NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
11841 |
1s5r   |
4635 | cing | 1-original | 5 | XPLOR/CNS | distance | NOE | ambi |
assi { 1 ncphsfnoeb.xpk }
(resid 381 and name HB# and segid PAH )
(resid 377 and name HG# and segid SID )
2.50 2.50 2.50
assi { 2 ncphsfnoeb.xpk }
(resid 381 and name HB# and segid PAH )
(resid 377 and name HB# and segid SID )
2.50 2.50 2.50
assi { 3 ncphsfnoeb.xpk }
(resid 381 and name HB# and segid PAH )
(resid 376 and name HB# and segid SID )
2.00 2.00 2.00
assi { 4 ncphsfnoeb.xpk }
(resid 381 and name HB# and segid PAH )
((resid 373 and name HA and segid SID )
or (resid 374 and name HA and segid SID ))
2.50 2.50 2.50
assi { 5 ncphsfnoeb.xpk }
(resid 381 and name HB# and segid PAH )
(resid 377 and name HA and segid SID )
2.00 2.00 2.00
assi { 6 ncphsfnoeb.xpk }
(resid 381 and name HB# and segid PAH )
(resid 377 and name HG# and segid SID )
2.50 2.50 2.50
assi { 10 ncphsfnoeb.xpk }
(resid 311 and name HB and segid PAH )
(resid 367 and name HG* and segid SID )
2.50 2.50 2.50
assi { 11 ncphsfnoeb.xpk }
(resid 311 and name HB and segid PAH )
(resid 366 and name HB# and segid SID )
2.50 2.50 2.50
assi { 12 ncphsfnoeb.xpk }
(resid 311 and name HB and segid PAH )
((resid 359 and name HD# and segid SID )
or (resid 359 and name HE# and segid SID ))
2.00 2.00 2.00
assi { 13 ncphsfnoeb.xpk }
(resid 312 and name HA and segid PAH )
((resid 359 and name HD# and segid SID )
or (resid 359 and name HE# and segid SID ))
2.00 2.00 2.00
assi { 14 ncphsfnoeb.xpk }
(resid 380 and name HA and segid PAH )
((resid 373 and name HE# and segid SID )
or (resid 374 and name HB# and segid SID ))
2.50 2.50 2.50
assi { 15 ncphsfnoeb.xpk }
(resid 336 and name HB# and segid PAH )
(resid 369 and name HG* and segid SID )
2.00 2.00 2.00
assi { 16 ncphsfnoeb.xpk }
(resid 336 and name HB# and segid PAH )
(resid 369 and name HG* and segid SID )
2.00 2.00 2.00
assi { 17 ncphsfnoeb.xpk }
(resid 381 and name HG# and segid PAH )
((resid 373 and name HE# and segid SID )
or (resid 377 and name HG# and segid SID ))
2.50 2.50 2.50
assi { 18 ncphsfnoeb.xpk }
(resid 381 and name HG# and segid PAH )
(resid 376 and name HB# and segid SID )
2.00 2.00 2.00
assi { 19 ncphsfnoeb.xpk }
(resid 381 and name HG# and segid PAH )
(resid 376 and name HG# and segid SID )
2.00 2.00 2.00
assi { 20 ncphsfnoeb.xpk }
(resid 381 and name HG# and segid PAH )
(resid 373 and name HA and segid SID )
2.00 2.00 2.00
assi { 21 ncphsfnoeb.xpk }
(resid 381 and name HG# and segid PAH )
(resid 377 and name HA and segid SID )
2.00 2.00 2.00
assi { 22 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 370 and name HD* and segid SID )
2.00 2.00 2.00
assi { 23 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 370 and name HD* and segid SID )
2.00 2.00 2.00
assi { 24 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 369 and name HG* and segid SID )
2.00 2.00 2.00
assi { 25 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 366 and name HB# and segid SID )
or (resid 373 and name HE# and segid SID ))
2.00 2.00 2.00
assi { 26 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 369 and name HB and segid SID )
2.00 2.00 2.00
assi { 27 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 366 and name HA and segid SID )
or (resid 370 and name HA and segid SID ))
2.00 2.00 2.00
assi { 28 ncphsfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 366 and name HB# and segid SID )
2.50 2.50 2.50
assi { 29 ncphsfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 362 and name HB# and segid SID )
2.00 2.00 2.00
assi { 30 ncphsfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 362 and name HG# and segid SID )
2.00 2.00 2.00
assi { 31 ncphsfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 362 and name HA and segid SID )
2.00 2.00 2.00
assi { 32 ncphsfnoeb.xpk }
(resid 381 and name HD# and segid PAH )
((resid 373 and name HE# and segid SID )
or (resid 374 and name HB# and segid SID ))
2.00 2.00 2.00
assi { 33 ncphsfnoeb.xpk }
(resid 381 and name HD# and segid PAH )
((resid 373 and name HE# and segid SID )
or (resid 374 and name HB# and segid SID ))
2.50 2.50 2.50
assi { 34 ncphsfnoeb.xpk }
(resid 311 and name HG* and segid PAH )
(resid 370 and name HD* and segid SID )
2.00 2.00 2.00
assi { 35 ncphsfnoeb.xpk }
(resid 311 and name HG* and segid PAH )
(resid 367 and name HG* and segid SID )
2.00 2.00 2.00
assi { 36 ncphsfnoeb.xpk }
(resid 311 and name HG* and segid PAH )
(resid 366 and name HB# and segid SID )
2.00 2.00 2.00
assi { 37 ncphsfnoeb.xpk }
(resid 311 and name HG* and segid PAH )
(resid 367 and name HA and segid SID )
2.50 2.50 2.50
assi { 38 ncphsfnoeb.xpk }
(resid 311 and name HG* and segid PAH )
((resid 359 and name HD# and segid SID )
or (resid 359 and name HE# and segid SID ))
2.00 2.00 2.00
assi { 39 ncphsfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
(resid 373 and name HE# and segid SID )
2.00 2.00 2.00
assi { 40 ncphsfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
((resid 373 and name HB# and segid SID )
or (resid 373 and name HG# and segid SID ))
3.00 3.00 3.00
assi { 41 ncphsfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
((resid 373 and name HB# and segid SID )
or (resid 373 and name HG# and segid SID ))
2.50 2.50 2.50
assi { 42 ncphsfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
(resid 373 and name HE# and segid SID )
2.50 2.50 2.50
assi { 43 ncphsfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
(resid 373 and name HA and segid SID )
2.50 2.50 2.50
assi { 44 ncphsfnoeb.xpk }
(resid 358 and name HG2# and segid PAH )
(resid 373 and name HE# and segid SID )
2.00 2.00 2.00
assi { 45 ncphsfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 366 and name HB# and segid SID )
1.50 1.50 1.50
assi { 46 ncphsfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 362 and name HB# and segid SID )
2.00 2.00 2.00
assi { 47 ncphsfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 362 and name HG# and segid SID )
2.50 2.50 2.50
assi { 48 ncphsfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 366 and name HA and segid SID )
2.50 2.50 2.50
assi { 49 ncphsfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 362 and name HA and segid SID )
2.00 2.00 2.00
assi { 50 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 366 and name HA and segid SID )
or (resid 370 and name HA and segid SID ))
2.00 2.00 2.00
assi { 51 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 369 and name HB and segid SID )
2.50 2.50 2.50
assi { 52 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 366 and name HB# and segid SID )
or (resid 373 and name HE# and segid SID ))
2.00 2.00 2.00
assi { 53 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 369 and name HG* and segid SID )
2.00 2.00 2.00
assi { 55 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 370 and name HD* and segid SID )
2.00 2.00 2.00
assi { 56 ncphsfnoeb.xpk }
(resid 311 and name HG* and segid PAH )
(resid 367 and name HG* and segid SID )
2.50 2.50 2.50
assi { 57 ncphsfnoeb.xpk }
(resid 311 and name HG* and segid PAH )
(resid 366 and name HB# and segid SID )
2.00 2.00 2.00
assi { 59 ncphsfnoeb.xpk }
(resid 311 and name HG* and segid PAH )
(resid 362 and name HA and segid SID )
2.00 2.00 2.00
assi { 60 ncphsfnoeb.xpk }
(resid 311 and name HG* and segid PAH )
((resid 359 and name HD# and segid SID )
or (resid 359 and name HE# and segid SID ))
2.00 2.00 2.00
assi { 61 ncphsfnoeb.xpk }
(resid 358 and name HG1# and segid PAH )
(resid 373 and name HE# and segid SID )
2.00 2.00 2.00
assi { 62 ncphsfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 370 and name HD* and segid SID )
2.00 2.00 2.00
assi { 63 ncphsfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 370 and name HD* and segid SID )
2.00 2.00 2.00
assi { 64 ncphsfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 367 and name HG* and segid SID )
2.50 2.50 2.50
assi { 65 ncphsfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 370 and name HB# and segid SID )
2.00 2.00 2.00
assi { 66 ncphsfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 367 and name HA and segid SID )
2.00 2.00 2.00
assi { 67 ncphsfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 370 and name HA and segid SID )
2.00 2.00 2.00
assi { 68 ncphsfnoeb.xpk }
(resid 381 and name HA and segid PAH )
(resid 377 and name HB# and segid SID )
2.00 2.00 2.00
assi { 69 ncphsfnoeb.xpk }
(resid 381 and name HA and segid PAH )
(resid 377 and name HG# and segid SID )
2.00 2.00 2.00
assi { 70 ncphsfnoeb.xpk }
(resid 381 and name HA and segid PAH )
(resid 377 and name HD# and segid SID )
2.50 2.50 2.50
assi { 71 ncphsfnoeb.xpk }
(resid 336 and name HA and segid PAH )
(resid 369 and name HG* and segid SID )
2.00 2.00 2.00
assi { 72 ncphsfnoeb.xpk }
(resid 332 and name HA and segid PAH )
(resid 369 and name HG* and segid SID )
2.00 2.00 2.00
assi { 73 ncphsfnoeb.xpk }
(resid 336 and name HG# and segid PAH )
(resid 369 and name HG* and segid SID )
2.00 2.00 2.00
assi { 74 ncphsfnoeb.xpk }
(resid 336 and name HG# and segid PAH )
(resid 369 and name HG* and segid SID )
2.00 2.00 2.00
assi { 75 ncphsfnoeb.xpk }
(resid 335 and name HE# and segid PAH )
(resid 369 and name HG* and segid SID )
2.00 2.00 2.00
assi { 76 ncphsfnoeb.xpk }
(resid 335 and name HE# and segid PAH )
(resid 373 and name HE# and segid SID )
2.00 2.00 2.00
assi { 77 ncphsfnoeb.xpk }
(resid 335 and name HE# and segid PAH )
((resid 373 and name HB# and segid SID )
or (resid 373 and name HG# and segid SID ))
2.50 2.50 2.50
assi { 78 ncphsfnoeb.xpk }
(resid 335 and name HE# and segid PAH )
(resid 373 and name HA and segid SID )
2.50 2.50 2.50
assi { 79 ncphsfnoeb.xpk }
(resid 379 and name HD# and segid PAH )
(resid 374 and name HB# and segid SID )
2.00 2.00 2.00
assi { 80 ncphsfnoeb.xpk }
(resid 335 and name HD# and segid PAH )
(resid 369 and name HG* and segid SID )
2.00 2.00 2.00
assi { 82 ncphsfnoeb.xpk }
(resid 381 and name HA and segid PAH )
((resid 373 and name HA and segid SID )
or (resid 374 and name HA and segid SID ))
2.00 2.00 2.00
assi { 83 ncphsfnoeb.xpk }
(resid 381 and name HA and segid PAH )
(resid 377 and name HA and segid SID )
2.00 2.00 2.00
assi { 84 ncphsfnoeb.xpk }
(resid 379 and name HA and segid PAH )
(resid 374 and name HB# and segid SID )
2.00 2.00 2.00
assi { 85 ncphsfnoeb.xpk }
(resid 330 and name HA and segid PAH )
(resid 362 and name HE# and segid SID )
2.00 2.00 2.00
assi { 87 ncphsfnoeb.xpk }
(resid 330 and name HG# and segid PAH )
(resid 362 and name HE# and segid SID )
2.00 2.00 2.00
assi { 88 ncphsfnoeb.xpk }
(resid 303 and name HG# and segid PAH )
((resid 371 and name HA and segid SID )
or (resid 375 and name HA and segid SID ))
2.00 2.00 2.00
assi { 89 ncphsfnoeb.xpk }
(resid 303 and name HG# and segid PAH )
(resid 374 and name HB# and segid SID )
2.00 2.00 2.00
assi { 90 ncphsfnoeb.xpk }
(resid 335 and name HD# and segid PAH )
(resid 373 and name HE# and segid SID )
2.50 2.50 2.50
assi { 91 ncphsfnoeb.xpk }
(resid 379 and name HD# and segid PAH )
(resid 370 and name HD* and segid SID )
2.00 2.00 2.00
assi { 92 ncphsfnoeb.xpk }
(resid 312 and name HB# and segid PAH )
((resid 359 and name HD# and segid SID )
or (resid 359 and name HE# and segid SID ))
2.00 2.00 2.00
assi { 93 ncphsfnoeb.xpk }
(resid 312 and name HB# and segid PAH )
((resid 359 and name HD# and segid SID )
or (resid 359 and name HE# and segid SID ))
2.00 2.00 2.00
assi { 94 ncphsfnoeb.xpk }
(resid 381 and name HA and segid PAH )
(resid 377 and name HB# and segid SID )
2.50 2.50 2.50
assi { 95 ncphsfnoeb.xpk }
(resid 315 and name HE# and segid PAH )
(resid 359 and name HA and segid SID )
2.50 2.50 2.50
assi { 96 ncphsfnoeb.xpk }
(resid 315 and name HE# and segid PAH )
(resid 359 and name HD# and segid SID )
2.50 2.50 2.50
assi { 97 ncphsfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 371 and name HA and segid SID )
2.50 2.50 2.50
assi { 98 ncphsfnoeb.xpk }
(resid 302 and name HG* and segid PAH )
(resid 375 and name HG# and segid SID )
2.50 2.50 2.50
assi { 99 ncphsfnoeb.xpk }
(resid 302 and name HG* and segid PAH )
(resid 375 and name HD# and segid SID )
2.00 2.00 2.00
assi { 100 ncphsfnoeb.xpk }
(resid 302 and name HG* and segid PAH )
(resid 375 and name HA and segid SID )
2.00 2.00 2.00
assi { 101 ncphsfnoeb.xpk }
(resid 302 and name HG* and segid PAH )
(resid 374 and name HB# and segid SID )
2.50 2.50 2.50
assi { 102 ncphsfnoeb.xpk }
(resid 302 and name HG* and segid PAH )
(resid 375 and name HD# and segid SID )
2.50 2.50 2.50
assi { 103 ncphsfnoeb.xpk }
(resid 302 and name HG* and segid PAH )
(resid 375 and name HA and segid SID )
2.00 2.00 2.00
assi { 106 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 370 and name HB# and segid SID )
2.50 2.50 2.50
assi { 109 ncphsfnoeb.xpk }
(resid 333 and name HB# and segid PAH )
(resid 362 and name HE# and segid SID )
2.00 2.00 2.00
assi { 110 ncphsfnoeb.xpk }
(resid 381 and name HB# and segid PAH )
((resid 373 and name HA and segid SID )
or (resid 374 and name HA and segid SID ))
2.50 2.50 2.50
assi { 111 ncphsfnoeb.xpk }
(resid 381 and name HB# and segid PAH )
(resid 377 and name HA and segid SID )
2.00 2.00 2.00
assi { 112 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 370 and name HB# and segid SID )
2.00 2.00 2.00
assi { 113 ncphsfnoeb.xpk }
(resid 376 and name HE# and segid PAH )
(resid 370 and name HD* and segid SID )
2.50 2.50 2.50
assi { 114 ncphsfnoeb.xpk }
(resid 376 and name HE# and segid PAH )
(resid 370 and name HD* and segid SID )
2.50 2.50 2.50
assi { 115 ncphsfnoeb.xpk }
(resid 376 and name HE# and segid PAH )
((resid 370 and name HB# and segid SID )
or (resid 373 and name HE# and segid SID ))
2.50 2.50 2.50
assi { 116 ncphsfnoeb.xpk }
(resid 379 and name HE# and segid PAH )
(resid 374 and name HB# and segid SID )
2.50 2.50 2.50
assi { 117 ncphsfnoeb.xpk }
(resid 333 and name HA and segid PAH )
(resid 369 and name HG* and segid SID )
2.50 2.50 2.50
assi { 118 ncphsfnoeb.xpk }
(resid 381 and name HD# and segid PAH )
((resid 373 and name HA and segid SID )
or (resid 374 and name HA and segid SID ))
2.50 2.50 2.50
assi { 119 ncphsfnoeb.xpk }
(resid 381 and name HD# and segid PAH )
((resid 373 and name HA and segid SID )
or (resid 374 and name HA and segid SID ))
2.50 2.50 2.50
assi { 120 ncphsfnoeb.xpk }
(resid 381 and name HB# and segid PAH )
(resid 376 and name HB# and segid SID )
2.50 2.50 2.50
assi { 121 ncphsfnoeb.xpk }
(resid 302 and name HG* and segid PAH )
(resid 375 and name HG# and segid SID )
2.50 2.50 2.50
assi { 122 ncphsfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 370 and name HD* and segid SID )
2.00 2.00 2.00
assi { 123 ncphsfnoeb.xpk }
((resid 336 and name HG# and segid PAH )
or (resid 339 and name HG# and segid PAH ))
((resid 369 and name HB and segid SID )
or (resid 376 and name HB# and segid SID ))
2.50 2.50 2.50
assi { 124 ncphsfnoeb.xpk }
(resid 332 and name HA and segid PAH )
(resid 369 and name HB and segid SID )
2.50 2.50 2.50
ASSI { 5}
(( segid "PAH " and resid 379 and name HB1 ))
( segid "PAH " and resid 379 and name HD% )
2.600 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.26927E-02 ppm1 7.106 ppm2 3.256 CV 1
OR { 5}
(( segid "PAH " and resid 359 and name HB1 ))
( segid "PAH " and resid 359 and name HD% )
ASSI { 19}
(( segid "PAH " and resid 358 and name HB ))
( segid "PAH " and resid 335 and name HD% )
3.500 1.500 1.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.69545E-03 ppm1 6.892 ppm2 2.191 CV 1
OR { 19}
(( segid "PAH " and resid 338 and name HB2 ))
( segid "PAH " and resid 335 and name HD% )
OR { 19}
(( segid "PAH " and resid 336 and name HB2 ))
( segid "PAH " and resid 335 and name HD% )
ASSI { 22}
( segid "PAH " and resid 358 and name HG1%)
( segid "PAH " and resid 335 and name HD% )
2.800 1.000 1.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.35190E-02 ppm1 6.890 ppm2 0.794 CV 1
OR { 22}
( segid "PAH " and resid 331 and name HG2%)
( segid "PAH " and resid 335 and name HD% )
ASSI { 34}
( segid "PAH " and resid 329 and name HD2%)
( segid "PAH " and resid 325 and name HD% )
3.500 1.600 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.47910E-03 ppm1 7.037 ppm2 0.527 CV 1
OR { 34}
(( segid "PAH " and resid 314 and name HG12))
( segid "PAH " and resid 325 and name HD% )
ASSI { 41}
(( segid "PAH " and resid 329 and name HG ))
( segid "PAH " and resid 325 and name HE% )
3.500 1.500 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.69545E-03 ppm1 6.714 ppm2 1.350 CV 1
OR { 41}
( segid "PAH " and resid 354 and name HG2%)
( segid "PAH " and resid 335 and name HE% )
ASSI { 46}
(( segid "PAH " and resid 314 and name HG12))
( segid "PAH " and resid 310 and name HE% )
3.000 1.100 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.19556E-02 ppm1 6.869 ppm2 0.539 CV 1
OR { 46}
( segid "PAH " and resid 332 and name HD2%)
( segid "PAH " and resid 310 and name HE% )
OR { 46}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 310 and name HE% )
ASSI { 47}
( segid "PAH " and resid 373 and name HD2%)
( segid "PAH " and resid 359 and name HE% )
2.600 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.31563E-02 ppm1 6.855 ppm2 0.774 CV 1
OR { 47}
( segid "PAH " and resid 380 and name HD1%)
( segid "PAH " and resid 359 and name HE% )
OR { 47}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 310 and name HE% )
ASSI { 49}
( segid "PAH " and resid 363 and name HB% )
( segid "PAH " and resid 359 and name HE% )
3.100 1.200 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.11888E-02 ppm1 6.856 ppm2 1.164 CV 1
OR { 49}
( segid "PAH " and resid 311 and name HG2%)
( segid "PAH " and resid 310 and name HE% )
ASSI { 61}
( segid "PAH " and resid 342 and name HB% )
( segid "PAH " and resid 349 and name HD% )
2.600 0.800 0.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.34833E-02 ppm1 6.938 ppm2 1.421 CV 1
OR { 61}
( segid "PAH " and resid 345 and name HB% )
( segid "PAH " and resid 349 and name HD% )
ASSI { 68}
( segid "PAH " and resid 373 and name HD2%)
( segid "PAH " and resid 366 and name HD% )
3.000 1.100 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.17059E-02 ppm1 6.657 ppm2 0.767 CV 1
OR { 68}
( segid "PAH " and resid 365 and name HD1%)
( segid "PAH " and resid 366 and name HD% )
ASSI { 71}
(( segid "PAH " and resid 365 and name HG ))
( segid "PAH " and resid 366 and name HD% )
3.200 1.300 1.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.14088E-02 ppm1 6.662 ppm2 1.593 CV 1
OR { 71}
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( segid "PAH " and resid 366 and name HD% )
OR { 71}
(( segid "PAH " and resid 372 and name HG ))
( segid "PAH " and resid 366 and name HD% )
ASSI { 75}
(( segid "PAH " and resid 373 and name HA ))
( segid "PAH " and resid 366 and name HD% )
3.400 1.400 1.400 peak 75 spectrum 1 weight 0.10000E+01 volume 0.84409E-03 ppm1 6.655 ppm2 4.426 CV 1
OR { 75}
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( segid "PAH " and resid 366 and name HD% )
ASSI { 79}
( segid "PAH " and resid 380 and name HD2%)
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2.700 0.900 0.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.26511E-02 ppm1 7.140 ppm2 0.763 CV 1
OR { 79}
( segid "PAH " and resid 380 and name HD1%)
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OR { 79}
( segid "PAH " and resid 358 and name HG2%)
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ASSI { 87}
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3.300 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.85593E-03 ppm1 6.449 ppm2 4.144 CV 1
OR { 87}
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( segid "PAH " and resid 379 and name HE% )
ASSI { 91}
(( segid "PAH " and resid 324 and name HB ))
( segid "PAH " and resid 366 and name HE% )
3.400 1.500 1.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.87377E-03 ppm1 6.826 ppm2 1.576 CV 1
OR { 91}
(( segid "PAH " and resid 365 and name HG ))
( segid "PAH " and resid 366 and name HE% )
OR { 91}
(( segid "PAH " and resid 372 and name HG ))
( segid "PAH " and resid 366 and name HE% )
ASSI { 92}
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( segid "PAH " and resid 366 and name HE% )
2.900 1.000 1.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.19021E-02 ppm1 6.818 ppm2 0.742 CV 1
OR { 92}
( segid "PAH " and resid 365 and name HD2%)
( segid "PAH " and resid 366 and name HE% )
ASSI { 97}
( segid "PAH " and resid 324 and name HD1%)
( segid "PAH " and resid 318 and name HE% )
3.000 1.100 1.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.14385E-02 ppm1 6.914 ppm2 0.774 CV 1
OR { 97}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 318 and name HE% )
ASSI { 119}
( segid "PAH " and resid 365 and name HD2%)
( segid "PAH " and resid 328 and name HD% )
2.600 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.33941E-02 ppm1 6.877 ppm2 0.734 CV 1
OR { 119}
( segid "PAH " and resid 329 and name HD1%)
( segid "PAH " and resid 328 and name HD% )
OR { 119}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 328 and name HD% )
ASSI { 122}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 366 and name HZ ))
3.300 1.400 1.400 peak 122 spectrum 1 weight 0.10000E+01 volume 0.74302E-03 ppm1 6.169 ppm2 0.737 CV 1
OR { 122}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 366 and name HZ ))
ASSI { 167}
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( segid "PAH " and resid 349 and name HE% )
3.900 1.900 1.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.49515E-03 ppm1 6.802 ppm2 4.497 CV 1
OR { 167}
(( segid "PAH " and resid 350 and name HA ))
( segid "PAH " and resid 349 and name HE% )
ASSI { 169}
(( segid "PAH " and resid 310 and name HB1 ))
( segid "PAH " and resid 310 and name HE% )
3.200 1.300 1.300 peak 169 spectrum 1 weight 0.10000E+01 volume 0.98076E-03 ppm1 6.862 ppm2 3.386 CV 1
OR { 169}
(( segid "PAH " and resid 376 and name HB2 ))
( segid "PAH " and resid 310 and name HE% )
ASSI { 170}
(( segid "PAH " and resid 313 and name HE1 ))
( segid "PAH " and resid 310 and name HE% )
3.700 1.700 1.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.53022E-03 ppm1 6.860 ppm2 2.984 CV 1
OR { 170}
(( segid "PAH " and resid 310 and name HB2 ))
( segid "PAH " and resid 310 and name HE% )
ASSI { 174}
(( segid "PAH " and resid 380 and name HG ))
( segid "PAH " and resid 359 and name HE% )
3.200 3.200 2.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.66575E-03 ppm1 6.854 ppm2 1.506 CV 1
OR { 174}
(( segid "PAH " and resid 380 and name HB1 ))
( segid "PAH " and resid 359 and name HE% )
OR { 174}
( segid "PAH " and resid 360 and name HB% )
( segid "PAH " and resid 359 and name HE% )
ASSI { 178}
(( segid "PAH " and resid 315 and name HA ))
( segid "PAH " and resid 325 and name HE% )
3.400 1.400 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.72519E-03 ppm1 6.698 ppm2 3.066 CV 1
OR { 178}
(( segid "PAH " and resid 325 and name HB2 ))
( segid "PAH " and resid 325 and name HE% )
ASSI { 189}
( segid "PAH " and resid 329 and name HD2%)
( segid "PAH " and resid 328 and name HD% )
3.400 1.400 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.63008E-03 ppm1 6.889 ppm2 0.542 CV 1
OR { 189}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 328 and name HD% )
OR { 189}
( segid "PAH " and resid 332 and name HD2%)
( segid "PAH " and resid 328 and name HD% )
ASSI { 205}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 328 and name HE% )
3.100 1.200 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.15158E-02 ppm1 7.057 ppm2 0.745 CV 1
OR { 205}
( segid "PAH " and resid 331 and name HG2%)
( segid "PAH " and resid 328 and name HE% )
OR { 205}
( segid "PAH " and resid 365 and name HD2%)
( segid "PAH " and resid 328 and name HE% )
ASSI { 7}
( segid "PAH " and resid 318 and name HE% )
( segid "PAH " and resid 324 and name HG2%)
4.800 2.900 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.96630E-04 ppm1 0.085 ppm2 -1.086 CV 1
OR { 7}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 324 and name HG2%)
ASSI { 28}
( segid "PAH " and resid 310 and name HD% )
( segid "PAH " and resid 314 and name HD1%)
3.000 1.100 1.100 peak 28 spectrum 1 weight 0.10000E+01 volume 0.19012E-02 ppm1 -0.004 ppm2 -0.964 CV 1
OR { 28}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 314 and name HD1%)
OR { 28}
( segid "PAH " and resid 325 and name HD% )
( segid "PAH " and resid 314 and name HD1%)
ASSI { 29}
( segid "PAH " and resid 318 and name HD% )
( segid "PAH " and resid 314 and name HD1%)
3.800 1.800 1.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.58148E-03 ppm1 -0.004 ppm2 -0.717 CV 1
OR { 29}
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( segid "PAH " and resid 314 and name HD1%)
ASSI { 35}
(( segid "PAH " and resid 311 and name HA ))
( segid "PAH " and resid 314 and name HD1%)
3.100 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.13482E-02 ppm1 -0.004 ppm2 3.421 CV 1
OR { 35}
(( segid "PAH " and resid 310 and name HB1 ))
( segid "PAH " and resid 314 and name HD1%)
ASSI { 36}
( segid "PAH " and resid 311 and name HG2%)
( segid "PAH " and resid 314 and name HD1%)
3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.13340E-02 ppm1 -0.005 ppm2 1.155 CV 1
OR { 36}
(( segid "PAH " and resid 313 and name HG2 ))
( segid "PAH " and resid 314 and name HD1%)
ASSI { 58}
(( segid "PAH " and resid 365 and name HA ))
( segid "PAH " and resid 324 and name HD1%)
3.400 1.400 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.80382E-03 ppm1 0.810 ppm2 4.037 CV 1
OR { 58}
(( segid "PAH " and resid 367 and name HA ))
( segid "PAH " and resid 324 and name HD1%)
ASSI { 106}
(( segid "PAH " and resid 358 and name HA ))
( segid "PAH " and resid 331 and name HD1%)
4.000 2.000 2.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.47032E-03 ppm1 0.682 ppm2 3.411 CV 1
OR { 106}
(( segid "PAH " and resid 328 and name HB1 ))
( segid "PAH " and resid 331 and name HD1%)
ASSI { 116}
(( segid "PAH " and resid 313 and name HD2 ))
(( segid "PAH " and resid 313 and name HE1 ))
2.000 0.500 0.500 peak 116 spectrum 1 weight 0.10000E+01 volume 0.14651E-01 ppm1 2.960 ppm2 1.693 CV 1
OR { 116}
(( segid "PAH " and resid 343 and name HD1 ))
(( segid "PAH " and resid 343 and name HE1 ))
OR { 116}
(( segid "PAH " and resid 343 and name HD2 ))
(( segid "PAH " and resid 343 and name HE2 ))
OR { 116}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HE2 ))
OR { 116}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HE1 ))
OR { 116}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HE2 ))
OR { 116}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HE1 ))
OR { 116}
(( segid "PAH " and resid 343 and name HD2 ))
(( segid "PAH " and resid 343 and name HE1 ))
ASSI { 161}
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(( segid "PAH " and resid 299 and name HB1 ))
2.400 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.55868E-02 ppm1 2.853 ppm2 4.748 CV 1
OR { 161}
(( segid "PAH " and resid 348 and name HA ))
(( segid "PAH " and resid 348 and name HB1 ))
ASSI { 162}
(( segid "PAH " and resid 299 and name HA ))
(( segid "PAH " and resid 299 and name HB2 ))
2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.58433E-02 ppm1 2.739 ppm2 4.748 CV 1
OR { 162}
(( segid "PAH " and resid 348 and name HA ))
(( segid "PAH " and resid 348 and name HB2 ))
ASSI { 172}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 328 and name HB1 ))
3.300 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.78385E-03 ppm1 3.440 ppm2 0.736 CV 1
OR { 172}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 328 and name HB1 ))
OR { 172}
( segid "PAH " and resid 329 and name HD1%)
(( segid "PAH " and resid 328 and name HB1 ))
ASSI { 175}
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(( segid "PAH " and resid 341 and name HB1 ))
3.500 1.500 1.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.82950E-03 ppm1 2.742 ppm2 1.421 CV 1
OR { 175}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 341 and name HB1 ))
OR { 175}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 348 and name HB2 ))
ASSI { 180}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 314 and name HB ))
2.200 0.600 0.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.80664E-02 ppm1 1.736 ppm2 0.746 CV 1
OR { 180}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 331 and name HB ))
ASSI { 181}
(( segid "PAH " and resid 314 and name HG11))
(( segid "PAH " and resid 314 and name HB ))
2.900 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.14679E-02 ppm1 1.737 ppm2 1.042 CV 1
OR { 181}
(( segid "PAH " and resid 331 and name HG12))
(( segid "PAH " and resid 331 and name HB ))
ASSI { 183}
(( segid "PAH " and resid 332 and name HN ))
(( segid "PAH " and resid 331 and name HB ))
2.900 2.900 3.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.14907E-02 ppm1 1.776 ppm2 -0.010 CV 1
OR { 183}
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(( segid "PAH " and resid 331 and name HB ))
OR { 183}
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(( segid "PAH " and resid 314 and name HB ))
OR { 183}
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(( segid "PAH " and resid 314 and name HB ))
OR { 183}
( segid "PAH " and resid 314 and name HD1%)
(( segid "PAH " and resid 314 and name HB ))
ASSI { 188}
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(( segid "PAH " and resid 359 and name HB1 ))
3.500 1.500 1.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.68409E-03 ppm1 3.265 ppm2 0.787 CV 1
OR { 188}
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(( segid "PAH " and resid 359 and name HB1 ))
ASSI { 189}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 359 and name HB2 ))
3.600 1.600 1.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.46177E-03 ppm1 3.082 ppm2 0.792 CV 1
OR { 189}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 359 and name HB2 ))
OR { 189}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 359 and name HB2 ))
ASSI { 195}
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(( segid "PAH " and resid 313 and name HE1 ))
3.400 1.400 1.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.72684E-03 ppm1 2.959 ppm2 4.382 CV 1
OR { 195}
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(( segid "PAH " and resid 326 and name HE2 ))
OR { 195}
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(( segid "PAH " and resid 326 and name HE1 ))
ASSI { 205}
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(( segid "PAH " and resid 341 and name HB1 ))
2.200 0.600 0.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.92926E-02 ppm1 2.736 ppm2 4.346 CV 1
OR { 205}
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(( segid "PAH " and resid 316 and name HB1 ))
ASSI { 222}
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(( segid "PAH " and resid 338 and name HG1 ))
1.700 0.400 0.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.39051E-01 ppm1 2.427 ppm2 2.123 CV 1
OR { 222}
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(( segid "PAH " and resid 338 and name HG1 ))
OR { 222}
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(( segid "PAH " and resid 370 and name HG2 ))
OR { 222}
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OR { 222}
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(( segid "PAH " and resid 375 and name HG1 ))
OR { 222}
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(( segid "PAH " and resid 370 and name HG1 ))
ASSI { 225}
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(( segid "PAH " and resid 370 and name HG2 ))
3.300 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.60143E-03 ppm1 2.431 ppm2 0.787 CV 1
OR { 225}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 370 and name HG1 ))
OR { 225}
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(( segid "PAH " and resid 338 and name HG1 ))
ASSI { 236}
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(( segid "PAH " and resid 311 and name HA ))
3.300 3.300 2.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.77531E-03 ppm1 3.423 ppm2 -0.007 CV 1
OR { 236}
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(( segid "PAH " and resid 311 and name HA ))
OR { 236}
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(( segid "PAH " and resid 311 and name HA ))
OR { 236}
( segid "PAH " and resid 314 and name HD1%)
(( segid "PAH " and resid 311 and name HA ))
ASSI { 237}
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(( segid "PAH " and resid 311 and name HA ))
3.900 1.900 1.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.43326E-03 ppm1 3.424 ppm2 0.549 CV 1
OR { 237}
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(( segid "PAH " and resid 311 and name HA ))
ASSI { 243}
( segid "PAH " and resid 314 and name HG2%)
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3.200 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.80099E-03 ppm1 3.435 ppm2 0.791 CV 1
OR { 243}
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(( segid "PAH " and resid 328 and name HB1 ))
ASSI { 251}
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2.900 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.22775E-02 ppm1 2.362 ppm2 1.677 CV 1
OR { 251}
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(( segid "PAH " and resid 357 and name HG1 ))
OR { 251}
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OR { 251}
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ASSI { 252}
(( segid "PAH " and resid 353 and name HB2 ))
(( segid "PAH " and resid 357 and name HG2 ))
2.900 1.000 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.28447E-02 ppm1 2.360 ppm2 1.551 CV 1
OR { 252}
(( segid "PAH " and resid 353 and name HB2 ))
(( segid "PAH " and resid 357 and name HG1 ))
OR { 252}
(( segid "PAH " and resid 353 and name HB2 ))
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ASSI { 253}
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(( segid "PAH " and resid 338 and name HG2 ))
3.300 1.300 1.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.13654E-02 ppm1 2.378 ppm2 1.353 CV 1
OR { 253}
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(( segid "PAH " and resid 338 and name HG2 ))
OR { 253}
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(( segid "PAH " and resid 357 and name HG2 ))
ASSI { 257}
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(( segid "PAH " and resid 338 and name HG2 ))
2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.50737E-02 ppm1 2.368 ppm2 4.155 CV 1
OR { 257}
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(( segid "PAH " and resid 344 and name HG1 ))
ASSI { 258}
(( segid "PAH " and resid 326 and name HG1 ))
(( segid "PAH " and resid 330 and name HG2 ))
3.000 1.100 1.100 peak 258 spectrum 1 weight 0.10000E+01 volume 0.23345E-02 ppm1 2.262 ppm2 1.556 CV 1
OR { 258}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 330 and name HG2 ))
ASSI { 259}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 330 and name HG2 ))
2.800 2.800 3.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.15563E-02 ppm1 2.265 ppm2 1.679 CV 1
OR { 259}
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(( segid "PAH " and resid 344 and name HG2 ))
OR { 259}
(( segid "PAH " and resid 343 and name HD1 ))
(( segid "PAH " and resid 344 and name HG2 ))
OR { 259}
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(( segid "PAH " and resid 344 and name HG2 ))
ASSI { 269}
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2.400 0.700 0.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.53302E-02 ppm1 3.413 ppm2 0.735 CV 1
OR { 269}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 358 and name HA ))
ASSI { 273}
(( segid "PAH " and resid 357 and name HB2 ))
(( segid "PAH " and resid 358 and name HA ))
3.900 1.900 1.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.92065E-03 ppm1 3.418 ppm2 2.087 CV 1
OR { 273}
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(( segid "PAH " and resid 358 and name HA ))
ASSI { 277}
( segid "PAH " and resid 331 and name HD1%)
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3.000 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.14109E-02 ppm1 2.950 ppm2 0.711 CV 1
OR { 277}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 362 and name HA ))
ASSI { 278}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 362 and name HA ))
3.200 1.300 1.300 peak 278 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 2.945 ppm2 0.798 CV 1
OR { 278}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 362 and name HA ))
ASSI { 280}
(( segid "PAH " and resid 365 and name HB1 ))
(( segid "PAH " and resid 362 and name HA ))
3.000 1.100 1.100 peak 280 spectrum 1 weight 0.10000E+01 volume 0.16589E-02 ppm1 2.951 ppm2 1.443 CV 1
OR { 280}
(( segid "PAH " and resid 362 and name HB ))
(( segid "PAH " and resid 362 and name HA ))
ASSI { 282}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 361 and name HG1 ))
4.000 2.000 2.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.34205E-03 ppm1 2.687 ppm2 0.751 CV 1
OR { 282}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 361 and name HG1 ))
ASSI { 284}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 361 and name HG2 ))
3.900 1.900 1.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.54728E-03 ppm1 2.323 ppm2 0.747 CV 1
OR { 284}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 361 and name HG2 ))
ASSI { 286}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 321 and name HG2 ))
3.300 1.300 1.300 peak 286 spectrum 1 weight 0.10000E+01 volume 0.10033E-02 ppm1 2.353 ppm2 1.554 CV 1
OR { 286}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 361 and name HG2 ))
OR { 286}
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(( segid "PAH " and resid 321 and name HG2 ))
ASSI { 288}
(( segid "PAH " and resid 297 and name HB2 ))
(( segid "PAH " and resid 297 and name HG2 ))
2.200 0.600 0.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.84939E-02 ppm1 2.346 ppm2 1.960 CV 1
OR { 288}
(( segid "PAH " and resid 300 and name HB1 ))
(( segid "PAH " and resid 300 and name HG2 ))
OR { 288}
(( segid "PAH " and resid 339 and name HB1 ))
(( segid "PAH " and resid 339 and name HG2 ))
OR { 288}
(( segid "PAH " and resid 297 and name HB2 ))
(( segid "PAH " and resid 297 and name HG1 ))
ASSI { 290}
(( segid "PAH " and resid 300 and name HB2 ))
(( segid "PAH " and resid 300 and name HG1 ))
2.000 0.500 0.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.15962E-01 ppm1 2.345 ppm2 2.067 CV 1
OR { 290}
(( segid "PAH " and resid 361 and name HB1 ))
(( segid "PAH " and resid 361 and name HG2 ))
OR { 290}
(( segid "PAH " and resid 297 and name HB1 ))
(( segid "PAH " and resid 297 and name HG1 ))
OR { 290}
(( segid "PAH " and resid 297 and name HB1 ))
(( segid "PAH " and resid 297 and name HG2 ))
ASSI { 310}
( segid "PAH " and resid 334 and name HG2%)
(( segid "PAH " and resid 331 and name HA ))
4.000 2.000 2.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.46177E-03 ppm1 3.731 ppm2 1.265 CV 1
OR { 310}
(( segid "PAH " and resid 332 and name HB2 ))
(( segid "PAH " and resid 331 and name HA ))
ASSI { 314}
(( segid "PAH " and resid 314 and name HN ))
(( segid "PAH " and resid 314 and name HA ))
3.600 3.600 2.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.47602E-03 ppm1 3.197 ppm2 0.000 CV 1
OR { 314}
(( segid "PAH " and resid 318 and name HN ))
(( segid "PAH " and resid 314 and name HA ))
OR { 314}
(( segid "PAH " and resid 315 and name HN ))
(( segid "PAH " and resid 314 and name HA ))
OR { 314}
( segid "PAH " and resid 314 and name HD1%)
(( segid "PAH " and resid 314 and name HA ))
ASSI { 324}
(( segid "PAH " and resid 351 and name HD2 ))
(( segid "PAH " and resid 351 and name HB1 ))
3.300 1.400 1.400 peak 324 spectrum 1 weight 0.10000E+01 volume 0.14138E-02 ppm1 2.295 ppm2 3.709 CV 1
OR { 324}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 381 and name HB1 ))
OR { 324}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 351 and name HB1 ))
ASSI { 326}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 351 and name HB1 ))
2.000 0.500 0.500 peak 326 spectrum 1 weight 0.10000E+01 volume 0.10603E-01 ppm1 2.303 ppm2 4.378 CV 1
OR { 326}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 381 and name HB1 ))
ASSI { 327}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 351 and name HB2 ))
2.300 0.700 0.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.89786E-02 ppm1 1.861 ppm2 4.367 CV 1
OR { 327}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 326 and name HB1 ))
ASSI { 335}
(( segid "PAH " and resid 381 and name HG2 ))
(( segid "PAH " and resid 381 and name HB1 ))
1.800 0.400 0.400 peak 335 spectrum 1 weight 0.10000E+01 volume 0.21977E-01 ppm1 2.297 ppm2 2.052 CV 1
OR { 335}
(( segid "PAH " and resid 351 and name HG1 ))
(( segid "PAH " and resid 351 and name HB1 ))
OR { 335}
(( segid "PAH " and resid 381 and name HG1 ))
(( segid "PAH " and resid 381 and name HB1 ))
ASSI { 336}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HB2 ))
2.000 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.17616E-01 ppm1 1.880 ppm2 1.451 CV 1
OR { 336}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HB2 ))
OR { 336}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HB1 ))
ASSI { 340}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 313 and name HB2 ))
2.200 0.600 0.600 peak 340 spectrum 1 weight 0.10000E+01 volume 0.86365E-02 ppm1 2.016 ppm2 4.028 CV 1
OR { 340}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HB1 ))
OR { 340}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 313 and name HB1 ))
ASSI { 344}
(( segid "PAH " and resid 358 and name HA ))
(( segid "PAH " and resid 358 and name HB ))
2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.26338E-02 ppm1 2.208 ppm2 3.411 CV 1
OR { 344}
(( segid "PAH " and resid 311 and name HA ))
(( segid "PAH " and resid 311 and name HB ))
ASSI { 350}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 324 and name HA ))
2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 3.709 ppm2 0.808 CV 1
OR { 350}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 324 and name HA ))
ASSI { 352}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 324 and name HA ))
2.400 0.700 0.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.59858E-02 ppm1 3.709 ppm2 1.528 CV 1
OR { 352}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 324 and name HA ))
OR { 352}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 324 and name HA ))
ASSI { 354}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 326 and name HB1 ))
3.400 1.400 1.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.48172E-03 ppm1 1.855 ppm2 0.535 CV 1
OR { 354}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 326 and name HB2 ))
OR { 354}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 367 and name HB2 ))
OR { 354}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 326 and name HB2 ))
OR { 354}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 337 and name HB2 ))
OR { 354}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 326 and name HB1 ))
ASSI { 381}
( segid "PAH " and resid 359 and name HD% )
(( segid "PAH " and resid 362 and name HB ))
3.800 1.800 1.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.41616E-03 ppm1 1.443 ppm2 -0.883 CV 1
OR { 381}
( segid "PAH " and resid 376 and name HE% )
(( segid "PAH " and resid 362 and name HB ))
ASSI { 386}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 362 and name HB ))
3.400 1.400 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.90640E-03 ppm1 1.442 ppm2 0.782 CV 1
OR { 386}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 362 and name HB ))
ASSI { 390}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HB1 ))
2.300 0.600 0.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.84939E-02 ppm1 1.843 ppm2 4.021 CV 1
OR { 390}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HB2 ))
OR { 390}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HB2 ))
ASSI { 408}
(( segid "PAH " and resid 344 and name HG1 ))
(( segid "PAH " and resid 344 and name HB2 ))
2.000 0.500 0.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.14309E-01 ppm1 1.960 ppm2 2.340 CV 1
OR { 408}
(( segid "PAH " and resid 297 and name HG2 ))
(( segid "PAH " and resid 297 and name HB2 ))
OR { 408}
(( segid "PAH " and resid 300 and name HG2 ))
(( segid "PAH " and resid 300 and name HB1 ))
OR { 408}
(( segid "PAH " and resid 297 and name HG1 ))
(( segid "PAH " and resid 297 and name HB2 ))
ASSI { 410}
(( segid "PAH " and resid 297 and name HA ))
(( segid "PAH " and resid 297 and name HB2 ))
2.500 0.800 0.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.38196E-02 ppm1 1.962 ppm2 4.304 CV 1
OR { 410}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 344 and name HB2 ))
ASSI { 417}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 359 and name HA ))
3.800 1.800 1.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.76106E-03 ppm1 3.881 ppm2 0.715 CV 1
OR { 417}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 359 and name HA ))
ASSI { 432}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 355 and name HA ))
2.900 1.100 1.100 peak 432 spectrum 1 weight 0.10000E+01 volume 0.19212E-02 ppm1 3.749 ppm2 0.802 CV 1
OR { 432}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 355 and name HA ))
OR { 432}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 355 and name HA ))
ASSI { 434}
(( segid "PAH " and resid 355 and name HB1 ))
(( segid "PAH " and resid 355 and name HA ))
2.400 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.49312E-02 ppm1 3.749 ppm2 2.220 CV 1
OR { 434}
(( segid "PAH " and resid 358 and name HB ))
(( segid "PAH " and resid 355 and name HA ))
ASSI { 439}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 328 and name HA ))
3.200 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.15477E-02 ppm1 3.865 ppm2 0.805 CV 1
OR { 439}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 328 and name HA ))
ASSI { 451}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 376 and name HA ))
4.600 2.600 1.400 peak 451 spectrum 1 weight 0.10000E+01 volume 0.98337E-04 ppm1 4.163 ppm2 0.804 CV 1
OR { 451}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 376 and name HA ))
OR { 451}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 376 and name HA ))
ASSI { 455}
(( segid "PAH " and resid 373 and name HG ))
(( segid "PAH " and resid 370 and name HA ))
3.100 1.200 1.200 peak 455 spectrum 1 weight 0.10000E+01 volume 0.15477E-02 ppm1 3.990 ppm2 1.860 CV 1
OR { 455}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 370 and name HA ))
ASSI { 466}
(( segid "PAH " and resid 331 and name HN ))
(( segid "PAH " and resid 331 and name HG12))
2.900 1.100 1.100 peak 466 spectrum 1 weight 0.10000E+01 volume 0.17159E-02 ppm1 1.020 ppm2 -0.009 CV 1
OR { 466}
( segid "PAH " and resid 314 and name HD1%)
(( segid "PAH " and resid 314 and name HG11))
OR { 466}
(( segid "PAH " and resid 314 and name HN ))
(( segid "PAH " and resid 314 and name HG11))
ASSI { 469}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 314 and name HG11))
2.500 0.800 0.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.47032E-02 ppm1 1.029 ppm2 0.758 CV 1
OR { 469}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 331 and name HG12))
ASSI { 470}
(( segid "PAH " and resid 331 and name HG11))
(( segid "PAH " and resid 331 and name HG12))
2.100 0.500 0.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.72684E-02 ppm1 1.034 ppm2 1.756 CV 1
OR { 470}
(( segid "PAH " and resid 314 and name HB ))
(( segid "PAH " and resid 314 and name HG11))
ASSI { 471}
(( segid "PAH " and resid 311 and name HA ))
(( segid "PAH " and resid 314 and name HG11))
3.600 1.700 1.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.46462E-03 ppm1 1.021 ppm2 3.420 CV 1
OR { 471}
(( segid "PAH " and resid 358 and name HA ))
(( segid "PAH " and resid 331 and name HG12))
ASSI { 518}
(( segid "PAH " and resid 367 and name HB1 ))
(( segid "PAH " and resid 367 and name HA ))
2.000 0.500 0.500 peak 518 spectrum 1 weight 0.10000E+01 volume 0.18014E-01 ppm1 4.046 ppm2 2.020 CV 1
OR { 518}
(( segid "PAH " and resid 375 and name HG2 ))
(( segid "PAH " and resid 375 and name HA ))
ASSI { 520}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 319 and name HA ))
2.400 0.700 0.700 peak 520 spectrum 1 weight 0.10000E+01 volume 0.62139E-02 ppm1 4.056 ppm2 2.437 CV 1
OR { 520}
(( segid "PAH " and resid 375 and name HG1 ))
(( segid "PAH " and resid 375 and name HA ))
OR { 520}
(( segid "PAH " and resid 319 and name HG2 ))
(( segid "PAH " and resid 319 and name HA ))
ASSI { 529}
(( segid "PAH " and resid 341 and name HB2 ))
(( segid "PAH " and resid 338 and name HA ))
2.600 0.900 0.900 peak 529 spectrum 1 weight 0.10000E+01 volume 0.35060E-02 ppm1 4.169 ppm2 2.458 CV 1
OR { 529}
(( segid "PAH " and resid 338 and name HG1 ))
(( segid "PAH " and resid 338 and name HA ))
ASSI { 531}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 340 and name HA ))
2.500 0.800 0.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.44466E-02 ppm1 4.045 ppm2 1.572 CV 1
OR { 531}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HA ))
ASSI { 532}
(( segid "PAH " and resid 364 and name HB1 ))
(( segid "PAH " and resid 364 and name HA ))
1.900 0.400 0.400 peak 532 spectrum 1 weight 0.10000E+01 volume 0.27535E-01 ppm1 4.041 ppm2 1.850 CV 1
OR { 532}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 367 and name HA ))
OR { 532}
(( segid "PAH " and resid 364 and name HB2 ))
(( segid "PAH " and resid 364 and name HA ))
OR { 532}
(( segid "PAH " and resid 340 and name HB2 ))
(( segid "PAH " and resid 340 and name HA ))
ASSI { 534}
( segid "PAH " and resid 363 and name HB% )
(( segid "PAH " and resid 364 and name HA ))
4.100 2.100 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.29929E-03 ppm1 4.049 ppm2 1.181 CV 1
OR { 534}
(( segid "PAH " and resid 329 and name HB2 ))
(( segid "PAH " and resid 330 and name HA ))
ASSI { 535}
( segid "PAH " and resid 373 and name HD1%)
(( segid "PAH " and resid 364 and name HA ))
3.500 1.500 1.500 peak 535 spectrum 1 weight 0.10000E+01 volume 0.41616E-03 ppm1 4.045 ppm2 0.963 CV 1
OR { 535}
( segid "PAH " and resid 373 and name HD1%)
(( segid "PAH " and resid 367 and name HA ))
OR { 535}
(( segid "PAH " and resid 317 and name HG1 ))
(( segid "PAH " and resid 319 and name HA ))
ASSI { 536}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 364 and name HA ))
3.600 1.600 1.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.47317E-03 ppm1 4.041 ppm2 0.791 CV 1
OR { 536}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 319 and name HA ))
OR { 536}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 330 and name HA ))
OR { 536}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 367 and name HA ))
OR { 536}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 364 and name HA ))
OR { 536}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 367 and name HA ))
ASSI { 537}
(( segid "PAH " and resid 315 and name HA ))
(( segid "PAH " and resid 319 and name HA ))
3.500 1.600 1.600 peak 537 spectrum 1 weight 0.10000E+01 volume 0.49027E-03 ppm1 4.047 ppm2 3.045 CV 1
OR { 537}
(( segid "PAH " and resid 367 and name HE1 ))
(( segid "PAH " and resid 367 and name HA ))
ASSI { 553}
(( segid "PAH " and resid 343 and name HB2 ))
(( segid "PAH " and resid 343 and name HA ))
2.400 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.67554E-02 ppm1 4.163 ppm2 1.949 CV 1
OR { 553}
(( segid "PAH " and resid 343 and name HB1 ))
(( segid "PAH " and resid 343 and name HA ))
OR { 553}
(( segid "PAH " and resid 344 and name HB2 ))
(( segid "PAH " and resid 344 and name HA ))
ASSI { 555}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 332 and name HA ))
3.500 1.600 1.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.53587E-03 ppm1 3.915 ppm2 0.739 CV 1
OR { 555}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 332 and name HA ))
ASSI { 564}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 329 and name HA ))
3.000 1.100 1.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.14281E-02 ppm1 3.510 ppm2 0.538 CV 1
OR { 564}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 329 and name HA ))
ASSI { 573}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 365 and name HA ))
3.300 1.400 1.400 peak 573 spectrum 1 weight 0.10000E+01 volume 0.11744E-02 ppm1 4.036 ppm2 1.535 CV 1
OR { 573}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 365 and name HA ))
OR { 573}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 365 and name HA ))
ASSI { 585}
(( segid "PAH " and resid 372 and name HG ))
(( segid "PAH " and resid 372 and name HA ))
2.700 0.900 0.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.26138E-02 ppm1 4.384 ppm2 1.579 CV 1
OR { 585}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 312 and name HA ))
ASSI { 589}
(( segid "PAH " and resid 375 and name HB1 ))
(( segid "PAH " and resid 372 and name HA ))
3.500 1.600 1.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.88933E-03 ppm1 4.393 ppm2 2.223 CV 1
OR { 589}
(( segid "PAH " and resid 311 and name HB ))
(( segid "PAH " and resid 312 and name HA ))
ASSI { 626}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 342 and name HA ))
2.100 0.600 0.600 peak 626 spectrum 1 weight 0.10000E+01 volume 0.10062E-01 ppm1 3.955 ppm2 1.430 CV 1
OR { 626}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 342 and name HA ))
ASSI { 643}
(( segid "PAH " and resid 321 and name HB2 ))
(( segid "PAH " and resid 321 and name HA ))
3.000 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14480E-02 ppm1 4.957 ppm2 2.144 CV 1
OR { 643}
(( segid "PAH " and resid 322 and name HG1 ))
(( segid "PAH " and resid 321 and name HA ))
ASSI { 655}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 348 and name HA ))
4.300 2.400 1.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.23003E-03 ppm1 4.744 ppm2 1.439 CV 1
OR { 655}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 348 and name HA ))
ASSI { 671}
(( segid "PAH " and resid 322 and name HA ))
(( segid "PAH " and resid 322 and name HG2 ))
3.500 1.500 1.500 peak 671 spectrum 1 weight 0.10000E+01 volume 0.14651E-02 ppm1 2.060 ppm2 4.518 CV 1
OR { 671}
(( segid "PAH " and resid 350 and name HA ))
(( segid "PAH " and resid 351 and name HG1 ))
ASSI { 672}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 381 and name HG1 ))
3.500 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.96912E-03 ppm1 2.034 ppm2 4.402 CV 1
OR { 672}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 381 and name HG2 ))
OR { 672}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 351 and name HG1 ))
OR { 672}
(( segid "PAH " and resid 380 and name HA ))
(( segid "PAH " and resid 381 and name HG1 ))
OR { 672}
(( segid "PAH " and resid 380 and name HA ))
(( segid "PAH " and resid 381 and name HG2 ))
ASSI { 674}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 381 and name HG1 ))
2.100 0.500 0.500 peak 674 spectrum 1 weight 0.10000E+01 volume 0.11772E-01 ppm1 2.057 ppm2 3.700 CV 1
OR { 674}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 351 and name HG1 ))
OR { 674}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 381 and name HG2 ))
ASSI { 679}
( segid "PAH " and resid 354 and name HG2%)
(( segid "PAH " and resid 351 and name HG1 ))
3.400 1.500 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.93780E-03 ppm1 2.063 ppm2 1.351 CV 1
OR { 679}
(( segid "PAH " and resid 380 and name HB2 ))
(( segid "PAH " and resid 381 and name HG2 ))
OR { 679}
(( segid "PAH " and resid 380 and name HB2 ))
(( segid "PAH " and resid 381 and name HG1 ))
ASSI { 684}
(( segid "PAH " and resid 351 and name HB1 ))
(( segid "PAH " and resid 351 and name HG2 ))
2.300 0.700 0.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.95205E-02 ppm1 1.963 ppm2 2.293 CV 1
OR { 684}
(( segid "PAH " and resid 355 and name HG2 ))
(( segid "PAH " and resid 355 and name HB2 ))
ASSI { 691}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 373 and name HG ))
3.300 1.300 1.300 peak 691 spectrum 1 weight 0.10000E+01 volume 0.11858E-02 ppm1 1.859 ppm2 3.990 CV 1
OR { 691}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 369 and name HB1 ))
OR { 691}
(( segid "PAH " and resid 370 and name HA ))
(( segid "PAH " and resid 369 and name HB2 ))
ASSI { 695}
(( segid "PAH " and resid 364 and name HB2 ))
(( segid "PAH " and resid 364 and name HG2 ))
1.800 0.400 0.400 peak 695 spectrum 1 weight 0.10000E+01 volume 0.37625E-01 ppm1 1.577 ppm2 1.857 CV 1
OR { 695}
(( segid "PAH " and resid 364 and name HB1 ))
(( segid "PAH " and resid 364 and name HG2 ))
OR { 695}
(( segid "PAH " and resid 340 and name HB2 ))
(( segid "PAH " and resid 340 and name HG2 ))
ASSI { 709}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 319 and name HB1 ))
1.900 0.500 0.500 peak 709 spectrum 1 weight 0.10000E+01 volume 0.18784E-01 ppm1 2.231 ppm2 2.439 CV 1
OR { 709}
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ASSI { 713}
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2.900 1.100 1.100 peak 713 spectrum 1 weight 0.10000E+01 volume 0.16019E-02 ppm1 2.095 ppm2 4.336 CV 1
OR { 713}
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ASSI { 719}
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OR { 719}
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ASSI { 735}
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1.800 0.400 0.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.36200E-01 ppm1 2.126 ppm2 2.417 CV 1
OR { 735}
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OR { 735}
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ASSI { 749}
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3.500 1.600 1.600 peak 749 spectrum 1 weight 0.10000E+01 volume 0.49882E-03 ppm1 1.588 ppm2 -1.349 CV 1
OR { 749}
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ASSI { 750}
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3.800 1.800 1.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.36770E-03 ppm1 1.592 ppm2 -1.189 CV 1
OR { 750}
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ASSI { 755}
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2.900 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.20580E-02 ppm1 1.576 ppm2 2.962 CV 1
OR { 755}
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OR { 755}
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ASSI { 760}
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3.000 1.100 1.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.14394E-02 ppm1 1.155 ppm2 -0.971 CV 1
OR { 760}
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ASSI { 762}
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3.500 3.500 2.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.58718E-03 ppm1 1.163 ppm2 -0.018 CV 1
OR { 762}
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OR { 762}
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ASSI { 770}
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3.700 1.700 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.66129E-03 ppm1 1.156 ppm2 2.963 CV 1
OR { 770}
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ASSI { 771}
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2.600 0.800 0.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.39336E-02 ppm1 1.159 ppm2 3.427 CV 1
OR { 771}
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ASSI { 774}
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3.500 1.500 1.500 peak 774 spectrum 1 weight 0.10000E+01 volume 0.73538E-03 ppm1 0.965 ppm2 -1.143 CV 1
OR { 774}
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OR { 774}
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ASSI { 778}
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2.900 1.000 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.18699E-02 ppm1 0.962 ppm2 4.431 CV 1
OR { 778}
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ASSI { 779}
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2.500 0.800 0.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.44466E-02 ppm1 0.914 ppm2 4.380 CV 1
OR { 779}
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ASSI { 781}
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2.800 1.000 1.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.26594E-02 ppm1 0.966 ppm2 4.000 CV 1
OR { 781}
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ASSI { 801}
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2.100 0.500 0.500 peak 801 spectrum 1 weight 0.10000E+01 volume 0.12684E-01 ppm1 1.472 ppm2 1.861 CV 1
OR { 801}
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OR { 801}
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OR { 801}
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ASSI { 804}
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2.100 0.600 0.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.12941E-01 ppm1 1.452 ppm2 1.902 CV 1
OR { 804}
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ASSI { 806}
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3.000 1.100 1.100 peak 806 spectrum 1 weight 0.10000E+01 volume 0.15820E-02 ppm1 1.520 ppm2 2.980 CV 1
OR { 806}
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ASSI { 808}
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1.900 0.500 0.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.20352E-01 ppm1 1.523 ppm2 1.678 CV 1
OR { 808}
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OR { 808}
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ASSI { 819}
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2.700 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.38481E-02 ppm1 2.315 ppm2 4.075 CV 1
OR { 819}
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ASSI { 827}
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2.500 0.800 0.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.53587E-02 ppm1 4.060 ppm2 1.689 CV 1
OR { 827}
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ASSI { 828}
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1.900 0.500 0.500 peak 828 spectrum 1 weight 0.10000E+01 volume 0.21349E-01 ppm1 4.066 ppm2 2.077 CV 1
OR { 828}
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OR { 828}
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ASSI { 834}
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2.700 0.900 0.900 peak 834 spectrum 1 weight 0.10000E+01 volume 0.35345E-02 ppm1 2.053 ppm2 4.353 CV 1
OR { 834}
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OR { 834}
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ASSI { 835}
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2.200 0.600 0.600 peak 835 spectrum 1 weight 0.10000E+01 volume 0.80664E-02 ppm1 2.114 ppm2 4.106 CV 1
OR { 835}
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OR { 835}
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ASSI { 836}
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1.900 0.400 0.400 peak 836 spectrum 1 weight 0.10000E+01 volume 0.21321E-01 ppm1 2.104 ppm2 2.503 CV 1
OR { 836}
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OR { 836}
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OR { 836}
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ASSI { 844}
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2.100 0.500 0.500 peak 844 spectrum 1 weight 0.10000E+01 volume 0.12029E-01 ppm1 1.625 ppm2 1.346 CV 1
OR { 844}
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OR { 844}
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ASSI { 851}
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2.100 0.500 0.500 peak 851 spectrum 1 weight 0.10000E+01 volume 0.12713E-01 ppm1 2.076 ppm2 4.076 CV 1
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OR { 851}
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ASSI { 854}
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1.700 0.300 0.500 peak 854 spectrum 1 weight 0.10000E+01 volume 0.36770E-01 ppm1 2.074 ppm2 2.339 CV 1
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OR { 854}
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ASSI { 856}
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1.500 0.300 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.67554E-01 ppm1 2.073 ppm2 1.956 CV 1
OR { 856}
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ASSI { 858}
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1.700 0.400 0.500 peak 858 spectrum 1 weight 0.10000E+01 volume 0.43041E-01 ppm1 1.688 ppm2 1.544 CV 1
OR { 858}
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OR { 858}
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ASSI { 869}
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3.000 1.100 1.100 peak 869 spectrum 1 weight 0.10000E+01 volume 0.29644E-02 ppm1 1.529 ppm2 2.078 CV 1
OR { 869}
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OR { 869}
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ASSI { 870}
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3.100 1.200 1.200 peak 870 spectrum 1 weight 0.10000E+01 volume 0.19411E-02 ppm1 1.538 ppm2 2.327 CV 1
OR { 870}
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ASSI { 884}
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1.800 0.400 0.400 peak 884 spectrum 1 weight 0.10000E+01 volume 0.25340E-01 ppm1 4.060 ppm2 1.871 CV 1
OR { 884}
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OR { 884}
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ASSI { 896}
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2.400 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.65274E-02 ppm1 3.725 ppm2 2.061 CV 1
OR { 896}
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OR { 896}
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ASSI { 903}
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4.000 2.100 2.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.47887E-03 ppm1 3.446 ppm2 2.462 CV 1
OR { 903}
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ASSI { 935}
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4.100 2.100 1.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.58433E-03 ppm1 1.435 ppm2 4.520 CV 1
OR { 935}
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ASSI { 939}
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3.400 1.500 1.500 peak 939 spectrum 1 weight 0.10000E+01 volume 0.79528E-03 ppm1 1.435 ppm2 4.134 CV 1
OR { 939}
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ASSI { 945}
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3.100 1.200 1.200 peak 945 spectrum 1 weight 0.10000E+01 volume 0.16931E-02 ppm1 0.762 ppm2 -1.103 CV 1
OR { 945}
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OR { 945}
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ASSI { 948}
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2.500 2.500 3.500 peak 948 spectrum 1 weight 0.10000E+01 volume 0.52162E-02 ppm1 0.763 ppm2 -0.009 CV 1
OR { 948}
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OR { 948}
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ASSI { 952}
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3.300 1.400 1.400 peak 952 spectrum 1 weight 0.10000E+01 volume 0.85229E-03 ppm1 0.756 ppm2 2.986 CV 1
OR { 952}
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ASSI { 956}
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3.200 1.300 1.300 peak 956 spectrum 1 weight 0.10000E+01 volume 0.15877E-02 ppm1 0.753 ppm2 3.891 CV 1
OR { 956}
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OR { 956}
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ASSI { 958}
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2.100 0.600 0.600 peak 958 spectrum 1 weight 0.10000E+01 volume 0.12171E-01 ppm1 0.765 ppm2 0.558 CV 1
OR { 958}
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ASSI { 971}
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3.600 1.600 1.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.68980E-03 ppm1 1.037 ppm2 -0.939 CV 1
OR { 971}
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ASSI { 993}
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3.300 1.400 1.400 peak 993 spectrum 1 weight 0.10000E+01 volume 0.86082E-03 ppm1 0.538 ppm2 -0.954 CV 1
OR { 993}
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ASSI { 994}
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3.700 1.700 1.700 peak 994 spectrum 1 weight 0.10000E+01 volume 0.55298E-03 ppm1 0.539 ppm2 -1.143 CV 1
OR { 994}
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ASSI { 1018}
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3.200 1.300 1.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.78103E-03 ppm1 3.395 ppm2 4.186 CV 1
OR { 1018}
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ASSI { 1031}
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2.600 0.900 0.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.41901E-02 ppm1 2.434 ppm2 4.067 CV 1
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ASSI { 1044}
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3.400 1.500 1.500 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.53873E-03 ppm1 4.125 ppm2 0.788 CV 1
OR { 1044}
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ASSI { 1056}
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3.100 1.200 1.200 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.17787E-02 ppm1 2.195 ppm2 1.562 CV 1
OR { 1056}
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OR { 1056}
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ASSI { 1057}
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2.400 0.700 0.700 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.92926E-02 ppm1 0.564 ppm2 1.686 CV 1
OR { 1057}
(( segid "PAH " and resid 372 and name HB1 ))
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1061}
(( segid "PAH " and resid 372 and name HN ))
( segid "PAH " and resid 372 and name HD1%)
3.000 3.000 3.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 0.541 ppm2 -0.010 CV 1
OR { 1061}
(( segid "PAH " and resid 332 and name HN ))
( segid "PAH " and resid 332 and name HD1%)
OR { 1061}
(( segid "PAH " and resid 373 and name HN ))
( segid "PAH " and resid 372 and name HD1%)
OR { 1061}
(( segid "PAH " and resid 371 and name HN ))
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1064}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 332 and name HD1%)
2.900 1.100 1.100 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.19269E-02 ppm1 0.545 ppm2 -1.160 CV 1
OR { 1064}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1068}
(( segid "PAH " and resid 335 and name HB2 ))
( segid "PAH " and resid 332 and name HD1%)
3.100 1.200 1.200 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.15364E-02 ppm1 0.544 ppm2 2.956 CV 1
OR { 1068}
(( segid "PAH " and resid 313 and name HE1 ))
( segid "PAH " and resid 372 and name HD1%)
OR { 1068}
(( segid "PAH " and resid 362 and name HA ))
( segid "PAH " and resid 332 and name HD1%)
ASSI { 1069}
(( segid "PAH " and resid 335 and name HB1 ))
( segid "PAH " and resid 332 and name HD1%)
3.300 1.400 1.400 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.12228E-02 ppm1 0.552 ppm2 3.202 CV 1
OR { 1069}
(( segid "PAH " and resid 314 and name HA ))
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1072}
(( segid "PAH " and resid 366 and name HB2 ))
( segid "PAH " and resid 373 and name HD2%)
2.700 0.900 0.900 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.38196E-02 ppm1 0.814 ppm2 2.943 CV 1
OR { 1072}
(( segid "PAH " and resid 335 and name HB2 ))
( segid "PAH " and resid 358 and name HG1%)
OR { 1072}
(( segid "PAH " and resid 362 and name HA ))
( segid "PAH " and resid 358 and name HG1%)
ASSI { 1073}
(( segid "PAH " and resid 379 and name HB1 ))
( segid "PAH " and resid 380 and name HD2%)
2.900 1.100 1.100 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.23003E-02 ppm1 0.825 ppm2 3.201 CV 1
OR { 1073}
(( segid "PAH " and resid 335 and name HB1 ))
( segid "PAH " and resid 358 and name HG1%)
ASSI { 1076}
(( segid "PAH " and resid 370 and name HA ))
( segid "PAH " and resid 373 and name HD2%)
2.700 0.900 0.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.32495E-02 ppm1 0.801 ppm2 4.029 CV 1
OR { 1076}
(( segid "PAH " and resid 364 and name HA ))
( segid "PAH " and resid 373 and name HD2%)
ASSI { 1078}
( segid "PAH " and resid 366 and name HD% )
( segid "PAH " and resid 373 and name HD2%)
2.800 1.000 1.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.26566E-02 ppm1 0.809 ppm2 -1.327 CV 1
OR { 1078}
( segid "PAH " and resid 335 and name HE% )
( segid "PAH " and resid 358 and name HG1%)
ASSI { 1079}
( segid "PAH " and resid 359 and name HE% )
( segid "PAH " and resid 373 and name HD2%)
2.600 0.900 0.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.42756E-02 ppm1 0.818 ppm2 -1.133 CV 1
OR { 1079}
( segid "PAH " and resid 335 and name HD% )
( segid "PAH " and resid 358 and name HG1%)
ASSI { 1080}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 358 and name HG1%)
2.800 1.000 1.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.20865E-02 ppm1 0.797 ppm2 -0.882 CV 1
OR { 1080}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1081}
( segid "PAH " and resid 376 and name HD% )
( segid "PAH " and resid 380 and name HD2%)
3.400 1.400 1.400 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.10746E-02 ppm1 0.805 ppm2 -0.597 CV 1
OR { 1081}
( segid "PAH " and resid 376 and name HD% )
( segid "PAH " and resid 358 and name HG1%)
ASSI { 1083}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 358 and name HG1%)
3.300 1.300 1.300 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.14394E-02 ppm1 0.808 ppm2 0.422 CV 1
OR { 1083}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 373 and name HD2%)
ASSI { 1084}
(( segid "PAH " and resid 358 and name HB ))
( segid "PAH " and resid 358 and name HG1%)
2.000 0.500 0.500 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.13055E-01 ppm1 0.818 ppm2 2.196 CV 1
OR { 1084}
(( segid "PAH " and resid 373 and name HB1 ))
( segid "PAH " and resid 373 and name HD2%)
ASSI { 1105}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 362 and name HG1%)
3.000 1.100 1.100 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.11858E-02 ppm1 0.426 ppm2 -0.874 CV 1
OR { 1105}
( segid "PAH " and resid 359 and name HD% )
( segid "PAH " and resid 362 and name HG1%)
ASSI { 1108}
(( segid "PAH " and resid 359 and name HA ))
( segid "PAH " and resid 362 and name HG1%)
3.400 1.400 1.400 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.12143E-02 ppm1 0.426 ppm2 3.874 CV 1
OR { 1108}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 362 and name HG1%)
ASSI { 1109}
( segid "PAH " and resid 331 and name HG2%)
( segid "PAH " and resid 362 and name HG1%)
2.200 0.600 0.600 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.13967E-01 ppm1 0.425 ppm2 0.733 CV 1
OR { 1109}
( segid "PAH " and resid 365 and name HD2%)
( segid "PAH " and resid 362 and name HG1%)
ASSI { 1112}
(( segid "PAH " and resid 331 and name HB ))
( segid "PAH " and resid 362 and name HG1%)
3.800 1.800 1.800 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.54728E-03 ppm1 0.427 ppm2 1.727 CV 1
OR { 1112}
(( segid "PAH " and resid 373 and name HB2 ))
( segid "PAH " and resid 362 and name HG1%)
ASSI { 1114}
( segid "PAH " and resid 366 and name HD% )
( segid "PAH " and resid 365 and name HD1%)
3.400 1.400 1.400 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.63564E-03 ppm1 0.795 ppm2 -1.312 CV 1
OR { 1114}
( segid "PAH " and resid 335 and name HE% )
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1115}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 365 and name HD1%)
2.900 1.100 1.100 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.19326E-02 ppm1 0.797 ppm2 -1.135 CV 1
OR { 1115}
( segid "PAH " and resid 359 and name HE% )
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1116}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 380 and name HD2%)
2.600 0.900 0.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.28789E-02 ppm1 0.789 ppm2 -0.879 CV 1
OR { 1116}
( segid "PAH " and resid 359 and name HD% )
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1120}
(( segid "PAH " and resid 355 and name HB2 ))
( segid "PAH " and resid 380 and name HD2%)
2.700 0.900 0.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.43041E-02 ppm1 0.794 ppm2 2.028 CV 1
OR { 1120}
(( segid "PAH " and resid 381 and name HG2 ))
( segid "PAH " and resid 380 and name HD2%)
OR { 1120}
(( segid "PAH " and resid 381 and name HG1 ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1127}
(( segid "PAH " and resid 324 and name HA ))
( segid "PAH " and resid 365 and name HD1%)
2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.43041E-02 ppm1 0.809 ppm2 3.703 CV 1
OR { 1127}
(( segid "PAH " and resid 355 and name HA ))
( segid "PAH " and resid 380 and name HD2%)
OR { 1127}
(( segid "PAH " and resid 381 and name HD1 ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1133}
(( segid "PAH " and resid 376 and name HZ ))
( segid "PAH " and resid 380 and name HD2%)
3.100 1.200 1.200 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.12599E-02 ppm1 0.793 ppm2 -1.184 CV 1
OR { 1133}
( segid "PAH " and resid 359 and name HE% )
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1149}
(( segid "PAH " and resid 377 and name HA1 ))
( segid "PAH " and resid 380 and name HD1%)
3.200 1.300 1.300 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.21264E-02 ppm1 0.798 ppm2 4.087 CV 1
OR { 1149}
(( segid "PAH " and resid 356 and name HA ))
( segid "PAH " and resid 380 and name HD1%)
ASSI { 1151}
(( segid "PAH " and resid 355 and name HA ))
( segid "PAH " and resid 380 and name HD1%)
3.600 1.600 1.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.73827E-03 ppm1 0.790 ppm2 3.709 CV 1
OR { 1151}
(( segid "PAH " and resid 381 and name HD1 ))
( segid "PAH " and resid 380 and name HD1%)
ASSI { 1164}
( segid "PAH " and resid 359 and name HD% )
( segid "PAH " and resid 380 and name HD1%)
2.800 1.000 1.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.20637E-02 ppm1 0.793 ppm2 -0.889 CV 1
OR { 1164}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 380 and name HD1%)
ASSI { 1166}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 365 and name HD1%)
3.000 1.100 1.100 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.15335E-02 ppm1 0.794 ppm2 -1.144 CV 1
OR { 1166}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 365 and name HD1%)
OR { 1166}
( segid "PAH " and resid 359 and name HE% )
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1172}
( segid "PAH " and resid 310 and name HD% )
( segid "PAH " and resid 332 and name HD1%)
3.800 1.800 1.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.45892E-03 ppm1 0.544 ppm2 -0.991 CV 1
OR { 1172}
( segid "PAH " and resid 310 and name HD% )
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1173}
( segid "PAH " and resid 318 and name HE% )
( segid "PAH " and resid 372 and name HD1%)
2.900 1.100 1.100 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 0.561 ppm2 -1.099 CV 1
OR { 1173}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 332 and name HD1%)
ASSI { 1174}
(( segid "PAH " and resid 376 and name HZ ))
( segid "PAH " and resid 332 and name HD1%)
2.900 1.100 1.100 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.18471E-02 ppm1 0.565 ppm2 -1.190 CV 1
OR { 1174}
( segid "PAH " and resid 366 and name HE% )
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1175}
(( segid "PAH " and resid 359 and name HA ))
( segid "PAH " and resid 358 and name HG2%)
3.700 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.10461E-02 ppm1 0.730 ppm2 3.886 CV 1
OR { 1175}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 358 and name HG2%)
ASSI { 1176}
(( segid "PAH " and resid 355 and name HA ))
( segid "PAH " and resid 358 and name HG2%)
3.500 1.500 1.500 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.82950E-03 ppm1 0.728 ppm2 3.731 CV 1
OR { 1176}
(( segid "PAH " and resid 331 and name HA ))
( segid "PAH " and resid 358 and name HG2%)
ASSI { 1201}
( segid "PAH " and resid 373 and name HD1%)
( segid "PAH " and resid 362 and name HG2%)
3.200 1.300 1.300 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.78674E-03 ppm1 -0.151 ppm2 0.960 CV 1
OR { 1201}
( segid "PAH " and resid 353 and name HD1%)
( segid "PAH " and resid 362 and name HG2%)
ASSI { 1202}
( segid "PAH " and resid 363 and name HB% )
( segid "PAH " and resid 362 and name HG2%)
3.700 1.700 1.700 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.32780E-03 ppm1 -0.148 ppm2 1.185 CV 1
OR { 1202}
(( segid "PAH " and resid 329 and name HB2 ))
( segid "PAH " and resid 362 and name HG2%)
ASSI { 1207}
(( segid "PAH " and resid 359 and name HA ))
( segid "PAH " and resid 362 and name HG2%)
3.600 1.600 1.600 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.59288E-03 ppm1 -0.154 ppm2 3.879 CV 1
OR { 1207}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 362 and name HG2%)
ASSI { 1256}
(( segid "PAH " and resid 353 and name HG ))
( segid "PAH " and resid 353 and name HD1%)
1.900 0.500 0.500 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.19810E-01 ppm1 0.910 ppm2 1.652 CV 1
OR { 1256}
(( segid "PAH " and resid 296 and name HG ))
( segid "PAH " and resid 296 and name HD1%)
OR { 1256}
(( segid "PAH " and resid 353 and name HG ))
( segid "PAH " and resid 353 and name HD2%)
OR { 1256}
(( segid "PAH " and resid 353 and name HB1 ))
( segid "PAH " and resid 353 and name HD2%)
OR { 1256}
(( segid "PAH " and resid 296 and name HB1 ))
( segid "PAH " and resid 296 and name HD1%)
ASSI { 1257}
(( segid "PAH " and resid 353 and name HB1 ))
( segid "PAH " and resid 353 and name HD1%)
2.300 0.600 0.600 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.77531E-02 ppm1 0.962 ppm2 1.702 CV 1
OR { 1257}
(( segid "PAH " and resid 373 and name HB2 ))
( segid "PAH " and resid 373 and name HD1%)
ASSI { 1259}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HB2 ))
2.100 0.600 0.600 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.96912E-02 ppm1 1.856 ppm2 1.360 CV 1
OR { 1259}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 337 and name HB1 ))
OR { 1259}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 337 and name HB2 ))
OR { 1259}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HB1 ))
ASSI { 1260}
(( segid "PAH " and resid 326 and name HG1 ))
(( segid "PAH " and resid 326 and name HB1 ))
2.000 0.500 0.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.16617E-01 ppm1 1.859 ppm2 1.577 CV 1
OR { 1260}
(( segid "PAH " and resid 326 and name HG1 ))
(( segid "PAH " and resid 326 and name HB2 ))
OR { 1260}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 337 and name HB2 ))
OR { 1260}
(( segid "PAH " and resid 337 and name HD2 ))
(( segid "PAH " and resid 337 and name HB1 ))
OR { 1260}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 337 and name HB1 ))
ASSI { 1266}
( segid "PAH " and resid 314 and name HD1%)
( segid "PAH " and resid 372 and name HD2%)
3.200 3.200 2.800 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.12199E-02 ppm1 0.219 ppm2 -0.011 CV 1
OR { 1266}
(( segid "PAH " and resid 310 and name HH ))
( segid "PAH " and resid 372 and name HD2%)
OR { 1266}
(( segid "PAH " and resid 372 and name HN ))
( segid "PAH " and resid 372 and name HD2%)
OR { 1266}
( segid "PAH " and resid 313 and name HZ% )
( segid "PAH " and resid 372 and name HD2%)
ASSI { 1275}
(( segid "PAH " and resid 313 and name HE1 ))
( segid "PAH " and resid 372 and name HD2%)
3.400 1.400 1.400 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.73538E-03 ppm1 0.216 ppm2 2.989 CV 1
OR { 1275}
(( segid "PAH " and resid 328 and name HB2 ))
( segid "PAH " and resid 372 and name HD2%)
ASSI { 1290}
(( segid "PAH " and resid 315 and name HB2 ))
(( segid "PAH " and resid 315 and name HG2 ))
2.100 0.500 0.500 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.16617E-01 ppm1 0.733 ppm2 1.527 CV 1
OR { 1290}
( segid "PAH " and resid 327 and name HB% )
( segid "PAH " and resid 365 and name HD2%)
ASSI { 1292}
(( segid "PAH " and resid 351 and name HG1 ))
( segid "PAH " and resid 354 and name HG2%)
3.200 1.300 1.300 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.98055E-03 ppm1 1.333 ppm2 2.078 CV 1
OR { 1292}
(( segid "PAH " and resid 357 and name HB2 ))
( segid "PAH " and resid 354 and name HG2%)
ASSI { 1293}
(( segid "PAH " and resid 357 and name HB1 ))
( segid "PAH " and resid 354 and name HG2%)
3.100 1.200 1.200 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.14765E-02 ppm1 1.340 ppm2 2.309 CV 1
OR { 1293}
(( segid "PAH " and resid 351 and name HB1 ))
( segid "PAH " and resid 354 and name HG2%)
ASSI { 1300}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 328 and name HB2 ))
3.100 1.200 1.200 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.98337E-03 ppm1 3.013 ppm2 0.792 CV 1
OR { 1300}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 328 and name HB2 ))
ASSI { 1302}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 362 and name HB ))
3.800 1.800 1.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.67554E-03 ppm1 1.447 ppm2 0.716 CV 1
OR { 1302}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 362 and name HB ))
ASSI { 1305}
(( segid "PAH " and resid 321 and name HG1 ))
(( segid "PAH " and resid 324 and name HG11))
3.800 1.800 1.800 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.34490E-03 ppm1 1.543 ppm2 2.435 CV 1
OR { 1305}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 317 and name HB1 ))
ASSI { 1313}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 369 and name HB2 ))
2.900 2.900 3.100 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.18471E-02 ppm1 1.863 ppm2 4.047 CV 1
OR { 1313}
(( segid "PAH " and resid 376 and name HB1 ))
(( segid "PAH " and resid 373 and name HG ))
OR { 1313}
(( segid "PAH " and resid 374 and name HB2 ))
(( segid "PAH " and resid 373 and name HG ))
OR { 1313}
(( segid "PAH " and resid 374 and name HB1 ))
(( segid "PAH " and resid 373 and name HG ))
OR { 1313}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 369 and name HB1 ))
OR { 1313}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 373 and name HG ))
ASSI { 1320}
(( segid "PAH " and resid 295 and name HA ))
( segid "PAH " and resid 296 and name HD1%)
3.300 1.300 1.300 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.12199E-02 ppm1 0.917 ppm2 4.136 CV 1
OR { 1320}
(( segid "PAH " and resid 338 and name HA ))
( segid "PAH " and resid 353 and name HD2%)
OR { 1320}
(( segid "PAH " and resid 338 and name HA ))
( segid "PAH " and resid 353 and name HD1%)
ASSI { 1328}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 326 and name HG1 ))
4.400 2.400 1.600 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.24884E-03 ppm1 1.580 ppm2 4.380 CV 1
OR { 1328}
(( segid "PAH " and resid 312 and name HA ))
(( segid "PAH " and resid 313 and name HG1 ))
ASSI { 1340}
(( segid "PAH " and resid 324 and name HA ))
( segid "PAH " and resid 365 and name HD1%)
2.600 0.800 0.800 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.50737E-02 ppm1 0.792 ppm2 3.695 CV 1
OR { 1340}
(( segid "PAH " and resid 381 and name HD1 ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1341}
(( segid "PAH " and resid 315 and name HA ))
(( segid "PAH " and resid 315 and name HG2 ))
2.900 1.100 1.100 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.15706E-02 ppm1 0.732 ppm2 3.021 CV 1
OR { 1341}
(( segid "PAH " and resid 328 and name HB2 ))
( segid "PAH " and resid 365 and name HD2%)
ASSI { 1350}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 361 and name HB1 ))
3.300 1.300 1.300 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.10774E-02 ppm1 2.091 ppm2 0.752 CV 1
OR { 1350}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 361 and name HB1 ))
OR { 1350}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 361 and name HB1 ))
OR { 1350}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 319 and name HB2 ))
OR { 1350}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 361 and name HB1 ))
ASSI { 1351}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 361 and name HB2 ))
3.100 1.200 1.200 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.10204E-02 ppm1 2.003 ppm2 0.750 CV 1
OR { 1351}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 361 and name HB2 ))
ASSI { 1352}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 361 and name HB2 ))
3.300 1.300 1.300 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.93208E-03 ppm1 1.998 ppm2 0.790 CV 1
OR { 1352}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 355 and name HB2 ))
OR { 1352}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 355 and name HB2 ))
ASSI { 1357}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 370 and name HB1 ))
3.000 1.100 1.100 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.12513E-02 ppm1 2.122 ppm2 0.798 CV 1
OR { 1357}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 357 and name HB2 ))
OR { 1357}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 370 and name HB2 ))
OR { 1357}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 357 and name HB2 ))
OR { 1357}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 330 and name HB2 ))
OR { 1357}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 330 and name HB1 ))
OR { 1357}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 330 and name HB2 ))
OR { 1357}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 338 and name HB2 ))
ASSI { 1369}
( segid "PAH " and resid 328 and name HE% )
(( segid "PAH " and resid 328 and name HB2 ))
4.600 2.600 1.400 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.22090E-03 ppm1 2.996 ppm2 -0.958 CV 1
OR { 1369}
( segid "PAH " and resid 325 and name HD% )
(( segid "PAH " and resid 328 and name HB2 ))
ASSI { 1373}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 346 and name HA1 ))
3.900 1.900 1.900 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.46177E-03 ppm1 4.043 ppm2 1.427 CV 1
OR { 1373}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 347 and name HA1 ))
ASSI { 1374}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 346 and name HA2 ))
3.900 1.900 1.900 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.46747E-03 ppm1 3.898 ppm2 1.426 CV 1
OR { 1374}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 347 and name HA2 ))
OR { 1374}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 347 and name HA2 ))
ASSI { 1384}
(( segid "PAH " and resid 351 and name HG2 ))
( segid "PAH " and resid 342 and name HB% )
3.000 1.100 1.100 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.36200E-02 ppm1 1.435 ppm2 1.939 CV 1
OR { 1384}
(( segid "PAH " and resid 343 and name HB2 ))
( segid "PAH " and resid 342 and name HB% )
ASSI { 1385}
(( segid "PAH " and resid 351 and name HB2 ))
( segid "PAH " and resid 342 and name HB% )
3.000 1.200 1.200 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.35630E-02 ppm1 1.435 ppm2 1.863 CV 1
OR { 1385}
(( segid "PAH " and resid 339 and name HB2 ))
( segid "PAH " and resid 342 and name HB% )
ASSI { 1394}
(( segid "PAH " and resid 341 and name HA ))
( segid "PAH " and resid 342 and name HB% )
3.600 1.600 1.600 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.92354E-03 ppm1 1.437 ppm2 4.339 CV 1
OR { 1394}
(( segid "PAH " and resid 345 and name HA ))
( segid "PAH " and resid 342 and name HB% )
ASSI { 4}
(( segid "SID " and resid 370 and name HA ))
( segid "SID " and resid 369 and name HG1%)
3.600 1.600 1.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.80382E-03 ppm1 3.993 ppm2 1.240 CV 1
OR { 4}
(( segid "SID " and resid 366 and name HA ))
( segid "SID " and resid 369 and name HG1%)
ASSI { 8}
(( segid "SID " and resid 366 and name HA ))
( segid "SID " and resid 366 and name HB% )
2.400 0.700 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.67363E-02 ppm1 3.994 ppm2 1.595 CV 1
OR { 8}
(( segid "SID " and resid 370 and name HA ))
(( segid "SID " and resid 370 and name HB2 ))
ASSI { 10}
(( segid "SID " and resid 366 and name HA ))
(( segid "SID " and resid 369 and name HB ))
3.300 1.400 1.400 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11661E-02 ppm1 4.000 ppm2 2.170 CV 1
OR { 10}
(( segid "SID " and resid 370 and name HA ))
(( segid "SID " and resid 369 and name HB ))
ASSI { 14}
(( segid "SID " and resid 374 and name HA ))
(( segid "SID " and resid 377 and name HB2 ))
4.000 2.000 2.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.41323E-03 ppm1 4.114 ppm2 1.766 CV 1
OR { 14}
(( segid "SID " and resid 374 and name HA ))
(( segid "SID " and resid 375 and name HG1 ))
ASSI { 15}
(( segid "SID " and resid 374 and name HA ))
(( segid "SID " and resid 377 and name HB1 ))
4.100 2.100 1.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.52305E-03 ppm1 4.111 ppm2 1.925 CV 1
OR { 15}
(( segid "SID " and resid 374 and name HA ))
(( segid "SID " and resid 375 and name HB2 ))
OR { 15}
(( segid "SID " and resid 373 and name HA ))
(( segid "SID " and resid 375 and name HB2 ))
ASSI { 26}
(( segid "SID " and resid 377 and name HA ))
(( segid "SID " and resid 377 and name HB1 ))
2.000 0.500 0.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.18511E-01 ppm1 4.338 ppm2 1.914 CV 1
OR { 26}
(( segid "SID " and resid 378 and name HA ))
(( segid "SID " and resid 378 and name HB1 ))
ASSI { 28}
(( segid "SID " and resid 377 and name HA ))
(( segid "SID " and resid 377 and name HG2 ))
2.200 0.600 0.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.12963E-01 ppm1 4.335 ppm2 1.662 CV 1
OR { 28}
(( segid "SID " and resid 377 and name HA ))
(( segid "SID " and resid 377 and name HG1 ))
OR { 28}
(( segid "SID " and resid 378 and name HA ))
(( segid "SID " and resid 378 and name HG1 ))
OR { 28}
(( segid "SID " and resid 378 and name HA ))
(( segid "SID " and resid 378 and name HG2 ))
ASSI { 35}
(( segid "SID " and resid 371 and name HA ))
( segid "SID " and resid 374 and name HB% )
3.100 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.16756E-02 ppm1 4.253 ppm2 1.573 CV 1
OR { 35}
(( segid "SID " and resid 375 and name HA ))
( segid "SID " and resid 374 and name HB% )
ASSI { 41}
(( segid "SID " and resid 378 and name HD1 ))
(( segid "SID " and resid 378 and name HB1 ))
2.600 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.46418E-02 ppm1 3.212 ppm2 1.909 CV 1
OR { 41}
(( segid "SID " and resid 378 and name HD2 ))
(( segid "SID " and resid 378 and name HB1 ))
OR { 41}
(( segid "SID " and resid 375 and name HD1 ))
(( segid "SID " and resid 375 and name HB2 ))
OR { 41}
(( segid "SID " and resid 375 and name HD2 ))
(( segid "SID " and resid 375 and name HB2 ))
ASSI { 42}
(( segid "SID " and resid 375 and name HD1 ))
(( segid "SID " and resid 375 and name HG1 ))
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.55985E-02 ppm1 3.215 ppm2 1.806 CV 1
OR { 42}
(( segid "SID " and resid 375 and name HD2 ))
(( segid "SID " and resid 375 and name HG1 ))
OR { 42}
(( segid "SID " and resid 378 and name HD1 ))
(( segid "SID " and resid 378 and name HB2 ))
ASSI { 43}
(( segid "SID " and resid 378 and name HD2 ))
(( segid "SID " and resid 378 and name HG1 ))
2.100 0.500 0.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.15680E-01 ppm1 3.213 ppm2 1.683 CV 1
OR { 43}
(( segid "SID " and resid 378 and name HD1 ))
(( segid "SID " and resid 378 and name HG2 ))
OR { 43}
(( segid "SID " and resid 378 and name HD2 ))
(( segid "SID " and resid 378 and name HG2 ))
OR { 43}
(( segid "SID " and resid 378 and name HD1 ))
(( segid "SID " and resid 378 and name HG1 ))
OR { 43}
(( segid "SID " and resid 375 and name HD1 ))
(( segid "SID " and resid 375 and name HG2 ))
ASSI { 56}
( segid "SID " and resid 366 and name HB% )
( segid "SID " and resid 370 and name HD2%)
2.900 1.000 1.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.29492E-02 ppm1 1.572 ppm2 0.580 CV 1
OR { 56}
( segid "SID " and resid 373 and name HE% )
( segid "SID " and resid 370 and name HD2%)
ASSI { 58}
( segid "SID " and resid 366 and name HB% )
( segid "SID " and resid 370 and name HD1%)
2.900 1.100 1.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.22417E-02 ppm1 1.572 ppm2 0.683 CV 1
OR { 58}
( segid "SID " and resid 373 and name HE% )
( segid "SID " and resid 370 and name HD1%)
ASSI { 1}
(( segid "PAH " and resid 347 and name HA2 ))
(( segid "PAH " and resid 347 and name HN ))
2.300 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.94496E-02 ppm1 8.262 ppm2 3.889 CV 1
OR { 1}
(( segid "PAH " and resid 346 and name HA2 ))
(( segid "PAH " and resid 347 and name HN ))
ASSI { 2}
(( segid "PAH " and resid 347 and name HA1 ))
(( segid "PAH " and resid 347 and name HN ))
2.300 0.700 0.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.75597E-02 ppm1 8.260 ppm2 4.045 CV 1
OR { 2}
(( segid "PAH " and resid 346 and name HA1 ))
(( segid "PAH " and resid 347 and name HN ))
ASSI { 46}
(( segid "PAH " and resid 320 and name HA1 ))
(( segid "PAH " and resid 320 and name HN ))
3.100 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.12000E-02 ppm1 8.864 ppm2 4.247 CV 1
OR { 46}
(( segid "PAH " and resid 352 and name HA ))
(( segid "PAH " and resid 352 and name HN ))
ASSI { 49}
(( segid "PAH " and resid 338 and name HG1 ))
(( segid "PAH " and resid 352 and name HN ))
3.400 1.400 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.74337E-03 ppm1 8.866 ppm2 2.438 CV 1
OR { 49}
(( segid "PAH " and resid 319 and name HG2 ))
(( segid "PAH " and resid 320 and name HN ))
OR { 49}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 320 and name HN ))
ASSI { 55}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 319 and name HN ))
3.100 1.200 1.200 peak 55 spectrum 1 weight 0.10000E+01 volume 0.23088E-02 ppm1 7.177 ppm2 2.441 CV 1
OR { 55}
(( segid "PAH " and resid 319 and name HG2 ))
(( segid "PAH " and resid 319 and name HN ))
OR { 55}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 319 and name HN ))
ASSI { 69}
(( segid "PAH " and resid 334 and name HN ))
(( segid "PAH " and resid 335 and name HN ))
3.000 1.200 1.200 peak 69 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 8.129 ppm2 8.596 CV 1
OR { 69}
(( segid "PAH " and resid 374 and name HN ))
(( segid "PAH " and resid 373 and name HN ))
ASSI { 71}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 373 and name HN ))
3.100 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.12630E-02 ppm1 8.130 ppm2 4.404 CV 1
OR { 71}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 373 and name HN ))
ASSI { 75}
(( segid "PAH " and resid 373 and name HG ))
(( segid "PAH " and resid 373 and name HN ))
3.500 1.500 1.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.86619E-03 ppm1 8.133 ppm2 1.868 CV 1
OR { 75}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 373 and name HN ))
OR { 75}
(( segid "PAH " and resid 369 and name HB2 ))
(( segid "PAH " and resid 373 and name HN ))
ASSI { 77}
( segid "PAH " and resid 373 and name HD1%)
(( segid "PAH " and resid 373 and name HN ))
3.600 1.600 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.64256E-03 ppm1 8.141 ppm2 0.940 CV 1
OR { 77}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 335 and name HN ))
ASSI { 80}
(( segid "PAH " and resid 343 and name HB2 ))
(( segid "PAH " and resid 342 and name HN ))
3.200 1.300 1.300 peak 80 spectrum 1 weight 0.10000E+01 volume 0.24474E-02 ppm1 7.935 ppm2 1.916 CV 1
OR { 80}
(( segid "PAH " and resid 343 and name HB1 ))
(( segid "PAH " and resid 342 and name HN ))
OR { 80}
(( segid "PAH " and resid 340 and name HB1 ))
(( segid "PAH " and resid 342 and name HN ))
ASSI { 83}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 342 and name HN ))
2.400 0.700 0.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.54177E-02 ppm1 7.939 ppm2 3.914 CV 1
OR { 83}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 342 and name HN ))
ASSI { 84}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 342 and name HN ))
3.500 1.500 1.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.93552E-03 ppm1 7.935 ppm2 4.149 CV 1
OR { 84}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 342 and name HN ))
ASSI { 94}
(( segid "PAH " and resid 331 and name HA ))
(( segid "PAH " and resid 331 and name HN ))
2.600 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.32758E-02 ppm1 7.875 ppm2 3.703 CV 1
OR { 94}
(( segid "PAH " and resid 324 and name HA ))
(( segid "PAH " and resid 324 and name HN ))
ASSI { 97}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 324 and name HN ))
3.800 1.800 1.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.11748E-02 ppm1 7.863 ppm2 0.793 CV 1
OR { 97}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 331 and name HN ))
ASSI { 110}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 327 and name HN ))
3.400 1.400 1.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.48192E-03 ppm1 7.690 ppm2 0.729 CV 1
OR { 110}
( segid "PAH " and resid 329 and name HD1%)
(( segid "PAH " and resid 327 and name HN ))
OR { 110}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 327 and name HN ))
ASSI { 112}
(( segid "PAH " and resid 354 and name HA ))
(( segid "PAH " and resid 357 and name HN ))
3.900 1.900 1.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.69297E-03 ppm1 7.749 ppm2 4.660 CV 1
OR { 112}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 357 and name HN ))
ASSI { 116}
(( segid "PAH " and resid 357 and name HB2 ))
(( segid "PAH " and resid 357 and name HN ))
2.300 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.62051E-02 ppm1 7.745 ppm2 2.091 CV 1
OR { 116}
(( segid "PAH " and resid 356 and name HB1 ))
(( segid "PAH " and resid 357 and name HN ))
ASSI { 122}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 363 and name HN ))
3.700 1.700 1.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.95439E-03 ppm1 8.732 ppm2 0.810 CV 1
OR { 122}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 363 and name HN ))
ASSI { 152}
(( segid "PAH " and resid 347 and name HA2 ))
(( segid "PAH " and resid 349 and name HN ))
3.300 1.400 1.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.13702E-02 ppm1 7.936 ppm2 3.893 CV 1
OR { 152}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 349 and name HN ))
ASSI { 163}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 345 and name HN ))
3.700 1.700 1.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.52287E-03 ppm1 7.812 ppm2 3.931 CV 1
OR { 163}
(( segid "PAH " and resid 346 and name HA2 ))
(( segid "PAH " and resid 345 and name HN ))
ASSI { 164}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 345 and name HN ))
2.700 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.35278E-02 ppm1 7.811 ppm2 4.142 CV 1
OR { 164}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 345 and name HN ))
ASSI { 169}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 358 and name HN ))
4.800 2.800 1.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.14520E-03 ppm1 8.207 ppm2 1.534 CV 1
OR { 169}
(( segid "PAH " and resid 353 and name HB2 ))
(( segid "PAH " and resid 358 and name HN ))
ASSI { 171}
(( segid "PAH " and resid 357 and name HB2 ))
(( segid "PAH " and resid 358 and name HN ))
3.000 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.24632E-02 ppm1 8.213 ppm2 2.076 CV 1
OR { 171}
(( segid "PAH " and resid 300 and name HB2 ))
(( segid "PAH " and resid 300 and name HN ))
ASSI { 173}
(( segid "PAH " and resid 300 and name HG2 ))
(( segid "PAH " and resid 300 and name HN ))
2.700 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.25136E-02 ppm1 8.213 ppm2 2.319 CV 1
OR { 173}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 358 and name HN ))
ASSI { 179}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 358 and name HN ))
3.300 1.400 1.400 peak 179 spectrum 1 weight 0.10000E+01 volume 0.14016E-02 ppm1 8.205 ppm2 4.673 CV 1
OR { 179}
(( segid "PAH " and resid 354 and name HA ))
(( segid "PAH " and resid 358 and name HN ))
ASSI { 183}
(( segid "PAH " and resid 328 and name HA ))
(( segid "PAH " and resid 328 and name HN ))
2.600 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.40002E-02 ppm1 8.000 ppm2 3.885 CV 1
OR { 183}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 196}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 375 and name HN ))
3.300 1.300 1.300 peak 196 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 7.869 ppm2 4.350 CV 1
OR { 196}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 376 and name HN ))
ASSI { 197}
(( segid "PAH " and resid 376 and name HB1 ))
(( segid "PAH " and resid 376 and name HN ))
2.400 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.59846E-02 ppm1 7.867 ppm2 4.071 CV 1
OR { 197}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 375 and name HN ))
OR { 197}
(( segid "PAH " and resid 374 and name HB1 ))
(( segid "PAH " and resid 375 and name HN ))
OR { 197}
(( segid "PAH " and resid 374 and name HB2 ))
(( segid "PAH " and resid 375 and name HN ))
ASSI { 198}
(( segid "PAH " and resid 375 and name HG1 ))
(( segid "PAH " and resid 375 and name HN ))
3.900 1.900 1.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.41892E-03 ppm1 7.876 ppm2 2.444 CV 1
OR { 198}
(( segid "PAH " and resid 375 and name HG1 ))
(( segid "PAH " and resid 376 and name HN ))
ASSI { 199}
(( segid "PAH " and resid 375 and name HB1 ))
(( segid "PAH " and resid 375 and name HN ))
3.200 1.300 1.300 peak 199 spectrum 1 weight 0.10000E+01 volume 0.17639E-02 ppm1 7.865 ppm2 2.218 CV 1
OR { 199}
(( segid "PAH " and resid 375 and name HB1 ))
(( segid "PAH " and resid 376 and name HN ))
ASSI { 200}
(( segid "PAH " and resid 375 and name HB2 ))
(( segid "PAH " and resid 375 and name HN ))
2.500 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.33388E-02 ppm1 7.865 ppm2 2.117 CV 1
OR { 200}
(( segid "PAH " and resid 375 and name HB2 ))
(( segid "PAH " and resid 376 and name HN ))
ASSI { 203}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 367 and name HN ))
2.600 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.34963E-02 ppm1 7.013 ppm2 1.871 CV 1
OR { 203}
(( segid "PAH " and resid 369 and name HB2 ))
(( segid "PAH " and resid 367 and name HN ))
ASSI { 210}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 372 and name HN ))
2.900 1.100 1.100 peak 210 spectrum 1 weight 0.10000E+01 volume 0.17860E-02 ppm1 7.755 ppm2 4.380 CV 1
OR { 210}
(( segid "PAH " and resid 371 and name HA ))
(( segid "PAH " and resid 372 and name HN ))
ASSI { 234}
(( segid "PAH " and resid 365 and name HG ))
(( segid "PAH " and resid 365 and name HN ))
3.200 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.18174E-02 ppm1 7.433 ppm2 1.578 CV 1
OR { 234}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 365 and name HN ))
ASSI { 237}
(( segid "PAH " and resid 365 and name HA ))
(( segid "PAH " and resid 365 and name HN ))
2.800 0.900 0.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.27277E-02 ppm1 7.431 ppm2 4.028 CV 1
OR { 237}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 365 and name HN ))
ASSI { 241}
(( segid "PAH " and resid 369 and name HA ))
(( segid "PAH " and resid 369 and name HN ))
2.600 0.800 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.40002E-02 ppm1 8.086 ppm2 4.799 CV 1
OR { 241}
(( segid "PAH " and resid 368 and name HA ))
(( segid "PAH " and resid 369 and name HN ))
ASSI { 253}
(( segid "PAH " and resid 328 and name HA ))
(( segid "PAH " and resid 328 and name HN ))
2.200 0.600 0.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.10174E-01 ppm1 8.019 ppm2 3.871 CV 1
OR { 253}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
OR { 253}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
OR { 253}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 340 and name HN ))
ASSI { 256}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 337 and name HN ))
1.900 0.500 0.500 peak 256 spectrum 1 weight 0.10000E+01 volume 0.26112E-01 ppm1 7.997 ppm2 1.884 CV 1
OR { 256}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 340 and name HN ))
OR { 256}
(( segid "PAH " and resid 340 and name HB1 ))
(( segid "PAH " and resid 340 and name HN ))
ASSI { 277}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 376 and name HN ))
3.500 1.500 1.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.76540E-03 ppm1 7.918 ppm2 4.395 CV 1
OR { 277}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 376 and name HN ))
OR { 277}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 376 and name HN ))
ASSI { 290}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
3.100 1.200 1.200 peak 290 spectrum 1 weight 0.10000E+01 volume 0.14678E-02 ppm1 7.998 ppm2 3.875 CV 1
OR { 290}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 296}
(( segid "PAH " and resid 360 and name HA ))
(( segid "PAH " and resid 360 and name HN ))
2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.30836E-02 ppm1 7.998 ppm2 3.990 CV 1
OR { 296}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 314 and name HN ))
ASSI { 300}
(( segid "PAH " and resid 298 and name HB1 ))
(( segid "PAH " and resid 298 and name HN ))
3.700 1.700 1.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.62051E-03 ppm1 8.397 ppm2 2.820 CV 1
OR { 300}
(( segid "PAH " and resid 315 and name HE1 ))
(( segid "PAH " and resid 315 and name HN ))
ASSI { 303}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 315 and name HN ))
4.000 2.000 2.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.50712E-03 ppm1 8.372 ppm2 0.756 CV 1
OR { 303}
(( segid "PAH " and resid 315 and name HG2 ))
(( segid "PAH " and resid 315 and name HN ))
ASSI { 311}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 321 and name HN ))
3.400 1.400 1.400 peak 311 spectrum 1 weight 0.10000E+01 volume 0.15466E-02 ppm1 7.726 ppm2 2.463 CV 1
OR { 311}
(( segid "PAH " and resid 321 and name HG1 ))
(( segid "PAH " and resid 321 and name HN ))
ASSI { 313}
(( segid "PAH " and resid 320 and name HA2 ))
(( segid "PAH " and resid 321 and name HN ))
2.900 1.000 1.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.28191E-02 ppm1 7.725 ppm2 3.787 CV 1
OR { 313}
(( segid "PAH " and resid 322 and name HD1 ))
(( segid "PAH " and resid 321 and name HN ))
ASSI { 317}
(( segid "PAH " and resid 321 and name HA ))
(( segid "PAH " and resid 321 and name HN ))
2.700 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.28033E-02 ppm1 7.730 ppm2 4.943 CV 1
OR { 317}
(( segid "PAH " and resid 318 and name HA ))
(( segid "PAH " and resid 321 and name HN ))
ASSI { 320}
(( segid "PAH " and resid 345 and name HN ))
(( segid "PAH " and resid 344 and name HN ))
2.000 0.500 0.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.16284E-01 ppm1 8.055 ppm2 7.806 CV 1
OR { 320}
(( segid "PAH " and resid 343 and name HN ))
(( segid "PAH " and resid 344 and name HN ))
ASSI { 321}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 344 and name HN ))
3.500 1.500 1.500 peak 321 spectrum 1 weight 0.10000E+01 volume 0.77800E-03 ppm1 8.056 ppm2 4.315 CV 1
OR { 321}
(( segid "PAH " and resid 345 and name HA ))
(( segid "PAH " and resid 344 and name HN ))
ASSI { 327}
(( segid "PAH " and resid 344 and name HB2 ))
(( segid "PAH " and resid 344 and name HN ))
1.900 0.400 0.400 peak 327 spectrum 1 weight 0.10000E+01 volume 0.20190E-01 ppm1 8.055 ppm2 1.936 CV 1
OR { 327}
(( segid "PAH " and resid 343 and name HB1 ))
(( segid "PAH " and resid 344 and name HN ))
ASSI { 328}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 344 and name HN ))
3.800 1.800 1.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.62996E-03 ppm1 8.062 ppm2 1.523 CV 1
OR { 328}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 339 and name HN ))
OR { 328}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 344 and name HN ))
ASSI { 329}
(( segid "PAH " and resid 343 and name HG2 ))
(( segid "PAH " and resid 344 and name HN ))
3.100 1.200 1.200 peak 329 spectrum 1 weight 0.10000E+01 volume 0.26301E-02 ppm1 8.056 ppm2 1.426 CV 1
OR { 329}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 344 and name HN ))
OR { 329}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 344 and name HN ))
ASSI { 344}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 343 and name HN ))
3.100 1.200 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.14142E-02 ppm1 7.789 ppm2 3.922 CV 1
OR { 344}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 343 and name HN ))
ASSI { 345}
(( segid "PAH " and resid 377 and name HA1 ))
(( segid "PAH " and resid 377 and name HN ))
2.400 0.700 0.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.53862E-02 ppm1 7.791 ppm2 4.119 CV 1
OR { 345}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 343 and name HN ))
ASSI { 351}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 341 and name HN ))
4.000 2.000 2.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.54807E-03 ppm1 8.272 ppm2 1.434 CV 1
OR { 351}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 341 and name HN ))
ASSI { 356}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 341 and name HN ))
3.000 1.200 1.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.16662E-02 ppm1 8.266 ppm2 3.885 CV 1
OR { 356}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 341 and name HN ))
ASSI { 360}
(( segid "PAH " and resid 342 and name HN ))
(( segid "PAH " and resid 341 and name HN ))
2.200 0.600 0.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.10080E-01 ppm1 8.268 ppm2 7.955 CV 1
OR { 360}
(( segid "PAH " and resid 340 and name HN ))
(( segid "PAH " and resid 341 and name HN ))
ASSI { 371}
( segid "PAH " and resid 376 and name HE% )
(( segid "PAH " and resid 359 and name HN ))
3.700 1.700 1.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.90082E-03 ppm1 8.206 ppm2 7.103 CV 1
OR { 371}
( segid "PAH " and resid 359 and name HD% )
(( segid "PAH " and resid 359 and name HN ))
ASSI { 379}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 348 and name HN ))
3.800 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.72443E-03 ppm1 8.130 ppm2 1.436 CV 1
OR { 379}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 338 and name HN ))
OR { 379}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 339 and name HN ))
ASSI { 381}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 338 and name HN ))
1.800 0.400 0.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.24096E-01 ppm1 8.093 ppm2 1.885 CV 1
OR { 381}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 382}
(( segid "PAH " and resid 338 and name HB2 ))
(( segid "PAH " and resid 338 and name HN ))
2.100 0.600 0.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.11308E-01 ppm1 8.101 ppm2 2.172 CV 1
OR { 382}
(( segid "PAH " and resid 338 and name HB2 ))
(( segid "PAH " and resid 339 and name HN ))
OR { 382}
(( segid "PAH " and resid 338 and name HB1 ))
(( segid "PAH " and resid 338 and name HN ))
ASSI { 384}
(( segid "PAH " and resid 338 and name HG1 ))
(( segid "PAH " and resid 338 and name HN ))
3.300 1.400 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.26931E-02 ppm1 8.106 ppm2 2.472 CV 1
OR { 384}
(( segid "PAH " and resid 339 and name HG1 ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 387}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 339 and name HN ))
2.400 0.700 0.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.75913E-02 ppm1 8.116 ppm2 3.882 CV 1
OR { 387}
(( segid "PAH " and resid 347 and name HA2 ))
(( segid "PAH " and resid 348 and name HN ))
OR { 387}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 338 and name HN ))
ASSI { 388}
(( segid "PAH " and resid 347 and name HA1 ))
(( segid "PAH " and resid 348 and name HN ))
2.600 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.37168E-02 ppm1 8.119 ppm2 4.054 CV 1
OR { 388}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 338 and name HN ))
OR { 388}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 389}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 338 and name HN ))
2.400 0.700 0.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.61421E-02 ppm1 8.099 ppm2 4.156 CV 1
OR { 389}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 390}
(( segid "PAH " and resid 349 and name HN ))
(( segid "PAH " and resid 348 and name HN ))
2.300 0.700 0.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.65201E-02 ppm1 8.116 ppm2 7.941 CV 1
OR { 390}
(( segid "PAH " and resid 340 and name HN ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 395}
(( segid "PAH " and resid 299 and name HB2 ))
(( segid "PAH " and resid 299 and name HN ))
3.000 1.100 1.100 peak 395 spectrum 1 weight 0.10000E+01 volume 0.19277E-02 ppm1 8.388 ppm2 2.756 CV 1
OR { 395}
(( segid "PAH " and resid 298 and name HB1 ))
(( segid "PAH " and resid 299 and name HN ))
OR { 395}
(( segid "PAH " and resid 298 and name HB2 ))
(( segid "PAH " and resid 299 and name HN ))
ASSI { 397}
(( segid "PAH " and resid 299 and name HB1 ))
(( segid "PAH " and resid 299 and name HN ))
3.100 1.200 1.200 peak 397 spectrum 1 weight 0.10000E+01 volume 0.16064E-02 ppm1 8.387 ppm2 2.810 CV 1
OR { 397}
(( segid "PAH " and resid 298 and name HB1 ))
(( segid "PAH " and resid 299 and name HN ))
ASSI { 420}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 323 and name HN ))
4.500 2.500 1.500 peak 420 spectrum 1 weight 0.10000E+01 volume 0.19182E-03 ppm1 9.012 ppm2 2.466 CV 1
OR { 420}
(( segid "PAH " and resid 321 and name HG1 ))
(( segid "PAH " and resid 323 and name HN ))
ASSI { 434}
(( segid "PAH " and resid 356 and name HG1 ))
(( segid "PAH " and resid 356 and name HN ))
3.000 1.100 1.100 peak 434 spectrum 1 weight 0.10000E+01 volume 0.21670E-02 ppm1 8.358 ppm2 2.507 CV 1
OR { 434}
(( segid "PAH " and resid 356 and name HG2 ))
(( segid "PAH " and resid 356 and name HN ))
OR { 434}
(( segid "PAH " and resid 355 and name HG1 ))
(( segid "PAH " and resid 356 and name HN ))
ASSI { 441}
(( segid "PAH " and resid 355 and name HG2 ))
(( segid "PAH " and resid 356 and name HN ))
3.400 1.400 1.400 peak 441 spectrum 1 weight 0.10000E+01 volume 0.13292E-02 ppm1 8.358 ppm2 2.314 CV 1
OR { 441}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 356 and name HN ))
ASSI { 449}
(( segid "PAH " and resid 377 and name HA1 ))
(( segid "PAH " and resid 378 and name HN ))
3.000 1.100 1.100 peak 449 spectrum 1 weight 0.10000E+01 volume 0.13576E-02 ppm1 7.462 ppm2 4.082 CV 1
OR { 449}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 378 and name HN ))
ASSI { 452}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 361 and name HN ))
2.600 0.900 0.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.34648E-02 ppm1 8.078 ppm2 3.943 CV 1
OR { 452}
(( segid "PAH " and resid 360 and name HA ))
(( segid "PAH " and resid 361 and name HN ))
ASSI { 458}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 361 and name HN ))
4.300 2.300 1.700 peak 458 spectrum 1 weight 0.10000E+01 volume 0.44412E-03 ppm1 8.072 ppm2 0.698 CV 1
OR { 458}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 361 and name HN ))
ASSI { 470}
(( segid "PAH " and resid 331 and name HB ))
(( segid "PAH " and resid 332 and name HN ))
3.300 1.400 1.400 peak 470 spectrum 1 weight 0.10000E+01 volume 0.81263E-03 ppm1 7.171 ppm2 1.708 CV 1
OR { 470}
(( segid "PAH " and resid 332 and name HB1 ))
(( segid "PAH " and resid 332 and name HN ))
ASSI { 508}
(( segid "PAH " and resid 373 and name HB1 ))
(( segid "PAH " and resid 374 and name HN ))
3.200 1.300 1.300 peak 508 spectrum 1 weight 0.10000E+01 volume 0.12977E-02 ppm1 8.607 ppm2 2.145 CV 1
OR { 508}
(( segid "PAH " and resid 375 and name HB2 ))
(( segid "PAH " and resid 374 and name HN ))
ASSI { 514}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 364 and name HN ))
2.800 1.000 1.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.26269E-02 ppm1 7.122 ppm2 3.942 CV 1
OR { 514}
(( segid "PAH " and resid 360 and name HA ))
(( segid "PAH " and resid 364 and name HN ))
ASSI { 527}
(( segid "PAH " and resid 365 and name HA ))
(( segid "PAH " and resid 366 and name HN ))
3.800 1.800 1.800 peak 527 spectrum 1 weight 0.10000E+01 volume 0.43152E-03 ppm1 8.376 ppm2 4.029 CV 1
OR { 527}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 366 and name HN ))
ASSI { 589}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 332 and name HN ))
3.900 1.900 1.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.19654E-03 ppm1 7.177 ppm2 0.722 CV 1
OR { 589}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 332 and name HN ))
ASSI { 594}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 340 and name HN ))
3.100 1.200 1.200 peak 594 spectrum 1 weight 0.10000E+01 volume 0.21166E-02 ppm1 8.003 ppm2 1.576 CV 1
OR { 594}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 605}
(( segid "PAH " and resid 344 and name HN ))
(( segid "PAH " and resid 345 and name HN ))
2.400 0.700 0.700 peak 605 spectrum 1 weight 0.10000E+01 volume 0.55437E-02 ppm1 7.813 ppm2 8.055 CV 1
OR { 605}
(( segid "PAH " and resid 346 and name HN ))
(( segid "PAH " and resid 345 and name HN ))
ASSI { 619}
(( segid "PAH " and resid 376 and name HN ))
(( segid "PAH " and resid 377 and name HN ))
2.600 0.800 0.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.32128E-02 ppm1 7.793 ppm2 7.936 CV 1
OR { 619}
(( segid "PAH " and resid 342 and name HN ))
(( segid "PAH " and resid 343 and name HN ))
ASSI { 626}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 374 and name HN ))
3.500 1.500 1.500 peak 626 spectrum 1 weight 0.10000E+01 volume 0.74337E-03 ppm1 8.602 ppm2 4.419 CV 1
OR { 626}
(( segid "PAH " and resid 371 and name HA ))
(( segid "PAH " and resid 374 and name HN ))
ASSI { 628}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 339 and name HN ))
2.500 0.800 0.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.55751E-02 ppm1 8.069 ppm2 3.883 CV 1
OR { 628}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 338 and name HN ))
Contact the webmaster for help, if required. Friday, May 10, 2024 9:13:39 PM GMT (wattos1)