { 1312}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 381 and name HG2 ))
3.300 1.400 1.400 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.13311E-02 ppm1 2.044 ppm2 1.531 CV 1
OR { 1312}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 381 and name HG1 ))
OR { 1312}
(( segid "PAH " and resid 380 and name HG ))
(( segid "PAH " and resid 381 and name HG2 ))
ASSI { 1315}
(( segid "PAH " and resid 335 and name HA ))
( segid "PAH " and resid 353 and name HD2%)
2.800 1.000 1.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.23031E-02 ppm1 0.892 ppm2 4.065 CV 1
ASSI { 1316}
(( segid "PAH " and resid 335 and name HB1 ))
( segid "PAH " and resid 353 and name HD2%)
3.800 1.800 1.800 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.86365E-03 ppm1 0.896 ppm2 3.208 CV 1
ASSI { 1317}
(( segid "PAH " and resid 335 and name HB2 ))
( segid "PAH " and resid 353 and name HD2%)
2.900 1.000 1.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.16817E-02 ppm1 0.899 ppm2 2.967 CV 1
ASSI { 1318}
(( segid "PAH " and resid 357 and name HG1 ))
( segid "PAH " and resid 353 and name HD2%)
2.400 0.700 0.700 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.59858E-02 ppm1 0.890 ppm2 2.336 CV 1
OR { 1318}
(( segid "PAH " and resid 357 and name HG2 ))
( segid "PAH " and resid 353 and name HD2%)
OR { 1318}
(( segid "PAH " and resid 357 and name HB1 ))
( segid "PAH " and resid 353 and name HD2%)
ASSI { 1319}
(( segid "PAH " and resid 334 and name HB ))
( segid "PAH " and resid 353 and name HD2%)
2.700 0.900 0.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.29074E-02 ppm1 0.894 ppm2 4.348 CV 1
ASSI { 1321}
(( segid "PAH " and resid 358 and name HA ))
( segid "PAH " and resid 353 and name HD2%)
3.900 1.900 1.900 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.33065E-03 ppm1 0.895 ppm2 3.392 CV 1
ASSI { 1324}
(( segid "PAH " and resid 353 and name HG ))
( segid "PAH " and resid 353 and name HD2%)
2.100 0.500 0.500 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.13397E-01 ppm1 0.894 ppm2 1.655 CV 1
OR { 1324}
(( segid "PAH " and resid 353 and name HB1 ))
( segid "PAH " and resid 353 and name HD2%)
ASSI { 1326}
( segid "PAH " and resid 334 and name HG2%)
( segid "PAH " and resid 353 and name HD2%)
2.200 0.600 0.600 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.88079E-02 ppm1 0.892 ppm2 1.268 CV 1
ASSI { 1327}
( segid "PAH " and resid 372 and name HD2%)
( segid "PAH " and resid 373 and name HD1%)
3.100 1.200 1.200 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.75824E-03 ppm1 0.964 ppm2 0.217 CV 1
ASSI { 1330}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HA ))
3.200 1.300 1.300 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.12257E-02 ppm1 3.022 ppm2 1.568 CV 1
ASSI { 1333}
(( segid "PAH " and resid 372 and name HG ))
( segid "PAH " and resid 372 and name HD1%)
2.200 0.600 0.600 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.72402E-02 ppm1 0.546 ppm2 1.568 CV 1
ASSI { 1337}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 358 and name HG1%)
2.800 0.900 0.900 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.31355E-02 ppm1 0.817 ppm2 0.571 CV 1
OR { 1337}
( segid "PAH " and resid 332 and name HD2%)
( segid "PAH " and resid 358 and name HG1%)
ASSI { 1338}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 362 and name HG1%)
3.000 1.100 1.100 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.12114E-02 ppm1 0.424 ppm2 -1.207 CV 1
ASSI { 1343}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 362 and name HG2%)
3.400 1.500 1.500 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.77814E-03 ppm1 -0.149 ppm2 -0.885 CV 1
ASSI { 1347}
( segid "PAH " and resid 311 and name HG1%)
(( segid "PAH " and resid 315 and name HE1 ))
3.700 1.700 1.700 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.46747E-03 ppm1 2.781 ppm2 1.019 CV 1
OR { 1347}
( segid "PAH " and resid 311 and name HG1%)
(( segid "PAH " and resid 315 and name HE2 ))
ASSI { 1348}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 361 and name HB1 ))
3.000 1.100 1.100 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.12684E-02 ppm1 2.078 ppm2 0.693 CV 1
ASSI { 1355}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 361 and name HB1 ))
2.600 0.900 0.900 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.26708E-02 ppm1 2.096 ppm2 3.927 CV 1
ASSI { 1358}
(( segid "PAH " and resid 365 and name HA ))
(( segid "PAH " and resid 365 and name HG ))
3.400 1.400 1.400 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.72973E-03 ppm1 1.589 ppm2 4.037 CV 1
ASSI { 1359}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HG2 ))
2.700 0.900 0.900 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.26879E-02 ppm1 1.570 ppm2 4.033 CV 1
ASSI { 1362}
(( segid "PAH " and resid 318 and name HZ ))
( segid "PAH " and resid 372 and name HD2%)
3.600 1.600 1.600 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.55868E-03 ppm1 0.217 ppm2 -1.278 CV 1
ASSI { 1364}
( segid "PAH " and resid 376 and name HD% )
( segid "PAH " and resid 362 and name HG1%)
3.900 1.900 1.900 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.27991E-03 ppm1 0.429 ppm2 -0.595 CV 1
ASSI { 1365}
( segid "PAH " and resid 362 and name HG2%)
(( segid "PAH " and resid 373 and name HA ))
4.700 2.700 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.15278E-03 ppm1 4.437 ppm2 -0.157 CV 1
ASSI { 1367}
(( segid "PAH " and resid 338 and name HG2 ))
( segid "PAH " and resid 334 and name HG2%)
2.900 1.000 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.15991E-02 ppm1 1.273 ppm2 2.387 CV 1
ASSI { 1368}
(( segid "PAH " and resid 338 and name HG1 ))
( segid "PAH " and resid 334 and name HG2%)
3.100 1.200 1.200 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.16162E-02 ppm1 1.271 ppm2 2.458 CV 1
ASSI { 1375}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 350 and name HB ))
3.300 1.300 1.300 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.19297E-02 ppm1 3.882 ppm2 3.717 CV 1
OR { 1375}
(( segid "PAH " and resid 351 and name HD2 ))
(( segid "PAH " and resid 350 and name HB ))
ASSI { 1377}
(( segid "PAH " and resid 302 and name HA ))
( segid "PAH " and resid 302 and name HG2%)
2.900 1.000 1.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.22404E-02 ppm1 0.853 ppm2 3.911 CV 1
ASSI { 1378}
(( segid "PAH " and resid 303 and name HG1 ))
( segid "PAH " and resid 302 and name HG1%)
2.900 1.000 1.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 0.919 ppm2 2.255 CV 1
OR { 1378}
(( segid "PAH " and resid 303 and name HG2 ))
( segid "PAH " and resid 302 and name HG1%)
ASSI { 1379}
(( segid "PAH " and resid 302 and name HB ))
( segid "PAH " and resid 302 and name HG1%)
2.300 0.700 0.700 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.67554E-02 ppm1 0.921 ppm2 1.953 CV 1
ASSI { 1380}
(( segid "PAH " and resid 313 and name HD1 ))
(( segid "PAH " and resid 313 and name HA ))
3.400 1.400 1.400 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.10774E-02 ppm1 3.981 ppm2 1.683 CV 1
OR { 1380}
(( segid "PAH " and resid 313 and name HD2 ))
(( segid "PAH " and resid 313 and name HA ))
ASSI { 1382}
(( segid "PAH " and resid 351 and name HB1 ))
( segid "PAH " and resid 342 and name HB% )
3.200 1.300 1.300 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.12171E-02 ppm1 1.438 ppm2 2.274 CV 1
ASSI { 1386}
(( segid "PAH " and resid 338 and name HB1 ))
( segid "PAH " and resid 352 and name HB% )
3.300 1.400 1.400 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.13596E-02 ppm1 1.368 ppm2 2.166 CV 1
OR { 1386}
(( segid "PAH " and resid 338 and name HB2 ))
( segid "PAH " and resid 352 and name HB% )
ASSI { 1387}
(( segid "PAH " and resid 338 and name HG2 ))
( segid "PAH " and resid 352 and name HB% )
3.200 1.300 1.300 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.17074E-02 ppm1 1.367 ppm2 2.397 CV 1
ASSI { 1388}
(( segid "PAH " and resid 353 and name HA ))
( segid "PAH " and resid 352 and name HB% )
3.700 1.700 1.700 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.49312E-03 ppm1 1.370 ppm2 4.654 CV 1
ASSI { 1389}
(( segid "PAH " and resid 381 and name HG1 ))
(( segid "PAH " and resid 380 and name HA ))
4.600 2.700 1.400 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.36770E-03 ppm1 4.411 ppm2 2.022 CV 1
OR { 1389}
(( segid "PAH " and resid 381 and name HG2 ))
(( segid "PAH " and resid 380 and name HA ))
ASSI { 1390}
( segid "PAH " and resid 359 and name HD% )
(( segid "PAH " and resid 359 and name HB1 ))
3.600 1.700 1.700 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.44181E-03 ppm1 3.271 ppm2 -0.884 CV 1
ASSI { 1393}
(( segid "PAH " and resid 348 and name HA ))
( segid "PAH " and resid 345 and name HB% )
4.800 2.900 1.200 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.13910E-03 ppm1 1.420 ppm2 4.742 CV 1
ASSI { 1396}
( segid "PAH " and resid 350 and name HG2%)
(( segid "PAH " and resid 351 and name HG2 ))
5.200 3.400 0.800 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.10091E-03 ppm1 1.962 ppm2 1.108 CV 1
ASSI { 1}
(( segid "SID " and resid 370 and name HA ))
( segid "SID " and resid 370 and name HD2%)
2.900 1.100 1.100 peak 1 spectrum 1 weight 0.10000E+01 volume 0.24172E-02 ppm1 3.981 ppm2 0.578 CV 1
ASSI { 2}
(( segid "SID " and resid 370 and name HA ))
( segid "SID " and resid 370 and name HD1%)
3.200 1.300 1.300 peak 2 spectrum 1 weight 0.10000E+01 volume 0.17831E-02 ppm1 3.982 ppm2 0.686 CV 1
ASSI { 3}
(( segid "SID " and resid 366 and name HA ))
( segid "SID " and resid 369 and name HG2%)
3.000 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.17209E-02 ppm1 3.984 ppm2 1.150 CV 1
ASSI { 5}
(( segid "SID " and resid 369 and name HA ))
( segid "SID " and resid 369 and name HG1%)
2.700 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.36285E-02 ppm1 3.615 ppm2 1.233 CV 1
ASSI { 6}
(( segid "SID " and resid 369 and name HA ))
( segid "SID " and resid 369 and name HG2%)
2.600 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.41040E-02 ppm1 3.610 ppm2 1.149 CV 1
ASSI { 7}
(( segid "SID " and resid 367 and name HA ))
( segid "SID " and resid 367 and name HG1%)
3.400 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.89442E-03 ppm1 3.490 ppm2 1.191 CV 1
OR { 7}
(( segid "SID " and resid 367 and name HA ))
( segid "SID " and resid 367 and name HG2%)
ASSI { 9}
(( segid "SID " and resid 374 and name HA ))
( segid "SID " and resid 374 and name HB% )
2.200 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10812E-01 ppm1 4.117 ppm2 1.571 CV 1
ASSI { 11}
(( segid "SID " and resid 369 and name HA ))
(( segid "SID " and resid 369 and name HB ))
3.200 1.300 1.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.11831E-02 ppm1 3.612 ppm2 2.164 CV 1
ASSI { 12}
(( segid "SID " and resid 376 and name HA ))
(( segid "SID " and resid 376 and name HB2 ))
2.500 0.800 0.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.45795E-02 ppm1 4.296 ppm2 2.132 CV 1
ASSI { 13}
(( segid "SID " and resid 376 and name HA ))
(( segid "SID " and resid 376 and name HB1 ))
2.700 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.51343E-02 ppm1 4.296 ppm2 2.251 CV 1
ASSI { 16}
(( segid "SID " and resid 370 and name HA ))
(( segid "SID " and resid 370 and name HB1 ))
3.100 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.10698E-02 ppm1 3.985 ppm2 1.704 CV 1
ASSI { 17}
(( segid "SID " and resid 373 and name HA ))
(( segid "SID " and resid 376 and name HB2 ))
3.800 1.900 1.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.46078E-03 ppm1 4.161 ppm2 2.135 CV 1
ASSI { 18}
(( segid "SID " and resid 373 and name HA ))
(( segid "SID " and resid 376 and name HB1 ))
3.800 1.800 1.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.42512E-03 ppm1 4.158 ppm2 2.248 CV 1
ASSI { 19}
(( segid "SID " and resid 373 and name HA ))
(( segid "SID " and resid 373 and name HB2 ))
3.100 1.200 1.200 peak 19 spectrum 1 weight 0.10000E+01 volume 0.16020E-02 ppm1 4.157 ppm2 2.353 CV 1
ASSI { 20}
(( segid "SID " and resid 373 and name HA ))
(( segid "SID " and resid 373 and name HB1 ))
2.600 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.39682E-02 ppm1 4.156 ppm2 2.504 CV 1
OR { 20}
(( segid "SID " and resid 373 and name HA ))
(( segid "SID " and resid 373 and name HG2 ))
ASSI { 21}
(( segid "SID " and resid 376 and name HA ))
(( segid "SID " and resid 376 and name HG2 ))
2.500 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.67929E-02 ppm1 4.295 ppm2 2.494 CV 1
OR { 21}
(( segid "SID " and resid 376 and name HA ))
(( segid "SID " and resid 376 and name HG1 ))
ASSI { 22}
(( segid "SID " and resid 362 and name HA ))
(( segid "SID " and resid 362 and name HG2 ))
2.700 0.900 0.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.41323E-02 ppm1 4.349 ppm2 2.589 CV 1
OR { 22}
(( segid "SID " and resid 362 and name HA ))
(( segid "SID " and resid 362 and name HG1 ))
ASSI { 23}
(( segid "SID " and resid 375 and name HA ))
(( segid "SID " and resid 375 and name HB2 ))
2.400 0.700 0.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.52418E-02 ppm1 4.246 ppm2 1.942 CV 1
ASSI { 24}
(( segid "SID " and resid 375 and name HA ))
(( segid "SID " and resid 375 and name HB1 ))
2.700 0.900 0.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.40304E-02 ppm1 4.247 ppm2 2.020 CV 1
ASSI { 25}
(( segid "SID " and resid 362 and name HA ))
(( segid "SID " and resid 362 and name HB2 ))
2.500 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.49927E-02 ppm1 4.342 ppm2 2.015 CV 1
OR { 25}
(( segid "SID " and resid 362 and name HA ))
(( segid "SID " and resid 362 and name HB1 ))
ASSI { 27}
(( segid "SID " and resid 378 and name HA ))
(( segid "SID " and resid 378 and name HB2 ))
2.200 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.11265E-01 ppm1 4.338 ppm2 1.803 CV 1
ASSI { 29}
(( segid "SID " and resid 375 and name HA ))
(( segid "SID " and resid 375 and name HG1 ))
2.800 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.32210E-02 ppm1 4.248 ppm2 1.787 CV 1
ASSI { 30}
(( segid "SID " and resid 375 and name HA ))
(( segid "SID " and resid 375 and name HG2 ))
2.700 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.54739E-02 ppm1 4.246 ppm2 1.720 CV 1
ASSI { 31}
(( segid "SID " and resid 359 and name HA ))
(( segid "SID " and resid 359 and name HB1 ))
3.700 1.700 1.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.61702E-03 ppm1 5.161 ppm2 3.140 CV 1
ASSI { 32}
(( segid "SID " and resid 359 and name HA ))
(( segid "SID " and resid 359 and name HB2 ))
3.700 1.700 1.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.45909E-03 ppm1 5.163 ppm2 3.086 CV 1
ASSI { 33}
(( segid "SID " and resid 358 and name HA ))
(( segid "SID " and resid 358 and name HB2 ))
1.900 0.500 0.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.27058E-01 ppm1 4.843 ppm2 2.717 CV 1
OR { 33}
(( segid "SID " and resid 358 and name HA ))
(( segid "SID " and resid 358 and name HB1 ))
ASSI { 34}
(( segid "SID " and resid 379 and name HA ))
( segid "SID " and resid 379 and name HB% )
2.100 0.500 0.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.16812E-01 ppm1 4.380 ppm2 1.432 CV 1
ASSI { 36}
(( segid "SID " and resid 367 and name HA ))
( segid "SID " and resid 370 and name HD1%)
4.000 2.000 2.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.37701E-03 ppm1 3.499 ppm2 0.683 CV 1
ASSI { 37}
(( segid "SID " and resid 373 and name HG1 ))
( segid "SID " and resid 373 and name HE% )
3.200 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.14038E-02 ppm1 2.844 ppm2 1.578 CV 1
ASSI { 38}
(( segid "SID " and resid 377 and name HD1 ))
(( segid "SID " and resid 377 and name HG1 ))
2.100 0.600 0.600 peak 38 spectrum 1 weight 0.10000E+01 volume 0.11661E-01 ppm1 3.127 ppm2 1.625 CV 1
OR { 38}
(( segid "SID " and resid 377 and name HD1 ))
(( segid "SID " and resid 377 and name HG2 ))
OR { 38}
(( segid "SID " and resid 377 and name HD2 ))
(( segid "SID " and resid 377 and name HG1 ))
OR { 38}
(( segid "SID " and resid 377 and name HD2 ))
(( segid "SID " and resid 377 and name HG2 ))
ASSI { 39}
(( segid "SID " and resid 377 and name HD2 ))
(( segid "SID " and resid 377 and name HB2 ))
2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.24907E-02 ppm1 3.128 ppm2 1.764 CV 1
OR { 39}
(( segid "SID " and resid 377 and name HD1 ))
(( segid "SID " and resid 377 and name HB2 ))
ASSI { 40}
(( segid "SID " and resid 377 and name HD2 ))
(( segid "SID " and resid 377 and name HB1 ))
2.900 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.26209E-02 ppm1 3.127 ppm2 1.914 CV 1
OR { 40}
(( segid "SID " and resid 377 and name HD1 ))
(( segid "SID " and resid 377 and name HB1 ))
ASSI { 44}
(( segid "SID " and resid 375 and name HD1 ))
(( segid "SID " and resid 375 and name HG1 ))
2.400 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.68495E-02 ppm1 3.251 ppm2 1.784 CV 1
OR { 44}
(( segid "SID " and resid 375 and name HD2 ))
(( segid "SID " and resid 375 and name HG1 ))
ASSI { 46}
(( segid "SID " and resid 375 and name HD1 ))
(( segid "SID " and resid 375 and name HB1 ))
3.100 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.25983E-02 ppm1 3.247 ppm2 2.017 CV 1
OR { 46}
(( segid "SID " and resid 375 and name HD2 ))
(( segid "SID " and resid 375 and name HB1 ))
ASSI { 47}
(( segid "SID " and resid 375 and name HD2 ))
(( segid "SID " and resid 375 and name HG2 ))
2.200 0.600 0.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.96795E-02 ppm1 3.254 ppm2 1.722 CV 1
OR { 47}
(( segid "SID " and resid 375 and name HD1 ))
(( segid "SID " and resid 375 and name HG2 ))
ASSI { 48}
(( segid "SID " and resid 362 and name HG2 ))
( segid "SID " and resid 362 and name HE% )
2.400 0.700 0.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.62834E-02 ppm1 2.581 ppm2 1.951 CV 1
OR { 48}
(( segid "SID " and resid 362 and name HG1 ))
( segid "SID " and resid 362 and name HE% )
ASSI { 49}
(( segid "SID " and resid 362 and name HG1 ))
(( segid "SID " and resid 362 and name HB2 ))
2.500 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.44663E-02 ppm1 2.577 ppm2 2.030 CV 1
OR { 49}
(( segid "SID " and resid 362 and name HG1 ))
(( segid "SID " and resid 362 and name HB1 ))
OR { 49}
(( segid "SID " and resid 362 and name HG2 ))
(( segid "SID " and resid 362 and name HB2 ))
OR { 49}
(( segid "SID " and resid 362 and name HG2 ))
(( segid "SID " and resid 362 and name HB1 ))
ASSI { 50}
(( segid "SID " and resid 376 and name HG1 ))
(( segid "SID " and resid 376 and name HB2 ))
2.400 0.700 0.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.80946E-02 ppm1 2.473 ppm2 2.136 CV 1
OR { 50}
(( segid "SID " and resid 376 and name HG2 ))
(( segid "SID " and resid 376 and name HB2 ))
ASSI { 51}
(( segid "SID " and resid 373 and name HG2 ))
( segid "SID " and resid 373 and name HE% )
2.900 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.27171E-02 ppm1 2.503 ppm2 1.580 CV 1
OR { 51}
(( segid "SID " and resid 373 and name HB1 ))
( segid "SID " and resid 373 and name HE% )
ASSI { 52}
(( segid "SID " and resid 373 and name HB2 ))
( segid "SID " and resid 373 and name HE% )
3.300 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.11888E-02 ppm1 2.333 ppm2 1.580 CV 1
ASSI { 53}
(( segid "SID " and resid 369 and name HB ))
( segid "SID " and resid 369 and name HG2%)
2.500 0.800 0.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.41550E-02 ppm1 2.156 ppm2 1.148 CV 1
ASSI { 54}
(( segid "SID " and resid 369 and name HB ))
( segid "SID " and resid 369 and name HG1%)
2.600 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.31530E-02 ppm1 2.155 ppm2 1.236 CV 1
ASSI { 55}
(( segid "SID " and resid 370 and name HB1 ))
( segid "SID " and resid 370 and name HD2%)
2.800 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.22700E-02 ppm1 1.708 ppm2 0.580 CV 1
ASSI { 57}
(( segid "SID " and resid 370 and name HB1 ))
( segid "SID " and resid 370 and name HD1%)
2.900 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.29039E-02 ppm1 1.710 ppm2 0.688 CV 1
ASSI { 59}
( segid "SID " and resid 366 and name HB% )
( segid "SID " and resid 369 and name HG2%)
2.900 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.48060E-02 ppm1 1.570 ppm2 1.149 CV 1
ASSI { 60}
(( segid "SID " and resid 374 and name HA ))
(( segid "SID " and resid 377 and name HD2 ))
3.500 1.500 1.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.89442E-03 ppm1 4.112 ppm2 3.136 CV 1
OR { 60}
(( segid "SID " and resid 374 and name HA ))
(( segid "SID " and resid 377 and name HD1 ))
ASSI { 61}
(( segid "SID " and resid 377 and name HA ))
(( segid "SID " and resid 377 and name HD2 ))
3.600 1.600 1.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.16359E-02 ppm1 4.333 ppm2 3.137 CV 1
OR { 61}
(( segid "SID " and resid 377 and name HA ))
(( segid "SID " and resid 377 and name HD1 ))
ASSI { 62}
(( segid "SID " and resid 378 and name HA ))
(( segid "SID " and resid 378 and name HD2 ))
3.200 1.300 1.300 peak 62 spectrum 1 weight 0.10000E+01 volume 0.20945E-02 ppm1 4.337 ppm2 3.219 CV 1
OR { 62}
(( segid "SID " and resid 378 and name HA ))
(( segid "SID " and resid 378 and name HD1 ))
ASSI { 63}
(( segid "SID " and resid 375 and name HA ))
(( segid "SID " and resid 375 and name HD2 ))
2.600 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.35833E-02 ppm1 4.247 ppm2 3.256 CV 1
OR { 63}
(( segid "SID " and resid 375 and name HA ))
(( segid "SID " and resid 375 and name HD1 ))
ASSI { 64}
(( segid "SID " and resid 373 and name HA ))
(( segid "SID " and resid 373 and name HG1 ))
3.500 1.600 1.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.83211E-03 ppm1 4.154 ppm2 2.852 CV 1
ASSI { 65}
(( segid "SID " and resid 363 and name HA ))
(( segid "SID " and resid 363 and name HB1 ))
2.900 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.31700E-02 ppm1 4.246 ppm2 2.777 CV 1
ASSI { 66}
(( segid "SID " and resid 363 and name HA ))
(( segid "SID " and resid 363 and name HB2 ))
2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.25643E-02 ppm1 4.247 ppm2 2.700 CV 1
ASSI { 67}
( segid "SID " and resid 359 and name HD% )
(( segid "SID " and resid 359 and name HA ))
4.200 2.200 1.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.30511E-03 ppm1 7.210 ppm2 5.170 CV 1
ASSI { 68}
( segid "SID " and resid 359 and name HE% )
(( segid "SID " and resid 359 and name HA ))
4.900 3.000 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.20832E-03 ppm1 7.156 ppm2 5.177 CV 1
ASSI { 4}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 347 and name HN ))
3.500 1.600 1.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.60161E-03 ppm1 8.260 ppm2 1.426 CV 1
ASSI { 5}
(( segid "PAH " and resid 346 and name HN ))
(( segid "PAH " and resid 347 and name HN ))
2.600 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.38113E-02 ppm1 8.259 ppm2 8.046 CV 1
ASSI { 7}
(( segid "PAH " and resid 345 and name HA ))
(( segid "PAH " and resid 346 and name HN ))
2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.31309E-02 ppm1 8.041 ppm2 4.324 CV 1
ASSI { 8}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 346 and name HN ))
3.000 1.200 1.200 peak 8 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 8.037 ppm2 4.139 CV 1
ASSI { 9}
(( segid "PAH " and resid 346 and name HA1 ))
(( segid "PAH " and resid 346 and name HN ))
2.600 0.800 0.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.61106E-02 ppm1 8.043 ppm2 4.038 CV 1
ASSI { 10}
(( segid "PAH " and resid 346 and name HA2 ))
(( segid "PAH " and resid 346 and name HN ))
2.200 0.600 0.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10111E-01 ppm1 8.041 ppm2 3.920 CV 1
ASSI { 11}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 346 and name HN ))
2.800 1.000 1.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.26080E-02 ppm1 8.044 ppm2 1.418 CV 1
ASSI { 12}
(( segid "PAH " and resid 345 and name HN ))
(( segid "PAH " and resid 346 and name HN ))
2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.26364E-02 ppm1 8.044 ppm2 7.809 CV 1
ASSI { 15}
(( segid "PAH " and resid 330 and name HB2 ))
(( segid "PAH " and resid 331 and name HN ))
2.900 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.16253E-02 ppm1 7.844 ppm2 2.074 CV 1
OR { 15}
(( segid "PAH " and resid 330 and name HB1 ))
(( segid "PAH " and resid 331 and name HN ))
ASSI { 16}
(( segid "PAH " and resid 331 and name HB ))
(( segid "PAH " and resid 331 and name HN ))
2.200 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.61736E-02 ppm1 7.845 ppm2 1.737 CV 1
OR { 16}
(( segid "PAH " and resid 331 and name HG11))
(( segid "PAH " and resid 331 and name HN ))
ASSI { 17}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 331 and name HN ))
4.000 2.000 2.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.61421E-03 ppm1 7.843 ppm2 0.755 CV 1
ASSI { 18}
(( segid "PAH " and resid 331 and name HG12))
(( segid "PAH " and resid 331 and name HN ))
4.000 2.000 2.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.12221E-02 ppm1 7.844 ppm2 1.044 CV 1
ASSI { 19}
(( segid "PAH " and resid 332 and name HN ))
(( segid "PAH " and resid 331 and name HN ))
3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.12473E-02 ppm1 7.847 ppm2 7.175 CV 1
ASSI { 21}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 331 and name HN ))
3.600 1.600 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.53232E-03 ppm1 7.837 ppm2 4.070 CV 1
ASSI { 22}
(( segid "PAH " and resid 328 and name HA ))
(( segid "PAH " and resid 331 and name HN ))
4.300 2.300 1.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.18458E-03 ppm1 7.857 ppm2 3.859 CV 1
ASSI { 23}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 331 and name HN ))
3.300 1.400 1.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.23718E-02 ppm1 7.846 ppm2 0.694 CV 1
ASSI { 24}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 331 and name HN ))
3.400 1.400 1.400 peak 24 spectrum 1 weight 0.10000E+01 volume 0.48822E-03 ppm1 7.849 ppm2 0.582 CV 1
ASSI { 26}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 324 and name HN ))
4.000 2.000 2.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.78116E-03 ppm1 7.854 ppm2 0.069 CV 1
ASSI { 29}
( segid "PAH " and resid 352 and name HB% )
(( segid "PAH " and resid 352 and name HN ))
2.300 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.80003E-02 ppm1 8.833 ppm2 1.364 CV 1
ASSI { 30}
(( segid "PAH " and resid 351 and name HB2 ))
(( segid "PAH " and resid 352 and name HN ))
3.800 1.800 1.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.50712E-03 ppm1 8.827 ppm2 1.865 CV 1
ASSI { 31}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 352 and name HN ))
3.200 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.14080E-02 ppm1 8.827 ppm2 2.301 CV 1
ASSI { 32}
(( segid "PAH " and resid 352 and name HA ))
(( segid "PAH " and resid 352 and name HN ))
2.600 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.38428E-02 ppm1 8.828 ppm2 4.233 CV 1
ASSI { 33}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 352 and name HN ))
4.700 2.700 1.300 peak 33 spectrum 1 weight 0.10000E+01 volume 0.22868E-03 ppm1 8.834 ppm2 6.813 CV 1
ASSI { 34}
(( segid "PAH " and resid 353 and name HN ))
(( segid "PAH " and resid 352 and name HN ))
2.700 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.24852E-02 ppm1 8.827 ppm2 7.545 CV 1
ASSI { 35}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 352 and name HN ))
2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.90082E-02 ppm1 8.827 ppm2 4.355 CV 1
ASSI { 36}
( segid "PAH " and resid 349 and name HD% )
(( segid "PAH " and resid 350 and name HN ))
3.300 1.400 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.93862E-03 ppm1 7.991 ppm2 6.930 CV 1
ASSI { 38}
(( segid "PAH " and resid 349 and name HA ))
(( segid "PAH " and resid 350 and name HN ))
2.000 0.500 0.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.16631E-01 ppm1 7.989 ppm2 4.515 CV 1
ASSI { 39}
(( segid "PAH " and resid 350 and name HB ))
(( segid "PAH " and resid 350 and name HN ))
2.600 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.37798E-02 ppm1 7.990 ppm2 3.871 CV 1
ASSI { 40}
(( segid "PAH " and resid 351 and name HD2 ))
(( segid "PAH " and resid 350 and name HN ))
4.000 2.000 2.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.47562E-03 ppm1 7.992 ppm2 3.720 CV 1
OR { 40}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 350 and name HN ))
ASSI { 41}
(( segid "PAH " and resid 349 and name HB1 ))
(( segid "PAH " and resid 350 and name HN ))
3.300 1.400 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.14772E-02 ppm1 7.999 ppm2 2.945 CV 1
ASSI { 42}
(( segid "PAH " and resid 349 and name HB2 ))
(( segid "PAH " and resid 350 and name HN ))
3.700 1.700 1.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.11370E-02 ppm1 7.995 ppm2 2.788 CV 1
ASSI { 43}
( segid "PAH " and resid 350 and name HG2%)
(( segid "PAH " and resid 350 and name HN ))
4.200 2.200 1.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.52917E-03 ppm1 7.990 ppm2 1.118 CV 1
ASSI { 47}
(( segid "PAH " and resid 319 and name HA ))
(( segid "PAH " and resid 320 and name HN ))
3.300 1.400 1.400 peak 47 spectrum 1 weight 0.10000E+01 volume 0.93236E-03 ppm1 8.863 ppm2 4.044 CV 1
ASSI { 48}
(( segid "PAH " and resid 320 and name HA2 ))
(( segid "PAH " and resid 320 and name HN ))
3.200 1.300 1.300 peak 48 spectrum 1 weight 0.10000E+01 volume 0.18143E-02 ppm1 8.863 ppm2 3.810 CV 1
ASSI { 50}
(( segid "PAH " and resid 319 and name HB2 ))
(( segid "PAH " and resid 320 and name HN ))
3.700 1.700 1.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.91659E-03 ppm1 8.870 ppm2 2.076 CV 1
ASSI { 53}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 319 and name HN ))
4.000 2.000 2.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.36538E-03 ppm1 7.172 ppm2 4.341 CV 1
ASSI { 54}
(( segid "PAH " and resid 319 and name HA ))
(( segid "PAH " and resid 319 and name HN ))
2.700 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.33388E-02 ppm1 7.178 ppm2 4.049 CV 1
ASSI { 56}
(( segid "PAH " and resid 319 and name HB1 ))
(( segid "PAH " and resid 319 and name HN ))
2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.48192E-02 ppm1 7.176 ppm2 2.219 CV 1
ASSI { 57}
(( segid "PAH " and resid 319 and name HB2 ))
(( segid "PAH " and resid 319 and name HN ))
2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.44727E-02 ppm1 7.176 ppm2 2.084 CV 1
ASSI { 58}
(( segid "PAH " and resid 318 and name HA ))
(( segid "PAH " and resid 319 and name HN ))
3.000 1.200 1.200 peak 58 spectrum 1 weight 0.10000E+01 volume 0.14584E-02 ppm1 7.177 ppm2 4.893 CV 1
ASSI { 60}
(( segid "PAH " and resid 363 and name HN ))
(( segid "PAH " and resid 362 and name HN ))
2.900 1.100 1.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14206E-02 ppm1 8.342 ppm2 8.731 CV 1
ASSI { 62}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 362 and name HN ))
3.000 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.92293E-03 ppm1 8.352 ppm2 2.042 CV 1
ASSI { 63}
(( segid "PAH " and resid 362 and name HB ))
(( segid "PAH " and resid 362 and name HN ))
2.700 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.27561E-02 ppm1 8.345 ppm2 1.430 CV 1
ASSI { 64}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 362 and name HN ))
5.000 3.100 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.92919E-04 ppm1 8.354 ppm2 0.728 CV 1
ASSI { 65}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 362 and name HN ))
3.400 1.400 1.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.24254E-02 ppm1 8.349 ppm2 0.421 CV 1
ASSI { 66}
( segid "PAH " and resid 362 and name HG2%)
(( segid "PAH " and resid 362 and name HN ))
3.300 1.400 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.65516E-03 ppm1 8.343 ppm2 -0.161 CV 1
ASSI { 68}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 362 and name HN ))
5.100 3.300 0.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.15119E-03 ppm1 8.343 ppm2 1.162 CV 1
ASSI { 72}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 373 and name HN ))
4.000 2.000 2.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.30364E-03 ppm1 8.132 ppm2 3.978 CV 1
ASSI { 73}
(( segid "PAH " and resid 335 and name HB2 ))
(( segid "PAH " and resid 335 and name HN ))
2.700 0.900 0.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.21860E-02 ppm1 8.173 ppm2 2.953 CV 1
ASSI { 74}
(( segid "PAH " and resid 373 and name HB1 ))
(( segid "PAH " and resid 373 and name HN ))
3.600 1.600 1.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.15150E-02 ppm1 8.141 ppm2 2.159 CV 1
ASSI { 76}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 373 and name HN ))
2.800 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.17608E-02 ppm1 8.136 ppm2 1.709 CV 1
ASSI { 79}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 342 and name HN ))
2.100 0.500 0.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.13512E-01 ppm1 7.938 ppm2 1.435 CV 1
ASSI { 81}
(( segid "PAH " and resid 341 and name HB2 ))
(( segid "PAH " and resid 342 and name HN ))
3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.14804E-02 ppm1 7.935 ppm2 2.434 CV 1
ASSI { 82}
(( segid "PAH " and resid 341 and name HB1 ))
(( segid "PAH " and resid 342 and name HN ))
2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.29986E-02 ppm1 7.939 ppm2 2.721 CV 1
ASSI { 85}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 342 and name HN ))
2.800 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.26710E-02 ppm1 7.936 ppm2 4.319 CV 1
ASSI { 87}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 342 and name HN ))
3.300 1.300 1.300 peak 87 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 7.931 ppm2 6.805 CV 1
ASSI { 88}
( segid "PAH " and resid 349 and name HD% )
(( segid "PAH " and resid 342 and name HN ))
3.700 1.700 1.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.68351E-03 ppm1 7.935 ppm2 6.932 CV 1
ASSI { 93}
(( segid "PAH " and resid 325 and name HN ))
(( segid "PAH " and resid 324 and name HN ))
2.900 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.16032E-02 ppm1 7.860 ppm2 6.788 CV 1
ASSI { 95}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 324 and name HN ))
2.200 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.66146E-02 ppm1 7.866 ppm2 1.546 CV 1
OR { 95}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 324 and name HN ))
ASSI { 96}
(( segid "PAH " and resid 324 and name HG12))
(( segid "PAH " and resid 324 and name HN ))
3.500 1.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.19340E-02 ppm1 7.869 ppm2 1.159 CV 1
ASSI { 98}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 327 and name HN ))
2.200 0.600 0.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.95756E-02 ppm1 7.699 ppm2 1.515 CV 1
ASSI { 99}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 327 and name HN ))
2.700 0.900 0.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.30458E-02 ppm1 7.691 ppm2 1.845 CV 1
OR { 99}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 327 and name HN ))
ASSI { 100}
(( segid "PAH " and resid 324 and name HA ))
(( segid "PAH " and resid 327 and name HN ))
3.100 1.200 1.200 peak 100 spectrum 1 weight 0.10000E+01 volume 0.12378E-02 ppm1 7.695 ppm2 3.692 CV 1
ASSI { 101}
(( segid "PAH " and resid 327 and name HA ))
(( segid "PAH " and resid 327 and name HN ))
2.600 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.35908E-02 ppm1 7.696 ppm2 4.097 CV 1
ASSI { 109}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 327 and name HN ))
3.400 1.400 1.400 peak 109 spectrum 1 weight 0.10000E+01 volume 0.93552E-03 ppm1 7.693 ppm2 3.629 CV 1
ASSI { 113}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 357 and name HN ))
2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.23025E-02 ppm1 7.744 ppm2 4.230 CV 1
ASSI { 114}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 357 and name HN ))
3.800 1.800 1.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.45987E-03 ppm1 7.747 ppm2 4.106 CV 1
ASSI { 115}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 357 and name HN ))
2.400 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.67406E-02 ppm1 7.743 ppm2 2.324 CV 1
ASSI { 119}
(( segid "PAH " and resid 363 and name HA ))
(( segid "PAH " and resid 363 and name HN ))
2.800 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.22521E-02 ppm1 8.732 ppm2 3.796 CV 1
ASSI { 120}
(( segid "PAH " and resid 362 and name HB ))
(( segid "PAH " and resid 363 and name HN ))
2.900 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.17986E-02 ppm1 8.729 ppm2 1.439 CV 1
ASSI { 121}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 363 and name HN ))
2.500 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.49137E-02 ppm1 8.730 ppm2 1.182 CV 1
ASSI { 124}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 370 and name HN ))
2.600 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.39372E-02 ppm1 8.767 ppm2 3.986 CV 1
ASSI { 125}
(( segid "PAH " and resid 370 and name HB2 ))
(( segid "PAH " and resid 370 and name HN ))
2.200 0.600 0.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.85676E-02 ppm1 8.772 ppm2 2.122 CV 1
OR { 125}
(( segid "PAH " and resid 370 and name HB1 ))
(( segid "PAH " and resid 370 and name HN ))
ASSI { 126}
(( segid "PAH " and resid 370 and name HG1 ))
(( segid "PAH " and resid 370 and name HN ))
2.900 1.100 1.100 peak 126 spectrum 1 weight 0.10000E+01 volume 0.26427E-02 ppm1 8.774 ppm2 2.414 CV 1
OR { 126}
(( segid "PAH " and resid 370 and name HG2 ))
(( segid "PAH " and resid 370 and name HN ))
ASSI { 129}
(( segid "PAH " and resid 369 and name HN ))
(( segid "PAH " and resid 370 and name HN ))
3.600 1.700 1.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.74020E-03 ppm1 8.771 ppm2 8.089 CV 1
ASSI { 132}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 370 and name HN ))
3.900 1.900 1.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.65201E-03 ppm1 8.770 ppm2 1.822 CV 1
OR { 132}
(( segid "PAH " and resid 369 and name HB2 ))
(( segid "PAH " and resid 370 and name HN ))
ASSI { 133}
(( segid "PAH " and resid 317 and name HA ))
(( segid "PAH " and resid 317 and name HN ))
3.200 1.300 1.300 peak 133 spectrum 1 weight 0.10000E+01 volume 0.11434E-02 ppm1 8.226 ppm2 3.828 CV 1
ASSI { 134}
(( segid "PAH " and resid 316 and name HB2 ))
(( segid "PAH " and resid 317 and name HN ))
3.700 1.700 1.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.84416E-03 ppm1 8.241 ppm2 2.662 CV 1
ASSI { 135}
(( segid "PAH " and resid 317 and name HB1 ))
(( segid "PAH " and resid 317 and name HN ))
3.200 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.18300E-02 ppm1 8.231 ppm2 1.577 CV 1
ASSI { 136}
(( segid "PAH " and resid 317 and name HB2 ))
(( segid "PAH " and resid 317 and name HN ))
3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.88823E-03 ppm1 8.233 ppm2 1.068 CV 1
ASSI { 140}
(( segid "PAH " and resid 316 and name HB1 ))
(( segid "PAH " and resid 317 and name HN ))
3.300 1.400 1.400 peak 140 spectrum 1 weight 0.10000E+01 volume 0.68980E-03 ppm1 8.238 ppm2 2.738 CV 1
ASSI { 141}
(( segid "PAH " and resid 335 and name HB1 ))
(( segid "PAH " and resid 335 and name HN ))
3.000 1.100 1.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.15812E-02 ppm1 8.174 ppm2 3.202 CV 1
ASSI { 142}
(( segid "PAH " and resid 334 and name HA ))
(( segid "PAH " and resid 335 and name HN ))
3.400 1.400 1.400 peak 142 spectrum 1 weight 0.10000E+01 volume 0.91976E-03 ppm1 8.169 ppm2 3.853 CV 1
ASSI { 143}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 335 and name HN ))
3.100 1.200 1.200 peak 143 spectrum 1 weight 0.10000E+01 volume 0.13638E-02 ppm1 8.177 ppm2 4.053 CV 1
ASSI { 144}
(( segid "PAH " and resid 334 and name HB ))
(( segid "PAH " and resid 335 and name HN ))
2.800 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.21639E-02 ppm1 8.157 ppm2 4.356 CV 1
ASSI { 145}
(( segid "PAH " and resid 336 and name HN ))
(( segid "PAH " and resid 335 and name HN ))
2.700 0.900 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.23876E-02 ppm1 8.176 ppm2 8.330 CV 1
ASSI { 146}
(( segid "PAH " and resid 334 and name HN ))
(( segid "PAH " and resid 335 and name HN ))
3.000 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.12694E-02 ppm1 8.176 ppm2 8.604 CV 1
ASSI { 149}
( segid "PAH " and resid 349 and name HD% )
(( segid "PAH " and resid 349 and name HN ))
3.700 1.700 1.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.13576E-02 ppm1 7.931 ppm2 6.929 CV 1
ASSI { 150}
(( segid "PAH " and resid 349 and name HA ))
(( segid "PAH " and resid 349 and name HN ))
2.500 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.41892E-02 ppm1 7.932 ppm2 4.520 CV 1
ASSI { 153}
(( segid "PAH " and resid 349 and name HB1 ))
(( segid "PAH " and resid 349 and name HN ))
2.300 0.600 0.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.72443E-02 ppm1 7.933 ppm2 2.949 CV 1
ASSI { 154}
(( segid "PAH " and resid 349 and name HB2 ))
(( segid "PAH " and resid 349 and name HN ))
2.300 0.700 0.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.79376E-02 ppm1 7.933 ppm2 2.778 CV 1
ASSI { 157}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 349 and name HN ))
3.100 1.200 1.200 peak 157 spectrum 1 weight 0.10000E+01 volume 0.20757E-02 ppm1 7.931 ppm2 1.425 CV 1
ASSI { 160}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 345 and name HN ))
2.200 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.10363E-01 ppm1 7.811 ppm2 1.423 CV 1
ASSI { 161}
(( segid "PAH " and resid 344 and name HB2 ))
(( segid "PAH " and resid 345 and name HN ))
2.800 1.000 1.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.20600E-02 ppm1 7.811 ppm2 1.943 CV 1
ASSI { 162}
(( segid "PAH " and resid 344 and name HB1 ))
(( segid "PAH " and resid 345 and name HN ))
3.100 1.200 1.200 peak 162 spectrum 1 weight 0.10000E+01 volume 0.28191E-02 ppm1 7.814 ppm2 2.076 CV 1
ASSI { 165}
(( segid "PAH " and resid 345 and name HA ))
(( segid "PAH " and resid 345 and name HN ))
2.700 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.31466E-02 ppm1 7.812 ppm2 4.327 CV 1
ASSI { 167}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 358 and name HN ))
2.800 1.000 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.59216E-02 ppm1 8.213 ppm2 0.813 CV 1
ASSI { 168}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 358 and name HN ))
2.800 1.000 1.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.20096E-02 ppm1 8.211 ppm2 0.714 CV 1
ASSI { 172}
(( segid "PAH " and resid 358 and name HB ))
(( segid "PAH " and resid 358 and name HN ))
2.300 0.700 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.54807E-02 ppm1 8.213 ppm2 2.191 CV 1
ASSI { 174}
(( segid "PAH " and resid 358 and name HA ))
(( segid "PAH " and resid 358 and name HN ))
2.900 1.000 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.18741E-02 ppm1 8.210 ppm2 3.409 CV 1
ASSI { 175}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 358 and name HN ))
3.200 1.300 1.300 peak 175 spectrum 1 weight 0.10000E+01 volume 0.12126E-02 ppm1 8.215 ppm2 3.740 CV 1
ASSI { 176}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 358 and name HN ))
3.000 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.18993E-02 ppm1 8.199 ppm2 4.250 CV 1
ASSI { 178}
(( segid "PAH " and resid 360 and name HN ))
(( segid "PAH " and resid 358 and name HN ))
3.000 1.200 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.15654E-02 ppm1 8.212 ppm2 7.990 CV 1
ASSI { 180}
(( segid "PAH " and resid 341 and name HN ))
(( segid "PAH " and resid 340 and name HN ))
2.500 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.43152E-02 ppm1 7.994 ppm2 8.268 CV 1
ASSI { 182}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HN ))
2.500 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.49452E-02 ppm1 7.996 ppm2 4.047 CV 1
ASSI { 184}
(( segid "PAH " and resid 328 and name HB1 ))
(( segid "PAH " and resid 328 and name HN ))
3.000 1.100 1.100 peak 184 spectrum 1 weight 0.10000E+01 volume 0.14520E-02 ppm1 8.012 ppm2 3.406 CV 1
ASSI { 185}
(( segid "PAH " and resid 340 and name HD2 ))
(( segid "PAH " and resid 340 and name HN ))
3.900 1.900 1.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.68351E-03 ppm1 8.000 ppm2 3.154 CV 1
OR { 185}
(( segid "PAH " and resid 340 and name HD1 ))
(( segid "PAH " and resid 340 and name HN ))
ASSI { 186}
(( segid "PAH " and resid 328 and name HB2 ))
(( segid "PAH " and resid 328 and name HN ))
2.700 0.900 0.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.21734E-02 ppm1 8.009 ppm2 2.992 CV 1
ASSI { 189}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 328 and name HN ))
2.800 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.21765E-02 ppm1 8.010 ppm2 1.506 CV 1
ASSI { 191}
(( segid "PAH " and resid 340 and name HG1 ))
(( segid "PAH " and resid 340 and name HN ))
2.500 0.800 0.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.34648E-02 ppm1 7.993 ppm2 1.714 CV 1
ASSI { 193}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 328 and name HN ))
3.100 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 8.012 ppm2 0.734 CV 1
ASSI { 194}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 328 and name HN ))
4.100 2.100 1.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.76223E-03 ppm1 7.999 ppm2 6.899 CV 1
ASSI { 201}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HN ))
3.100 1.200 1.200 peak 201 spectrum 1 weight 0.10000E+01 volume 0.18836E-02 ppm1 7.012 ppm2 1.467 CV 1
OR { 201}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HN ))
ASSI { 202}
(( segid "PAH " and resid 367 and name HD1 ))
(( segid "PAH " and resid 367 and name HN ))
4.300 2.300 1.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.34018E-03 ppm1 7.014 ppm2 1.760 CV 1
OR { 202}
(( segid "PAH " and resid 367 and name HD2 ))
(( segid "PAH " and resid 367 and name HN ))
ASSI { 204}
(( segid "PAH " and resid 367 and name HB1 ))
(( segid "PAH " and resid 367 and name HN ))
2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.28128E-02 ppm1 7.013 ppm2 2.008 CV 1
ASSI { 205}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HN ))
2.600 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.40317E-02 ppm1 7.014 ppm2 4.038 CV 1
ASSI { 206}
(( segid "PAH " and resid 366 and name HA ))
(( segid "PAH " and resid 367 and name HN ))
3.300 1.400 1.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.79693E-03 ppm1 7.014 ppm2 4.975 CV 1
ASSI { 209}
(( segid "PAH " and resid 372 and name HG ))
(( segid "PAH " and resid 372 and name HN ))
2.500 0.800 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.44727E-02 ppm1 7.755 ppm2 1.575 CV 1
ASSI { 213}
(( segid "PAH " and resid 372 and name HB1 ))
(( segid "PAH " and resid 372 and name HN ))
3.400 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.16631E-02 ppm1 7.756 ppm2 1.654 CV 1
ASSI { 215}
(( segid "PAH " and resid 296 and name HB2 ))
(( segid "PAH " and resid 297 and name HN ))
3.400 1.400 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.89456E-03 ppm1 8.463 ppm2 1.615 CV 1
OR { 215}
(( segid "PAH " and resid 296 and name HB1 ))
(( segid "PAH " and resid 297 and name HN ))
ASSI { 216}
(( segid "PAH " and resid 297 and name HB2 ))
(( segid "PAH " and resid 297 and name HN ))
2.900 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.17135E-02 ppm1 8.464 ppm2 1.956 CV 1
ASSI { 217}
(( segid "PAH " and resid 297 and name HB1 ))
(( segid "PAH " and resid 297 and name HN ))
3.700 1.800 1.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.67721E-03 ppm1 8.466 ppm2 2.071 CV 1
ASSI { 218}
(( segid "PAH " and resid 297 and name HG1 ))
(( segid "PAH " and resid 297 and name HN ))
3.600 1.600 1.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.70873E-03 ppm1 8.461 ppm2 2.337 CV 1
OR { 218}
(( segid "PAH " and resid 297 and name HG2 ))
(( segid "PAH " and resid 297 and name HN ))
ASSI { 219}
(( segid "PAH " and resid 296 and name HA ))
(( segid "PAH " and resid 297 and name HN ))
2.600 0.900 0.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.36538E-02 ppm1 8.465 ppm2 4.388 CV 1
ASSI { 220}
(( segid "PAH " and resid 297 and name HA ))
(( segid "PAH " and resid 297 and name HN ))
3.200 1.300 1.300 peak 220 spectrum 1 weight 0.10000E+01 volume 0.11150E-02 ppm1 8.462 ppm2 4.300 CV 1
ASSI { 227}
( segid "PAH " and resid 372 and name HD2%)
(( segid "PAH " and resid 372 and name HN ))
4.100 2.100 1.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.55437E-03 ppm1 7.751 ppm2 0.206 CV 1
ASSI { 228}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 372 and name HN ))
3.100 1.200 1.200 peak 228 spectrum 1 weight 0.10000E+01 volume 0.11560E-02 ppm1 7.753 ppm2 0.531 CV 1
ASSI { 229}
(( segid "PAH " and resid 372 and name HB2 ))
(( segid "PAH " and resid 372 and name HN ))
3.400 1.400 1.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.54177E-03 ppm1 7.748 ppm2 1.040 CV 1
ASSI { 231}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 365 and name HN ))
3.600 1.600 1.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.11434E-02 ppm1 7.432 ppm2 0.716 CV 1
ASSI { 232}
(( segid "PAH " and resid 365 and name HB2 ))
(( segid "PAH " and resid 365 and name HN ))
2.500 0.800 0.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.32128E-02 ppm1 7.431 ppm2 1.302 CV 1
ASSI { 233}
(( segid "PAH " and resid 365 and name HB1 ))
(( segid "PAH " and resid 365 and name HN ))
2.900 1.000 1.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.26899E-02 ppm1 7.434 ppm2 1.445 CV 1
ASSI { 235}
(( segid "PAH " and resid 364 and name HB2 ))
(( segid "PAH " and resid 365 and name HN ))
2.800 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.29450E-02 ppm1 7.431 ppm2 1.832 CV 1
OR { 235}
(( segid "PAH " and resid 364 and name HB1 ))
(( segid "PAH " and resid 365 and name HN ))
ASSI { 236}
(( segid "PAH " and resid 362 and name HA ))
(( segid "PAH " and resid 365 and name HN ))
3.500 1.500 1.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.69923E-03 ppm1 7.433 ppm2 2.936 CV 1
ASSI { 240}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 365 and name HN ))
3.500 1.500 1.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.13922E-02 ppm1 7.431 ppm2 0.788 CV 1
ASSI { 242}
(( segid "PAH " and resid 368 and name HN ))
(( segid "PAH " and resid 369 and name HN ))
2.600 0.800 0.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.30868E-02 ppm1 8.091 ppm2 8.891 CV 1
ASSI { 243}
(( segid "PAH " and resid 369 and name HB2 ))
(( segid "PAH " and resid 369 and name HN ))
2.500 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.45357E-02 ppm1 8.100 ppm2 1.830 CV 1
OR { 243}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 369 and name HN ))
ASSI { 244}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 369 and name HN ))
3.400 1.500 1.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.99219E-03 ppm1 8.094 ppm2 4.021 CV 1
ASSI { 245}
(( segid "PAH " and resid 369 and name HG1 ))
(( segid "PAH " and resid 369 and name HN ))
3.300 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 8.090 ppm2 2.403 CV 1
ASSI { 249}
(( segid "PAH " and resid 369 and name HG2 ))
(( segid "PAH " and resid 369 and name HN ))
3.400 1.400 1.400 peak 249 spectrum 1 weight 0.10000E+01 volume 0.76857E-03 ppm1 8.092 ppm2 2.322 CV 1
ASSI { 250}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HN ))
3.700 1.700 1.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.12882E-02 ppm1 8.032 ppm2 1.411 CV 1
ASSI { 251}
(( segid "PAH " and resid 337 and name HB2 ))
(( segid "PAH " and resid 337 and name HN ))
1.900 0.500 0.500 peak 251 spectrum 1 weight 0.10000E+01 volume 0.19119E-01 ppm1 8.025 ppm2 1.842 CV 1
ASSI { 252}
(( segid "PAH " and resid 336 and name HB2 ))
(( segid "PAH " and resid 337 and name HN ))
2.600 0.800 0.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.36223E-02 ppm1 8.027 ppm2 2.241 CV 1
OR { 252}
(( segid "PAH " and resid 336 and name HB1 ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 254}
(( segid "PAH " and resid 336 and name HN ))
(( segid "PAH " and resid 337 and name HN ))
2.500 0.800 0.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.37483E-02 ppm1 8.019 ppm2 8.325 CV 1
ASSI { 257}
(( segid "PAH " and resid 381 and name HB2 ))
(( segid "PAH " and resid 382 and name HN ))
3.400 1.400 1.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 8.307 ppm2 1.927 CV 1
ASSI { 258}
(( segid "PAH " and resid 381 and name HB1 ))
(( segid "PAH " and resid 382 and name HN ))
3.800 1.900 1.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.84099E-03 ppm1 8.312 ppm2 2.287 CV 1
ASSI { 259}
(( segid "PAH " and resid 382 and name HB2 ))
(( segid "PAH " and resid 382 and name HN ))
2.800 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.25608E-02 ppm1 8.306 ppm2 2.510 CV 1
ASSI { 260}
(( segid "PAH " and resid 382 and name HB1 ))
(( segid "PAH " and resid 382 and name HN ))
3.000 1.100 1.100 peak 260 spectrum 1 weight 0.10000E+01 volume 0.17986E-02 ppm1 8.311 ppm2 2.623 CV 1
ASSI { 261}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 382 and name HN ))
2.100 0.600 0.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.10206E-01 ppm1 8.307 ppm2 4.388 CV 1
ASSI { 263}
(( segid "PAH " and resid 381 and name HG1 ))
(( segid "PAH " and resid 382 and name HN ))
3.200 3.200 2.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.62681E-03 ppm1 8.311 ppm2 2.042 CV 1
OR { 263}
(( segid "PAH " and resid 381 and name HG2 ))
(( segid "PAH " and resid 382 and name HN ))
ASSI { 266}
(( segid "PAH " and resid 383 and name HN ))
(( segid "PAH " and resid 382 and name HN ))
3.500 1.500 1.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.13355E-02 ppm1 8.307 ppm2 7.698 CV 1
ASSI { 267}
( segid "PAH " and resid 354 and name HG2%)
(( segid "PAH " and resid 355 and name HN ))
4.500 2.600 1.500 peak 267 spectrum 1 weight 0.10000E+01 volume 0.57327E-03 ppm1 9.235 ppm2 1.333 CV 1
ASSI { 268}
(( segid "PAH " and resid 355 and name HB2 ))
(( segid "PAH " and resid 355 and name HN ))
3.700 1.700 1.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.39372E-03 ppm1 9.239 ppm2 1.984 CV 1
ASSI { 269}
(( segid "PAH " and resid 355 and name HB1 ))
(( segid "PAH " and resid 355 and name HN ))
3.000 1.200 1.200 peak 269 spectrum 1 weight 0.10000E+01 volume 0.18458E-02 ppm1 9.234 ppm2 2.241 CV 1
ASSI { 270}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 355 and name HN ))
3.300 1.300 1.300 peak 270 spectrum 1 weight 0.10000E+01 volume 0.81896E-03 ppm1 9.232 ppm2 3.744 CV 1
ASSI { 271}
(( segid "PAH " and resid 354 and name HA ))
(( segid "PAH " and resid 355 and name HN ))
2.800 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.26427E-02 ppm1 9.233 ppm2 4.670 CV 1
ASSI { 273}
(( segid "PAH " and resid 375 and name HB2 ))
(( segid "PAH " and resid 376 and name HN ))
3.200 1.300 1.300 peak 273 spectrum 1 weight 0.10000E+01 volume 0.81580E-03 ppm1 7.918 ppm2 2.120 CV 1
ASSI { 274}
(( segid "PAH " and resid 376 and name HB2 ))
(( segid "PAH " and resid 376 and name HN ))
2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.30584E-02 ppm1 7.921 ppm2 3.375 CV 1
ASSI { 275}
(( segid "PAH " and resid 376 and name HB1 ))
(( segid "PAH " and resid 376 and name HN ))
2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.57641E-02 ppm1 7.917 ppm2 4.042 CV 1
ASSI { 276}
(( segid "PAH " and resid 376 and name HA ))
(( segid "PAH " and resid 376 and name HN ))
2.800 1.000 1.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.18836E-02 ppm1 7.919 ppm2 4.167 CV 1
ASSI { 278}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 376 and name HN ))
5.100 3.300 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.18332E-03 ppm1 7.920 ppm2 7.112 CV 1
ASSI { 281}
(( segid "PAH " and resid 300 and name HB1 ))
(( segid "PAH " and resid 300 and name HN ))
3.900 1.900 1.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.45357E-03 ppm1 8.193 ppm2 1.992 CV 1
ASSI { 282}
(( segid "PAH " and resid 300 and name HA ))
(( segid "PAH " and resid 300 and name HN ))
3.200 1.300 1.300 peak 282 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 8.194 ppm2 4.428 CV 1
ASSI { 284}
(( segid "PAH " and resid 315 and name HA ))
(( segid "PAH " and resid 315 and name HN ))
3.200 1.300 1.300 peak 284 spectrum 1 weight 0.10000E+01 volume 0.10111E-02 ppm1 8.367 ppm2 3.049 CV 1
ASSI { 285}
(( segid "PAH " and resid 359 and name HN ))
(( segid "PAH " and resid 360 and name HN ))
2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.27876E-02 ppm1 8.000 ppm2 8.213 CV 1
ASSI { 287}
( segid "PAH " and resid 359 and name HD% )
(( segid "PAH " and resid 360 and name HN ))
3.700 1.700 1.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.65831E-03 ppm1 7.991 ppm2 7.112 CV 1
ASSI { 288}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 360 and name HN ))
3.100 1.200 1.200 peak 288 spectrum 1 weight 0.10000E+01 volume 0.13292E-02 ppm1 8.000 ppm2 4.240 CV 1
ASSI { 289}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 360 and name HN ))
3.400 1.500 1.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.76857E-03 ppm1 7.990 ppm2 4.122 CV 1
ASSI { 291}
(( segid "PAH " and resid 359 and name HB1 ))
(( segid "PAH " and resid 360 and name HN ))
2.800 1.000 1.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.18962E-02 ppm1 7.998 ppm2 3.253 CV 1
ASSI { 292}
(( segid "PAH " and resid 359 and name HB2 ))
(( segid "PAH " and resid 360 and name HN ))
3.900 1.900 1.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.81580E-03 ppm1 8.001 ppm2 3.074 CV 1
ASSI { 294}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 360 and name HN ))
2.200 0.600 0.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.10394E-01 ppm1 7.997 ppm2 1.537 CV 1
ASSI { 297}
(( segid "PAH " and resid 298 and name HB1 ))
(( segid "PAH " and resid 298 and name HN ))
3.400 1.500 1.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.90399E-03 ppm1 8.396 ppm2 2.760 CV 1
OR { 297}
(( segid "PAH " and resid 298 and name HB2 ))
(( segid "PAH " and resid 298 and name HN ))
ASSI { 298}
(( segid "PAH " and resid 297 and name HA ))
(( segid "PAH " and resid 298 and name HN ))
2.800 1.000 1.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.25010E-02 ppm1 8.394 ppm2 4.306 CV 1
ASSI { 301}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HN ))
3.100 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 8.365 ppm2 1.573 CV 1
ASSI { 302}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HN ))
2.800 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.16032E-02 ppm1 8.368 ppm2 1.468 CV 1
ASSI { 306}
(( segid "PAH " and resid 314 and name HB ))
(( segid "PAH " and resid 315 and name HN ))
3.600 1.600 1.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.47562E-03 ppm1 8.361 ppm2 1.778 CV 1
ASSI { 307}
(( segid "PAH " and resid 336 and name HB1 ))
(( segid "PAH " and resid 336 and name HN ))
2.700 0.900 0.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.25356E-02 ppm1 8.343 ppm2 2.252 CV 1
ASSI { 309}
(( segid "PAH " and resid 321 and name HB2 ))
(( segid "PAH " and resid 321 and name HN ))
2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.28348E-02 ppm1 7.724 ppm2 2.166 CV 1
ASSI { 310}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 321 and name HN ))
2.800 1.000 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.25608E-02 ppm1 7.728 ppm2 2.371 CV 1
ASSI { 312}
(( segid "PAH " and resid 322 and name HD2 ))
(( segid "PAH " and resid 321 and name HN ))
3.500 1.500 1.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.16978E-02 ppm1 7.734 ppm2 3.440 CV 1
ASSI { 314}
(( segid "PAH " and resid 319 and name HA ))
(( segid "PAH " and resid 321 and name HN ))
3.500 1.600 1.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.74653E-03 ppm1 7.734 ppm2 4.052 CV 1
ASSI { 315}
(( segid "PAH " and resid 320 and name HA1 ))
(( segid "PAH " and resid 321 and name HN ))
3.600 1.700 1.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.57327E-03 ppm1 7.731 ppm2 4.238 CV 1
ASSI { 322}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 344 and name HN ))
2.300 2.300 3.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.10111E-01 ppm1 8.056 ppm2 4.139 CV 1
ASSI { 324}
(( segid "PAH " and resid 344 and name HG1 ))
(( segid "PAH " and resid 344 and name HN ))
2.700 2.700 3.300 peak 324 spectrum 1 weight 0.10000E+01 volume 0.37798E-02 ppm1 8.054 ppm2 2.362 CV 1
ASSI { 325}
(( segid "PAH " and resid 344 and name HG2 ))
(( segid "PAH " and resid 344 and name HN ))
2.700 0.900 0.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.27781E-02 ppm1 8.060 ppm2 2.252 CV 1
ASSI { 326}
(( segid "PAH " and resid 344 and name HB1 ))
(( segid "PAH " and resid 344 and name HN ))
2.600 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.96699E-02 ppm1 8.058 ppm2 2.062 CV 1
ASSI { 331}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 353 and name HN ))
4.100 2.100 1.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.32443E-03 ppm1 7.563 ppm2 0.905 CV 1
OR { 331}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 353 and name HN ))
ASSI { 332}
( segid "PAH " and resid 352 and name HB% )
(( segid "PAH " and resid 353 and name HN ))
2.800 1.000 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.24632E-02 ppm1 7.555 ppm2 1.365 CV 1
ASSI { 333}
(( segid "PAH " and resid 353 and name HB2 ))
(( segid "PAH " and resid 353 and name HN ))
2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.14867E-02 ppm1 7.556 ppm2 1.536 CV 1
ASSI { 334}
(( segid "PAH " and resid 353 and name HB1 ))
(( segid "PAH " and resid 353 and name HN ))
3.100 1.200 1.200 peak 334 spectrum 1 weight 0.10000E+01 volume 0.22458E-02 ppm1 7.549 ppm2 1.641 CV 1
OR { 334}
(( segid "PAH " and resid 353 and name HG ))
(( segid "PAH " and resid 353 and name HN ))
ASSI { 335}
(( segid "PAH " and resid 351 and name HB2 ))
(( segid "PAH " and resid 353 and name HN ))
3.700 1.700 1.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.44097E-03 ppm1 7.559 ppm2 1.867 CV 1
ASSI { 336}
(( segid "PAH " and resid 352 and name HA ))
(( segid "PAH " and resid 353 and name HN ))
3.000 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.19466E-02 ppm1 7.555 ppm2 4.234 CV 1
ASSI { 337}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 353 and name HN ))
3.000 1.100 1.100 peak 337 spectrum 1 weight 0.10000E+01 volume 0.13198E-02 ppm1 7.553 ppm2 4.658 CV 1
ASSI { 342}
(( segid "PAH " and resid 343 and name HD1 ))
(( segid "PAH " and resid 343 and name HN ))
4.100 2.100 1.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.62366E-03 ppm1 7.789 ppm2 1.669 CV 1
OR { 342}
(( segid "PAH " and resid 343 and name HD2 ))
(( segid "PAH " and resid 343 and name HN ))
ASSI { 343}
(( segid "PAH " and resid 343 and name HB2 ))
(( segid "PAH " and resid 343 and name HN ))
2.100 0.600 0.600 peak 343 spectrum 1 weight 0.10000E+01 volume 0.11686E-01 ppm1 7.791 ppm2 1.913 CV 1
OR { 343}
(( segid "PAH " and resid 343 and name HB1 ))
(( segid "PAH " and resid 343 and name HN ))
ASSI { 349}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 343 and name HN ))
2.500 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.54177E-02 ppm1 7.791 ppm2 1.438 CV 1
ASSI { 350}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HN ))
3.700 1.700 1.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.88513E-03 ppm1 7.789 ppm2 1.529 CV 1
ASSI { 352}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 341 and name HN ))
4.900 3.000 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.15466E-03 ppm1 8.268 ppm2 1.586 CV 1
ASSI { 353}
(( segid "PAH " and resid 340 and name HB1 ))
(( segid "PAH " and resid 341 and name HN ))
2.500 0.800 0.800 peak 353 spectrum 1 weight 0.10000E+01 volume 0.71500E-02 ppm1 8.268 ppm2 1.891 CV 1
ASSI { 354}
(( segid "PAH " and resid 341 and name HB2 ))
(( segid "PAH " and resid 341 and name HN ))
2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.17639E-02 ppm1 8.270 ppm2 2.425 CV 1
ASSI { 355}
(( segid "PAH " and resid 341 and name HB1 ))
(( segid "PAH " and resid 341 and name HN ))
2.700 0.900 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.51027E-02 ppm1 8.267 ppm2 2.718 CV 1
ASSI { 357}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 341 and name HN ))
3.000 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.19214E-02 ppm1 8.275 ppm2 4.048 CV 1
ASSI { 358}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 341 and name HN ))
3.100 1.200 1.200 peak 358 spectrum 1 weight 0.10000E+01 volume 0.13607E-02 ppm1 8.274 ppm2 4.156 CV 1
ASSI { 359}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 341 and name HN ))
2.700 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.28474E-02 ppm1 8.271 ppm2 4.322 CV 1
ASSI { 364}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 359 and name HN ))
2.800 1.000 1.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.23844E-02 ppm1 8.211 ppm2 0.784 CV 1
ASSI { 366}
(( segid "PAH " and resid 358 and name HB ))
(( segid "PAH " and resid 359 and name HN ))
2.400 0.700 0.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.45042E-02 ppm1 8.212 ppm2 2.189 CV 1
ASSI { 367}
(( segid "PAH " and resid 359 and name HB2 ))
(( segid "PAH " and resid 359 and name HN ))
2.300 0.700 0.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.48822E-02 ppm1 8.215 ppm2 3.072 CV 1
ASSI { 368}
(( segid "PAH " and resid 359 and name HB1 ))
(( segid "PAH " and resid 359 and name HN ))
2.700 0.900 0.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.43467E-02 ppm1 8.212 ppm2 3.255 CV 1
ASSI { 369}
(( segid "PAH " and resid 359 and name HA ))
(( segid "PAH " and resid 359 and name HN ))
2.700 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.28159E-02 ppm1 8.213 ppm2 3.870 CV 1
ASSI { 370}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 359 and name HN ))
3.100 1.200 1.200 peak 370 spectrum 1 weight 0.10000E+01 volume 0.16348E-02 ppm1 8.211 ppm2 4.127 CV 1
ASSI { 372}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 359 and name HN ))
3.500 1.500 1.500 peak 372 spectrum 1 weight 0.10000E+01 volume 0.21544E-02 ppm1 8.211 ppm2 0.723 CV 1
ASSI { 374}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 359 and name HN ))
4.000 2.000 2.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.32443E-03 ppm1 8.219 ppm2 3.739 CV 1
ASSI { 375}
(( segid "PAH " and resid 358 and name HA ))
(( segid "PAH " and resid 359 and name HN ))
3.600 1.600 1.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.64256E-03 ppm1 8.212 ppm2 3.399 CV 1
ASSI { 378}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 338 and name HN ))
3.400 1.400 1.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.95756E-03 ppm1 8.114 ppm2 1.322 CV 1
ASSI { 383}
(( segid "PAH " and resid 338 and name HG2 ))
(( segid "PAH " and resid 338 and name HN ))
2.500 0.800 0.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.36223E-02 ppm1 8.104 ppm2 2.383 CV 1
ASSI { 385}
(( segid "PAH " and resid 348 and name HB2 ))
(( segid "PAH " and resid 348 and name HN ))
2.700 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.31813E-02 ppm1 8.119 ppm2 2.746 CV 1
ASSI { 386}
(( segid "PAH " and resid 348 and name HB1 ))
(( segid "PAH " and resid 348 and name HN ))
3.200 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.12473E-02 ppm1 8.123 ppm2 2.864 CV 1
ASSI { 398}
(( segid "PAH " and resid 370 and name HB2 ))
(( segid "PAH " and resid 371 and name HN ))
2.900 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.27592E-02 ppm1 8.992 ppm2 2.117 CV 1
OR { 398}
(( segid "PAH " and resid 370 and name HB1 ))
(( segid "PAH " and resid 371 and name HN ))
ASSI { 399}
(( segid "PAH " and resid 370 and name HG1 ))
(( segid "PAH " and resid 371 and name HN ))
4.000 2.000 2.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.47562E-03 ppm1 8.990 ppm2 2.418 CV 1
OR { 399}
(( segid "PAH " and resid 370 and name HG2 ))
(( segid "PAH " and resid 371 and name HN ))
ASSI { 400}
(( segid "PAH " and resid 371 and name HB2 ))
(( segid "PAH " and resid 371 and name HN ))
2.900 1.100 1.100 peak 400 spectrum 1 weight 0.10000E+01 volume 0.16001E-02 ppm1 8.992 ppm2 2.675 CV 1
ASSI { 401}
(( segid "PAH " and resid 371 and name HB1 ))
(( segid "PAH " and resid 371 and name HN ))
3.200 1.200 1.200 peak 401 spectrum 1 weight 0.10000E+01 volume 0.15371E-02 ppm1 8.993 ppm2 2.874 CV 1
ASSI { 402}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 371 and name HN ))
3.400 1.400 1.400 peak 402 spectrum 1 weight 0.10000E+01 volume 0.90716E-03 ppm1 8.993 ppm2 3.989 CV 1
ASSI { 403}
(( segid "PAH " and resid 371 and name HA ))
(( segid "PAH " and resid 371 and name HN ))
2.900 1.100 1.100 peak 403 spectrum 1 weight 0.10000E+01 volume 0.19938E-02 ppm1 8.993 ppm2 4.410 CV 1
ASSI { 404}
(( segid "PAH " and resid 369 and name HA ))
(( segid "PAH " and resid 371 and name HN ))
3.800 1.800 1.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.68351E-03 ppm1 8.991 ppm2 4.790 CV 1
ASSI { 405}
(( segid "PAH " and resid 372 and name HN ))
(( segid "PAH " and resid 371 and name HN ))
2.700 0.900 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.26175E-02 ppm1 8.991 ppm2 7.751 CV 1
ASSI { 406}
(( segid "PAH " and resid 370 and name HN ))
(( segid "PAH " and resid 371 and name HN ))
2.800 1.000 1.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.18741E-02 ppm1 8.989 ppm2 8.777 CV 1
ASSI { 407}
(( segid "PAH " and resid 334 and name HB ))
(( segid "PAH " and resid 334 and name HN ))
2.900 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.15371E-02 ppm1 8.609 ppm2 4.348 CV 1
ASSI { 408}
(( segid "PAH " and resid 334 and name HA ))
(( segid "PAH " and resid 334 and name HN ))
3.300 1.400 1.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.80003E-03 ppm1 8.608 ppm2 3.851 CV 1
ASSI { 409}
(( segid "PAH " and resid 333 and name HB2 ))
(( segid "PAH " and resid 334 and name HN ))
2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.19812E-02 ppm1 8.613 ppm2 3.265 CV 1
OR { 409}
(( segid "PAH " and resid 333 and name HB1 ))
(( segid "PAH " and resid 334 and name HN ))
ASSI { 410}
( segid "PAH " and resid 334 and name HG2%)
(( segid "PAH " and resid 334 and name HN ))
3.800 1.800 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.90399E-03 ppm1 8.600 ppm2 1.263 CV 1
ASSI { 413}
(( segid "PAH " and resid 333 and name HB2 ))
(( segid "PAH " and resid 333 and name HN ))
2.600 0.800 0.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.37168E-02 ppm1 8.550 ppm2 3.263 CV 1
OR { 413}
(( segid "PAH " and resid 333 and name HB1 ))
(( segid "PAH " and resid 333 and name HN ))
ASSI { 414}
(( segid "PAH " and resid 333 and name HA ))
(( segid "PAH " and resid 333 and name HN ))
3.600 1.600 1.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.57011E-03 ppm1 8.544 ppm2 4.380 CV 1
ASSI { 415}
(( segid "PAH " and resid 332 and name HN ))
(( segid "PAH " and resid 333 and name HN ))
3.600 1.600 1.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.48507E-03 ppm1 8.535 ppm2 7.186 CV 1
ASSI { 416}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 323 and name HN ))
3.900 1.900 1.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.77483E-03 ppm1 9.010 ppm2 1.537 CV 1
OR { 416}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 323 and name HN ))
ASSI { 417}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 323 and name HN ))
3.100 3.100 2.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.73703E-03 ppm1 9.007 ppm2 1.855 CV 1
OR { 417}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 323 and name HN ))
ASSI { 418}
(( segid "PAH " and resid 322 and name HG2 ))
(( segid "PAH " and resid 323 and name HN ))
2.500 0.800 0.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.42207E-02 ppm1 9.014 ppm2 2.078 CV 1
ASSI { 419}
(( segid "PAH " and resid 321 and name HG2 ))
(( segid "PAH " and resid 323 and name HN ))
4.100 2.100 1.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.31813E-03 ppm1 9.013 ppm2 2.368 CV 1
OR { 419}
(( segid "PAH " and resid 321 and name HB1 ))
(( segid "PAH " and resid 323 and name HN ))
ASSI { 421}
(( segid "PAH " and resid 323 and name HB2 ))
(( segid "PAH " and resid 323 and name HN ))
2.600 0.800 0.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.37483E-02 ppm1 9.012 ppm2 2.596 CV 1
ASSI { 422}
(( segid "PAH " and resid 323 and name HB1 ))
(( segid "PAH " and resid 323 and name HN ))
3.000 1.100 1.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.21765E-02 ppm1 9.010 ppm2 2.704 CV 1
ASSI { 423}
(( segid "PAH " and resid 322 and name HD2 ))
(( segid "PAH " and resid 323 and name HN ))
3.500 1.500 1.500 peak 423 spectrum 1 weight 0.10000E+01 volume 0.43152E-03 ppm1 9.011 ppm2 3.436 CV 1
ASSI { 424}
(( segid "PAH " and resid 322 and name HD1 ))
(( segid "PAH " and resid 323 and name HN ))
3.700 1.700 1.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.14520E-02 ppm1 9.015 ppm2 3.748 CV 1
ASSI { 425}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 323 and name HN ))
2.600 0.900 0.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.35278E-02 ppm1 9.012 ppm2 4.382 CV 1
ASSI { 426}
(( segid "PAH " and resid 322 and name HA ))
(( segid "PAH " and resid 323 and name HN ))
3.500 1.500 1.500 peak 426 spectrum 1 weight 0.10000E+01 volume 0.66776E-03 ppm1 9.014 ppm2 4.521 CV 1
ASSI { 427}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 323 and name HN ))
3.600 1.600 1.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.67721E-03 ppm1 9.017 ppm2 4.960 CV 1
ASSI { 428}
(( segid "PAH " and resid 324 and name HN ))
(( segid "PAH " and resid 323 and name HN ))
2.500 0.800 0.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.35278E-02 ppm1 9.017 ppm2 7.865 CV 1
ASSI { 429}
(( segid "PAH " and resid 322 and name HG1 ))
(( segid "PAH " and resid 323 and name HN ))
2.900 1.100 1.100 peak 429 spectrum 1 weight 0.10000E+01 volume 0.36853E-02 ppm1 9.013 ppm2 2.132 CV 1
OR { 429}
(( segid "PAH " and resid 322 and name HB2 ))
(( segid "PAH " and resid 323 and name HN ))
ASSI { 430}
(( segid "PAH " and resid 355 and name HN ))
(( segid "PAH " and resid 356 and name HN ))
3.100 1.200 1.200 peak 430 spectrum 1 weight 0.10000E+01 volume 0.10898E-02 ppm1 8.361 ppm2 9.233 CV 1
ASSI { 431}
(( segid "PAH " and resid 357 and name HN ))
(( segid "PAH " and resid 356 and name HN ))
2.700 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.23655E-02 ppm1 8.359 ppm2 7.738 CV 1
ASSI { 432}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 356 and name HN ))
2.800 1.000 1.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.24506E-02 ppm1 8.361 ppm2 4.116 CV 1
ASSI { 433}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 356 and name HN ))
3.300 1.400 1.400 peak 433 spectrum 1 weight 0.10000E+01 volume 0.96699E-03 ppm1 8.358 ppm2 3.734 CV 1
ASSI { 435}
(( segid "PAH " and resid 355 and name HB1 ))
(( segid "PAH " and resid 356 and name HN ))
3.100 1.200 1.200 peak 435 spectrum 1 weight 0.10000E+01 volume 0.20064E-02 ppm1 8.359 ppm2 2.259 CV 1
ASSI { 436}
(( segid "PAH " and resid 355 and name HB2 ))
(( segid "PAH " and resid 356 and name HN ))
2.600 0.900 0.900 peak 436 spectrum 1 weight 0.10000E+01 volume 0.29388E-02 ppm1 8.358 ppm2 1.995 CV 1
ASSI { 438}
(( segid "PAH " and resid 356 and name HB1 ))
(( segid "PAH " and resid 356 and name HN ))
2.300 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.84099E-02 ppm1 8.359 ppm2 2.109 CV 1
OR { 438}
(( segid "PAH " and resid 356 and name HB2 ))
(( segid "PAH " and resid 356 and name HN ))
ASSI { 439}
(( segid "PAH " and resid 354 and name HB ))
(( segid "PAH " and resid 356 and name HN ))
2.800 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.27435E-02 ppm1 8.361 ppm2 4.749 CV 1
ASSI { 442}
(( segid "PAH " and resid 378 and name HB2 ))
(( segid "PAH " and resid 378 and name HN ))
2.600 0.800 0.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.40632E-02 ppm1 7.461 ppm2 1.752 CV 1
OR { 442}
(( segid "PAH " and resid 378 and name HB1 ))
(( segid "PAH " and resid 378 and name HN ))
ASSI { 443}
(( segid "PAH " and resid 378 and name HG2 ))
(( segid "PAH " and resid 378 and name HN ))
2.700 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.37483E-02 ppm1 7.463 ppm2 2.141 CV 1
ASSI { 444}
(( segid "PAH " and resid 377 and name HA2 ))
(( segid "PAH " and resid 378 and name HN ))
3.800 1.800 1.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.63311E-03 ppm1 7.469 ppm2 3.806 CV 1
ASSI { 445}
(( segid "PAH " and resid 378 and name HA ))
(( segid "PAH " and resid 378 and name HN ))
2.800 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.24254E-02 ppm1 7.464 ppm2 4.000 CV 1
ASSI { 446}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 378 and name HN ))
3.800 1.800 1.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.54177E-03 ppm1 7.467 ppm2 7.127 CV 1
ASSI { 450}
(( segid "PAH " and resid 362 and name HN ))
(( segid "PAH " and resid 361 and name HN ))
2.600 0.800 0.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.31813E-02 ppm1 8.079 ppm2 8.343 CV 1
ASSI { 451}
(( segid "PAH " and resid 357 and name HA ))
(( segid "PAH " and resid 361 and name HN ))
4.300 2.300 1.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.22426E-03 ppm1 8.078 ppm2 4.244 CV 1
ASSI { 453}
(( segid "PAH " and resid 358 and name HA ))
(( segid "PAH " and resid 361 and name HN ))
3.800 1.800 1.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.40002E-03 ppm1 8.075 ppm2 3.413 CV 1
ASSI { 454}
(( segid "PAH " and resid 361 and name HG1 ))
(( segid "PAH " and resid 361 and name HN ))
2.600 0.800 0.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.30490E-02 ppm1 8.077 ppm2 2.667 CV 1
ASSI { 455}
(( segid "PAH " and resid 361 and name HG2 ))
(( segid "PAH " and resid 361 and name HN ))
3.100 1.200 1.200 peak 455 spectrum 1 weight 0.10000E+01 volume 0.19780E-02 ppm1 8.075 ppm2 2.326 CV 1
ASSI { 456}
(( segid "PAH " and resid 361 and name HB1 ))
(( segid "PAH " and resid 361 and name HN ))
2.900 1.000 1.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.57011E-02 ppm1 8.078 ppm2 2.057 CV 1
ASSI { 457}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 361 and name HN ))
2.500 0.800 0.800 peak 457 spectrum 1 weight 0.10000E+01 volume 0.44412E-02 ppm1 8.079 ppm2 1.539 CV 1
ASSI { 459}
( segid "PAH " and resid 362 and name HG1%)
(( segid "PAH " and resid 361 and name HN ))
4.400 2.400 1.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.40947E-03 ppm1 8.083 ppm2 0.417 CV 1
ASSI { 461}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 329 and name HN ))
3.800 1.800 1.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.47247E-03 ppm1 7.898 ppm2 6.891 CV 1
ASSI { 463}
(( segid "PAH " and resid 328 and name HB2 ))
(( segid "PAH " and resid 329 and name HN ))
4.900 3.000 1.100 peak 463 spectrum 1 weight 0.10000E+01 volume 0.33703E-03 ppm1 7.903 ppm2 2.998 CV 1
ASSI { 464}
(( segid "PAH " and resid 329 and name HB1 ))
(( segid "PAH " and resid 329 and name HN ))
3.900 1.900 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.84099E-03 ppm1 7.909 ppm2 1.791 CV 1
ASSI { 465}
(( segid "PAH " and resid 329 and name HG ))
(( segid "PAH " and resid 329 and name HN ))
2.800 0.900 0.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.22930E-02 ppm1 7.903 ppm2 1.360 CV 1
ASSI { 466}
(( segid "PAH " and resid 329 and name HB2 ))
(( segid "PAH " and resid 329 and name HN ))
3.300 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.53547E-03 ppm1 7.911 ppm2 1.147 CV 1
ASSI { 467}
( segid "PAH " and resid 329 and name HD1%)
(( segid "PAH " and resid 329 and name HN ))
3.600 1.600 1.600 peak 467 spectrum 1 weight 0.10000E+01 volume 0.74963E-03 ppm1 7.905 ppm2 0.731 CV 1
ASSI { 468}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 329 and name HN ))
3.600 1.600 1.600 peak 468 spectrum 1 weight 0.10000E+01 volume 0.68665E-03 ppm1 7.899 ppm2 0.548 CV 1
ASSI { 469}
(( segid "PAH " and resid 332 and name HA ))
(( segid "PAH " and resid 332 and name HN ))
3.500 1.500 1.500 peak 469 spectrum 1 weight 0.10000E+01 volume 0.56381E-03 ppm1 7.179 ppm2 3.900 CV 1
ASSI { 471}
(( segid "PAH " and resid 332 and name HB2 ))
(( segid "PAH " and resid 332 and name HN ))
3.000 1.100 1.100 peak 471 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 7.179 ppm2 1.244 CV 1
ASSI { 472}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 332 and name HN ))
3.500 1.600 1.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.62681E-03 ppm1 7.186 ppm2 0.552 CV 1
OR { 472}
( segid "PAH " and resid 332 and name HD2%)
(( segid "PAH " and resid 332 and name HN ))
ASSI { 474}
(( segid "PAH " and resid 311 and name HB ))
(( segid "PAH " and resid 312 and name HN ))
2.900 1.100 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.14867E-02 ppm1 8.169 ppm2 2.212 CV 1
ASSI { 475}
(( segid "PAH " and resid 312 and name HB2 ))
(( segid "PAH " and resid 312 and name HN ))
2.900 1.000 1.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.19592E-02 ppm1 8.183 ppm2 2.761 CV 1
ASSI { 476}
(( segid "PAH " and resid 312 and name HB1 ))
(( segid "PAH " and resid 312 and name HN ))
2.600 0.800 0.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.34963E-02 ppm1 8.178 ppm2 2.917 CV 1
ASSI { 477}
(( segid "PAH " and resid 312 and name HA ))
(( segid "PAH " and resid 312 and name HN ))
3.100 1.200 1.200 peak 477 spectrum 1 weight 0.10000E+01 volume 0.13607E-02 ppm1 8.171 ppm2 4.399 CV 1
ASSI { 479}
(( segid "PAH " and resid 313 and name HN ))
(( segid "PAH " and resid 312 and name HN ))
2.900 1.100 1.100 peak 479 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 8.170 ppm2 7.963 CV 1
ASSI { 480}
(( segid "PAH " and resid 311 and name HN ))
(( segid "PAH " and resid 312 and name HN ))
3.600 1.600 1.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.43782E-03 ppm1 8.181 ppm2 8.635 CV 1
ASSI { 481}
( segid "PAH " and resid 311 and name HG2%)
(( segid "PAH " and resid 312 and name HN ))
4.600 2.700 1.400 peak 481 spectrum 1 weight 0.10000E+01 volume 0.33073E-03 ppm1 8.179 ppm2 1.142 CV 1
ASSI { 484}
(( segid "PAH " and resid 380 and name HG ))
(( segid "PAH " and resid 380 and name HN ))
3.300 1.300 1.300 peak 484 spectrum 1 weight 0.10000E+01 volume 0.12126E-02 ppm1 6.741 ppm2 1.518 CV 1
OR { 484}
(( segid "PAH " and resid 380 and name HB1 ))
(( segid "PAH " and resid 380 and name HN ))
ASSI { 485}
(( segid "PAH " and resid 380 and name HB2 ))
(( segid "PAH " and resid 380 and name HN ))
3.600 1.600 1.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.41577E-03 ppm1 6.748 ppm2 1.365 CV 1
ASSI { 487}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 380 and name HN ))
4.400 2.400 1.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.29262E-03 ppm1 6.746 ppm2 7.117 CV 1
ASSI { 489}
( segid "PAH " and resid 379 and name HD% )
(( segid "PAH " and resid 379 and name HN ))
3.300 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.74020E-03 ppm1 7.680 ppm2 7.118 CV 1
ASSI { 490}
(( segid "PAH " and resid 380 and name HN ))
(( segid "PAH " and resid 379 and name HN ))
3.300 1.400 1.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.84099E-03 ppm1 7.695 ppm2 6.736 CV 1
ASSI { 491}
(( segid "PAH " and resid 379 and name HA ))
(( segid "PAH " and resid 379 and name HN ))
3.400 1.400 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.81896E-03 ppm1 7.685 ppm2 4.212 CV 1
ASSI { 492}
(( segid "PAH " and resid 379 and name HB1 ))
(( segid "PAH " and resid 379 and name HN ))
4.300 2.300 1.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.55121E-03 ppm1 7.683 ppm2 3.185 CV 1
ASSI { 493}
(( segid "PAH " and resid 379 and name HB2 ))
(( segid "PAH " and resid 379 and name HN ))
4.000 2.000 2.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.19497E-03 ppm1 7.676 ppm2 2.442 CV 1
ASSI { 494}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 379 and name HN ))
4.000 2.000 2.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.16978E-03 ppm1 7.700 ppm2 0.788 CV 1
OR { 494}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 379 and name HN ))
ASSI { 496}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 368 and name HN ))
3.200 1.300 1.300 peak 496 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 8.885 ppm2 4.034 CV 1
ASSI { 498}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 368 and name HN ))
4.200 2.200 1.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.32128E-03 ppm1 8.888 ppm2 1.476 CV 1
OR { 498}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 368 and name HN ))
ASSI { 499}
(( segid "PAH " and resid 368 and name HA ))
(( segid "PAH " and resid 368 and name HN ))
3.100 1.200 1.200 peak 499 spectrum 1 weight 0.10000E+01 volume 0.14584E-02 ppm1 8.888 ppm2 4.820 CV 1
ASSI { 502}
(( segid "PAH " and resid 354 and name HA ))
(( segid "PAH " and resid 356 and name HN ))
4.200 2.200 1.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.47247E-03 ppm1 8.356 ppm2 4.656 CV 1
ASSI { 503}
(( segid "PAH " and resid 373 and name HN ))
(( segid "PAH " and resid 374 and name HN ))
3.000 1.200 1.200 peak 503 spectrum 1 weight 0.10000E+01 volume 0.13008E-02 ppm1 8.596 ppm2 8.139 CV 1
ASSI { 504}
(( segid "PAH " and resid 375 and name HN ))
(( segid "PAH " and resid 374 and name HN ))
3.000 1.100 1.100 peak 504 spectrum 1 weight 0.10000E+01 volume 0.15528E-02 ppm1 8.603 ppm2 7.868 CV 1
ASSI { 506}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 374 and name HN ))
2.900 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.20064E-02 ppm1 8.600 ppm2 4.350 CV 1
ASSI { 507}
(( segid "PAH " and resid 374 and name HB1 ))
(( segid "PAH " and resid 374 and name HN ))
2.600 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.38113E-02 ppm1 8.599 ppm2 4.072 CV 1
OR { 507}
(( segid "PAH " and resid 374 and name HB2 ))
(( segid "PAH " and resid 374 and name HN ))
ASSI { 509}
(( segid "PAH " and resid 373 and name HB2 ))
(( segid "PAH " and resid 374 and name HN ))
3.900 1.900 1.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.31813E-03 ppm1 8.599 ppm2 1.704 CV 1
ASSI { 513}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HN ))
2.500 0.800 0.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.51657E-02 ppm1 7.122 ppm2 4.034 CV 1
ASSI { 515}
(( segid "PAH " and resid 363 and name HA ))
(( segid "PAH " and resid 364 and name HN ))
3.200 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.10332E-02 ppm1 7.126 ppm2 3.797 CV 1
ASSI { 516}
(( segid "PAH " and resid 364 and name HD2 ))
(( segid "PAH " and resid 364 and name HN ))
4.900 3.000 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.17765E-03 ppm1 7.128 ppm2 3.197 CV 1
OR { 516}
(( segid "PAH " and resid 364 and name HD1 ))
(( segid "PAH " and resid 364 and name HN ))
ASSI { 517}
(( segid "PAH " and resid 362 and name HA ))
(( segid "PAH " and resid 364 and name HN ))
4.300 2.300 1.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.24663E-03 ppm1 7.136 ppm2 2.932 CV 1
ASSI { 518}
(( segid "PAH " and resid 364 and name HB2 ))
(( segid "PAH " and resid 364 and name HN ))
2.100 0.600 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.12284E-01 ppm1 7.123 ppm2 1.827 CV 1
OR { 518}
(( segid "PAH " and resid 364 and name HB1 ))
(( segid "PAH " and resid 364 and name HN ))
ASSI { 519}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HN ))
3.300 1.400 1.400 peak 519 spectrum 1 weight 0.10000E+01 volume 0.17292E-02 ppm1 7.122 ppm2 1.569 CV 1
ASSI { 520}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 364 and name HN ))
2.500 0.800 0.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.43152E-02 ppm1 7.123 ppm2 1.183 CV 1
ASSI { 524}
(( segid "PAH " and resid 365 and name HN ))
(( segid "PAH " and resid 366 and name HN ))
3.200 1.300 1.300 peak 524 spectrum 1 weight 0.10000E+01 volume 0.10048E-02 ppm1 8.378 ppm2 7.425 CV 1
ASSI { 525}
(( segid "PAH " and resid 367 and name HN ))
(( segid "PAH " and resid 366 and name HN ))
3.600 1.600 1.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 8.390 ppm2 7.020 CV 1
ASSI { 526}
(( segid "PAH " and resid 366 and name HA ))
(( segid "PAH " and resid 366 and name HN ))
3.500 1.600 1.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.58901E-03 ppm1 8.371 ppm2 4.983 CV 1
ASSI { 528}
(( segid "PAH " and resid 366 and name HB1 ))
(( segid "PAH " and resid 366 and name HN ))
3.800 1.800 1.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.77800E-03 ppm1 8.377 ppm2 3.772 CV 1
ASSI { 529}
(( segid "PAH " and resid 366 and name HB2 ))
(( segid "PAH " and resid 366 and name HN ))
2.900 1.100 1.100 peak 529 spectrum 1 weight 0.10000E+01 volume 0.14142E-02 ppm1 8.375 ppm2 2.905 CV 1
ASSI { 530}
(( segid "PAH " and resid 365 and name HB2 ))
(( segid "PAH " and resid 366 and name HN ))
3.700 1.700 1.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.73077E-03 ppm1 8.377 ppm2 1.299 CV 1
ASSI { 531}
(( segid "PAH " and resid 365 and name HB1 ))
(( segid "PAH " and resid 366 and name HN ))
4.400 2.400 1.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.13292E-03 ppm1 8.373 ppm2 1.435 CV 1
ASSI { 534}
(( segid "PAH " and resid 316 and name HA ))
(( segid "PAH " and resid 316 and name HN ))
2.700 0.900 0.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.30458E-02 ppm1 7.743 ppm2 4.348 CV 1
ASSI { 535}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 316 and name HN ))
4.200 2.200 1.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.20536E-03 ppm1 7.760 ppm2 3.978 CV 1
ASSI { 537}
(( segid "PAH " and resid 316 and name HB1 ))
(( segid "PAH " and resid 316 and name HN ))
2.600 0.900 0.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.40947E-02 ppm1 7.751 ppm2 2.754 CV 1
ASSI { 538}
(( segid "PAH " and resid 316 and name HB2 ))
(( segid "PAH " and resid 316 and name HN ))
2.600 0.800 0.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.34963E-02 ppm1 7.751 ppm2 2.662 CV 1
ASSI { 539}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 316 and name HN ))
2.800 1.000 1.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.17828E-02 ppm1 7.749 ppm2 1.583 CV 1
ASSI { 540}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 316 and name HN ))
3.400 1.400 1.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.19371E-02 ppm1 7.753 ppm2 1.485 CV 1
ASSI { 541}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 354 and name HN ))
2.100 0.500 0.500 peak 541 spectrum 1 weight 0.10000E+01 volume 0.10962E-01 ppm1 8.180 ppm2 4.654 CV 1
ASSI { 542}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 354 and name HN ))
2.500 0.800 0.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.42837E-02 ppm1 8.174 ppm2 2.314 CV 1
ASSI { 543}
(( segid "PAH " and resid 357 and name HB2 ))
(( segid "PAH " and resid 354 and name HN ))
2.800 1.000 1.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.16978E-02 ppm1 8.177 ppm2 2.068 CV 1
ASSI { 544}
(( segid "PAH " and resid 353 and name HG ))
(( segid "PAH " and resid 354 and name HN ))
3.400 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.12095E-02 ppm1 8.183 ppm2 1.647 CV 1
OR { 544}
(( segid "PAH " and resid 353 and name HB1 ))
(( segid "PAH " and resid 354 and name HN ))
ASSI { 545}
(( segid "PAH " and resid 353 and name HB2 ))
(( segid "PAH " and resid 354 and name HN ))
3.900 1.900 1.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.71500E-03 ppm1 8.176 ppm2 1.536 CV 1
ASSI { 546}
( segid "PAH " and resid 354 and name HG2%)
(( segid "PAH " and resid 354 and name HN ))
2.600 0.800 0.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.38113E-02 ppm1 8.184 ppm2 1.328 CV 1
ASSI { 547}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 354 and name HN ))
3.300 1.400 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.21922E-02 ppm1 8.178 ppm2 0.909 CV 1
OR { 547}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 354 and name HN ))
ASSI { 549}
(( segid "PAH " and resid 354 and name HB ))
(( segid "PAH " and resid 354 and name HN ))
2.800 1.000 1.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.30962E-02 ppm1 8.183 ppm2 4.745 CV 1
ASSI { 563}
(( segid "PAH " and resid 318 and name HA ))
(( segid "PAH " and resid 318 and name HN ))
3.200 1.300 1.300 peak 563 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 7.468 ppm2 4.890 CV 1
ASSI { 564}
(( segid "PAH " and resid 318 and name HB1 ))
(( segid "PAH " and resid 318 and name HN ))
3.900 1.900 1.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.12221E-02 ppm1 7.461 ppm2 3.867 CV 1
ASSI { 565}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 318 and name HN ))
2.900 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.13670E-02 ppm1 7.460 ppm2 2.453 CV 1
ASSI { 566}
(( segid "PAH " and resid 317 and name HB1 ))
(( segid "PAH " and resid 318 and name HN ))
3.500 1.500 1.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.56697E-03 ppm1 7.461 ppm2 1.585 CV 1
ASSI { 567}
(( segid "PAH " and resid 317 and name HB2 ))
(( segid "PAH " and resid 318 and name HN ))
3.400 1.400 1.400 peak 567 spectrum 1 weight 0.10000E+01 volume 0.70240E-03 ppm1 7.460 ppm2 1.051 CV 1
ASSI { 575}
(( segid "PAH " and resid 325 and name HB1 ))
(( segid "PAH " and resid 325 and name HN ))
3.000 1.100 1.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.13355E-02 ppm1 6.785 ppm2 3.109 CV 1
OR { 575}
(( segid "PAH " and resid 325 and name HB2 ))
(( segid "PAH " and resid 325 and name HN ))
ASSI { 577}
( segid "PAH " and resid 311 and name HG2%)
(( segid "PAH " and resid 311 and name HN ))
3.700 1.700 1.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.34648E-03 ppm1 8.641 ppm2 1.143 CV 1
ASSI { 578}
(( segid "PAH " and resid 311 and name HB ))
(( segid "PAH " and resid 311 and name HN ))
3.800 1.800 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.31214E-03 ppm1 8.651 ppm2 2.216 CV 1
ASSI { 579}
(( segid "PAH " and resid 326 and name HB1 ))
(( segid "PAH " and resid 326 and name HN ))
2.600 0.900 0.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.28222E-02 ppm1 8.270 ppm2 1.849 CV 1
OR { 579}
(( segid "PAH " and resid 326 and name HB2 ))
(( segid "PAH " and resid 326 and name HN ))
ASSI { 583}
(( segid "PAH " and resid 295 and name HB2 ))
(( segid "PAH " and resid 296 and name HN ))
3.800 1.800 1.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.50397E-03 ppm1 8.416 ppm2 4.014 CV 1
OR { 583}
(( segid "PAH " and resid 295 and name HB1 ))
(( segid "PAH " and resid 296 and name HN ))
ASSI { 585}
( segid "PAH " and resid 334 and name HG2%)
(( segid "PAH " and resid 335 and name HN ))
4.200 2.200 1.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.35593E-03 ppm1 8.164 ppm2 1.262 CV 1
ASSI { 588}
(( segid "PAH " and resid 330 and name HN ))
(( segid "PAH " and resid 331 and name HN ))
3.300 1.300 1.300 peak 588 spectrum 1 weight 0.10000E+01 volume 0.74653E-03 ppm1 7.841 ppm2 8.088 CV 1
ASSI { 597}
(( segid "PAH " and resid 373 and name HN ))
(( segid "PAH " and resid 372 and name HN ))
2.700 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.22742E-02 ppm1 7.749 ppm2 8.140 CV 1
ASSI { 599}
(( segid "PAH " and resid 341 and name HN ))
(( segid "PAH " and resid 342 and name HN ))
2.800 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.22804E-02 ppm1 7.936 ppm2 8.270 CV 1
ASSI { 603}
(( segid "PAH " and resid 358 and name HN ))
(( segid "PAH " and resid 357 and name HN ))
2.400 0.700 0.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.47247E-02 ppm1 7.743 ppm2 8.217 CV 1
ASSI { 604}
(( segid "PAH " and resid 348 and name HN ))
(( segid "PAH " and resid 349 and name HN ))
2.600 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.35278E-02 ppm1 7.937 ppm2 8.114 CV 1
ASSI { 606}
(( segid "PAH " and resid 326 and name HN ))
(( segid "PAH " and resid 327 and name HN ))
2.700 0.900 0.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.26773E-02 ppm1 7.694 ppm2 8.259 CV 1
ASSI { 607}
(( segid "PAH " and resid 328 and name HN ))
(( segid "PAH " and resid 327 and name HN ))
2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.25828E-02 ppm1 7.698 ppm2 8.000 CV 1
ASSI { 608}
(( segid "PAH " and resid 379 and name HN ))
(( segid "PAH " and resid 378 and name HN ))
2.800 1.000 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.20348E-02 ppm1 7.462 ppm2 7.685 CV 1
ASSI { 609}
(( segid "PAH " and resid 377 and name HN ))
(( segid "PAH " and resid 378 and name HN ))
3.400 1.400 1.400 peak 609 spectrum 1 weight 0.10000E+01 volume 0.67406E-03 ppm1 7.461 ppm2 7.804 CV 1
ASSI { 610}
(( segid "PAH " and resid 330 and name HN ))
(( segid "PAH " and resid 329 and name HN ))
2.400 0.700 0.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.49767E-02 ppm1 7.899 ppm2 8.045 CV 1
ASSI { 612}
(( segid "PAH " and resid 368 and name HN ))
(( segid "PAH " and resid 367 and name HN ))
5.100 3.300 0.900 peak 612 spectrum 1 weight 0.10000E+01 volume 0.62051E-04 ppm1 7.026 ppm2 8.891 CV 1
ASSI { 614}
(( segid "PAH " and resid 320 and name HN ))
(( segid "PAH " and resid 321 and name HN ))
2.900 1.000 1.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.18174E-02 ppm1 7.715 ppm2 8.862 CV 1
ASSI { 616}
(( segid "PAH " and resid 320 and name HN ))
(( segid "PAH " and resid 319 and name HN ))
3.400 1.400 1.400 peak 616 spectrum 1 weight 0.10000E+01 volume 0.69614E-03 ppm1 7.172 ppm2 8.877 CV 1
ASSI { 617}
(( segid "PAH " and resid 318 and name HN ))
(( segid "PAH " and resid 319 and name HN ))
2.700 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.27498E-02 ppm1 7.174 ppm2 7.461 CV 1
ASSI { 620}
(( segid "PAH " and resid 344 and name HN ))
(( segid "PAH " and resid 343 and name HN ))
2.600 0.900 0.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.29324E-02 ppm1 7.791 ppm2 8.051 CV 1
ASSI { 621}
(( segid "PAH " and resid 365 and name HN ))
(( segid "PAH " and resid 364 and name HN ))
2.500 0.800 0.800 peak 621 spectrum 1 weight 0.10000E+01 volume 0.38428E-02 ppm1 7.123 ppm2 7.430 CV 1
ASSI { 622}
(( segid "PAH " and resid 363 and name HN ))
(( segid "PAH " and resid 364 and name HN ))
2.700 0.900 0.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.27309E-02 ppm1 7.120 ppm2 8.736 CV 1
ASSI { 623}
(( segid "PAH " and resid 317 and name HN ))
(( segid "PAH " and resid 316 and name HN ))
2.900 1.000 1.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.17072E-02 ppm1 7.752 ppm2 8.224 CV 1
ASSI { 624}
(( segid "PAH " and resid 315 and name HN ))
(( segid "PAH " and resid 316 and name HN ))
2.900 1.100 1.100 peak 624 spectrum 1 weight 0.10000E+01 volume 0.15088E-02 ppm1 7.754 ppm2 8.355 CV 1
ASSI { 625}
(( segid "PAH " and resid 318 and name HN ))
(( segid "PAH " and resid 316 and name HN ))
4.100 2.100 1.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.31498E-03 ppm1 7.741 ppm2 7.481 CV 1
ASSI { 627}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 369 and name HN ))
2.900 1.100 1.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.39372E-02 ppm1 8.100 ppm2 1.905 CV 1
ASSI { 631}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 336 and name HN ))
3.700 1.700 1.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.47247E-03 ppm1 8.341 ppm2 3.836 CV 1
ASSI { 633}
(( segid "PAH " and resid 335 and name HB1 ))
(( segid "PAH " and resid 336 and name HN ))
3.700 1.700 1.700 peak 633 spectrum 1 weight 0.10000E+01 volume 0.31813E-03 ppm1 8.340 ppm2 3.192 CV 1
ASSI { 635}
( segid "PAH " and resid 376 and name HD% )
(( segid "PAH " and resid 376 and name HN ))
4.000 2.000 2.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.82840E-03 ppm1 7.910 ppm2 7.408 CV 1
ASSI { 636}
(( segid "PAH " and resid 317 and name HN ))
(( segid "PAH " and resid 318 and name HN ))
3.000 1.100 1.100 peak 636 spectrum 1 weight 0.10000E+01 volume 0.14930E-02 ppm1 7.461 ppm2 8.237 CV 1
ASSI { 637}
(( segid "PAH " and resid 343 and name HN ))
(( segid "PAH " and resid 342 and name HN ))
2.100 0.600 0.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.12095E-01 ppm1 7.937 ppm2 7.788 CV 1
ASSI { 638}
(( segid "PAH " and resid 332 and name HB2 ))
(( segid "PAH " and resid 333 and name HN ))
3.000 1.100 1.100 peak 638 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 8.536 ppm2 1.225 CV 1
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