NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
11833 |
1s5q   |
4635 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
assi { 1 ncpssfnoeb.xpk }
(resid 304 and name HZ and segid PAH )
(resid 18 and name HB# and segid SID )
3.00 3.00 3.00
assi { 2 ncpssfnoeb.xpk }
(resid 304 and name HZ and segid PAH )
(resid 15 and name HA and segid SID )
2.50 2.50 2.50
assi { 3 ncpssfnoeb.xpk }
(resid 312 and name HA and segid PAH )
(resid 19 and name HD* and segid SID )
2.00 2.00 2.00
assi { 4 ncpssfnoeb.xpk }
(resid 307 and name HA and segid PAH )
(resid 12 and name HD* and segid SID )
2.00 2.00 2.00
assi { 5 ncpssfnoeb.xpk }
(resid 307 and name HA and segid PAH )
(resid 12 and name HD* and segid SID )
3.00 3.00 3.00
assi { 6 ncpssfnoeb.xpk }
(resid 307 and name HA and segid PAH )
(resid 12 and name HB# and segid SID )
2.50 2.50 2.50
assi { 7 ncpssfnoeb.xpk }
(resid 311 and name HB and segid PAH )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 8 ncpssfnoeb.xpk }
(resid 311 and name HB and segid PAH )
(resid 19 and name HD* and segid SID )
2.00 2.00 2.00
assi { 9 ncpssfnoeb.xpk }
(resid 311 and name HB and segid PAH )
(resid 15 and name HB# and segid SID )
2.00 2.00 2.00
assi { 10 ncpssfnoeb.xpk }
(resid 311 and name HB and segid PAH )
(resid 16 and name HA and segid SID )
2.50 2.50 2.50
assi { 11 ncpssfnoeb.xpk }
(resid 336 and name HB# and segid PAH )
((resid 9 and name HD1# and segid SID )
or (resid 13 and name HD* and segid SID ))
2.00 2.00 2.00
assi { 12 ncpssfnoeb.xpk }
(resid 336 and name HB# and segid PAH )
(resid 9 and name HG2# and segid SID )
2.50 2.50 2.50
assi { 13 ncpssfnoeb.xpk }
(resid 315 and name HD# and segid PAH )
(resid 19 and name HD* and segid SID )
2.00 2.00 2.00
assi { 14 ncpssfnoeb.xpk }
(resid 315 and name HD# and segid PAH )
((resid 16 and name HB# and segid SID )
or (resid 19 and name HG and segid SID ))
2.50 2.50 2.50
assi { 15 ncpssfnoeb.xpk }
(resid 315 and name HD# and segid PAH )
(resid 19 and name HB# and segid SID )
3.00 3.00 3.00
assi { 16 ncpssfnoeb.xpk }
(resid 308 and name HG1# and segid PAH )
(resid 15 and name HB# and segid SID )
2.50 2.50 2.50
assi { 17 ncpssfnoeb.xpk }
(resid 308 and name HG1# and segid PAH )
(resid 15 and name HB# and segid SID )
2.00 2.00 2.00
assi { 18 ncpssfnoeb.xpk }
(resid 308 and name HG1# and segid PAH )
(resid 15 and name HA and segid SID )
2.50 2.50 2.50
assi { 19 ncpssfnoeb.xpk }
(resid 308 and name HG1# and segid PAH )
(resid 15 and name HA and segid SID )
2.50 2.50 2.50
assi { 20 ncpssfnoeb.xpk }
(resid 308 and name HG1# and segid PAH )
(resid 19 and name HD* and segid SID )
2.50 2.50 2.50
assi { 23 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 13 and name HD* and segid SID )
2.00 2.00 2.00
assi { 24 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 9 and name HD1# and segid SID )
or (resid 13 and name HD* and segid SID ))
2.00 2.00 2.00
assi { 25 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 12 and name HD* and segid SID )
2.00 2.00 2.00
assi { 26 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 9 and name HG2# and segid SID )
2.00 2.00 2.00
assi { 27 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 9 and name HG1# and segid SID )
or (resid 12 and name HB# and segid SID ))
2.00 2.00 2.00
assi { 28 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 9 and name HG1# and segid SID )
or (resid 13 and name HG and segid SID ))
2.00 2.00 2.00
assi { 29 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 9 and name HB and segid SID )
or (resid 12 and name HB# and segid SID ))
2.50 2.50 2.50
assi { 30 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 31 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 13 and name HA and segid SID )
2.50 2.50 2.50
assi { 32 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 9 and name HA and segid SID )
3.00 3.00 3.00
assi { 34 ncpssfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
(resid 9 and name HG1# and segid SID )
3.00 3.00 3.00
assi { 35 ncpssfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
(resid 9 and name HG1# and segid SID )
3.00 3.00 3.00
assi { 36 ncpssfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 16 and name HB# and segid SID )
2.00 2.00 2.00
assi { 37 ncpssfnoeb.xpk }
((resid 329 and name HG and segid PAH )
or (resid 332 and name HG and segid PAH ))
(resid 13 and name HD* and segid SID )
2.50 2.50 2.50
assi { 38 ncpssfnoeb.xpk }
(resid 332 and name HG and segid PAH )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 39 ncpssfnoeb.xpk }
((resid 329 and name HG and segid PAH )
or (resid 332 and name HG and segid PAH ))
((resid 9 and name HD1# and segid SID )
or (resid 13 and name HD* and segid SID ))
2.50 2.50 2.50
assi { 40 ncpssfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 20 and name HG# and segid SID )
2.50 2.50 2.50
assi { 41 ncpssfnoeb.xpk }
(resid 296 and name HD* and segid PAH )
(resid 11 and name HA and segid SID )
2.50 2.50 2.50
assi { 42 ncpssfnoeb.xpk }
(resid 296 and name HD* and segid PAH )
((resid 11 and name HB# and segid SID )
or (resid 11 and name HE# and segid SID ))
2.50 2.50 2.50
assi { 43 ncpssfnoeb.xpk }
(resid 296 and name HD* and segid PAH )
(resid 10 and name HG# and segid SID )
2.50 2.50 2.50
assi { 44 ncpssfnoeb.xpk }
(resid 296 and name HD* and segid PAH )
(resid 11 and name HB# and segid SID )
2.50 2.50 2.50
assi { 45 ncpssfnoeb.xpk }
(resid 311 and name HG2# and segid PAH )
(resid 12 and name HD* and segid SID )
2.00 2.00 2.00
assi { 46 ncpssfnoeb.xpk }
(resid 311 and name HG2# and segid PAH )
(resid 12 and name HD* and segid SID )
2.00 2.00 2.00
assi { 47 ncpssfnoeb.xpk }
(resid 311 and name HG2# and segid PAH )
(resid 19 and name HD* and segid SID )
2.00 2.00 2.00
assi { 48 ncpssfnoeb.xpk }
(resid 311 and name HG2# and segid PAH )
((resid 12 and name HB# and segid SID )
or (resid 15 and name HB# and segid SID ))
2.00 2.00 2.00
assi { 49 ncpssfnoeb.xpk }
(resid 311 and name HG2# and segid PAH )
(resid 16 and name HB# and segid SID )
2.00 2.00 2.00
assi { 50 ncpssfnoeb.xpk }
(resid 311 and name HG2# and segid PAH )
(resid 12 and name HA and segid SID )
2.00 2.00 2.00
assi { 51 ncpssfnoeb.xpk }
(resid 311 and name HG2# and segid PAH )
(resid 16 and name HA and segid SID )
2.00 2.00 2.00
assi { 52 ncpssfnoeb.xpk }
(resid 311 and name HG2# and segid PAH )
(resid 12 and name HB# and segid SID )
2.00 2.00 2.00
assi { 53 ncpssfnoeb.xpk }
(resid 311 and name HG1# and segid PAH )
(resid 16 and name HA and segid SID )
2.00 2.00 2.00
assi { 54 ncpssfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
((resid 9 and name HG1# and segid SID )
or (resid 12 and name HB# and segid SID ))
2.50 2.50 2.50
assi { 55 ncpssfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
(resid 9 and name HG1# and segid SID )
2.50 2.50 2.50
assi { 56 ncpssfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
((resid 9 and name HB and segid SID )
or (resid 12 and name HB# and segid SID ))
2.50 2.50 2.50
assi { 57 ncpssfnoeb.xpk }
(resid 296 and name HD* and segid PAH )
((resid 11 and name HB# and segid SID )
or (resid 11 and name HE# and segid SID ))
2.50 2.50 2.50
assi { 58 ncpssfnoeb.xpk }
(resid 358 and name HG2# and segid PAH )
(resid 9 and name HD1# and segid SID )
2.50 2.50 2.50
assi { 59 ncpssfnoeb.xpk }
(resid 311 and name HG1# and segid PAH )
(resid 19 and name HB# and segid SID )
2.50 2.50 2.50
assi { 60 ncpssfnoeb.xpk }
(resid 311 and name HG1# and segid PAH )
(resid 16 and name HB# and segid SID )
2.00 2.00 2.00
assi { 61 ncpssfnoeb.xpk }
(resid 311 and name HG1# and segid PAH )
(resid 15 and name HB# and segid SID )
2.00 2.00 2.00
assi { 62 ncpssfnoeb.xpk }
(resid 311 and name HG1# and segid PAH )
(resid 19 and name HD* and segid SID )
1.50 1.50 1.50
assi { 63 ncpssfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 16 and name HB# and segid SID )
2.00 2.00 2.00
assi { 64 ncpssfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 13 and name HA and segid SID )
2.50 2.50 2.50
assi { 65 ncpssfnoeb.xpk }
(resid 329 and name HD* and segid PAH )
(resid 16 and name HA and segid SID )
2.50 2.50 2.50
assi { 66 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 9 and name HB and segid SID )
or (resid 12 and name HB# and segid SID ))
2.50 2.50 2.50
assi { 67 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 9 and name HG1# and segid SID )
or (resid 12 and name HB# and segid SID ))
2.00 2.00 2.00
assi { 68 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 9 and name HG2# and segid SID )
2.00 2.00 2.00
assi { 69 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 12 and name HD* and segid SID )
2.00 2.00 2.00
assi { 70 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 71 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 9 and name HD1# and segid SID )
or (resid 13 and name HD* and segid SID ))
2.00 2.00 2.00
assi { 72 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
((resid 9 and name HG1# and segid SID )
or (resid 13 and name HG and segid SID ))
2.00 2.00 2.00
assi { 73 ncpssfnoeb.xpk }
(resid 332 and name HD* and segid PAH )
(resid 9 and name HA and segid SID )
2.50 2.50 2.50
assi { 74 ncpssfnoeb.xpk }
(resid 358 and name HG1# and segid PAH )
(resid 9 and name HG2# and segid SID )
2.50 2.50 2.50
assi { 75 ncpssfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 12 and name HD* and segid SID )
2.00 2.00 2.00
assi { 76 ncpssfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 77 ncpssfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
((resid 12 and name HB# and segid SID )
or (resid 15 and name HB# and segid SID ))
2.00 2.00 2.00
assi { 78 ncpssfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 11 and name HE# and segid SID )
2.50 2.50 2.50
assi { 79 ncpssfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 11 and name HB# and segid SID )
2.50 2.50 2.50
assi { 80 ncpssfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 11 and name HG# and segid SID )
2.00 2.00 2.00
assi { 81 ncpssfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 11 and name HG# and segid SID )
2.50 2.50 2.50
assi { 82 ncpssfnoeb.xpk }
(resid 307 and name HB# and segid PAH )
(resid 12 and name HA and segid SID )
2.00 2.00 2.00
assi { 83 ncpssfnoeb.xpk }
(resid 308 and name HG2# and segid PAH )
(resid 15 and name HB# and segid SID )
2.50 2.50 2.50
assi { 84 ncpssfnoeb.xpk }
(resid 308 and name HG2# and segid PAH )
(resid 19 and name HB# and segid SID )
2.50 2.50 2.50
assi { 85 ncpssfnoeb.xpk }
(resid 308 and name HG2# and segid PAH )
(resid 18 and name HE# and segid SID )
2.50 2.50 2.50
assi { 86 ncpssfnoeb.xpk }
(resid 308 and name HG2# and segid PAH )
(resid 18 and name HD# and segid SID )
2.50 2.50 2.50
assi { 87 ncpssfnoeb.xpk }
(resid 308 and name HG2# and segid PAH )
(resid 19 and name HD* and segid SID )
2.00 2.00 2.00
assi { 88 ncpssfnoeb.xpk }
(resid 315 and name HE# and segid PAH )
(resid 19 and name HD* and segid SID )
2.50 2.50 2.50
assi { 89 ncpssfnoeb.xpk }
(resid 308 and name HA and segid PAH )
(resid 19 and name HD* and segid SID )
2.00 2.00 2.00
assi { 90 ncpssfnoeb.xpk }
(resid 308 and name HA and segid PAH )
(resid 15 and name HB# and segid SID )
1.50 1.50 1.50
assi { 91 ncpssfnoeb.xpk }
(resid 308 and name HA and segid PAH )
(resid 15 and name HA and segid SID )
2.50 2.50 2.50
assi { 92 ncpssfnoeb.xpk }
(resid 332 and name HB# and segid PAH )
(resid 13 and name HD* and segid SID )
2.00 2.00 2.00
assi { 93 ncpssfnoeb.xpk }
(resid 332 and name HB# and segid PAH )
(resid 13 and name HD* and segid SID )
2.00 2.00 2.00
assi { 94 ncpssfnoeb.xpk }
(resid 332 and name HB# and segid PAH )
((resid 9 and name HD1# and segid SID )
or (resid 13 and name HD* and segid SID ))
2.50 2.50 2.50
assi { 95 ncpssfnoeb.xpk }
(resid 332 and name HB# and segid PAH )
((resid 9 and name HD1# and segid SID )
or (resid 13 and name HD* and segid SID ))
2.50 2.50 2.50
assi { 96 ncpssfnoeb.xpk }
(resid 332 and name HB# and segid PAH )
(resid 9 and name HG2# and segid SID )
2.50 2.50 2.50
assi { 97 ncpssfnoeb.xpk }
(resid 332 and name HB# and segid PAH )
(resid 9 and name HG2# and segid SID )
2.50 2.50 2.50
assi { 98 ncpssfnoeb.xpk }
(resid 332 and name HB# and segid PAH )
((resid 9 and name HG1# and segid SID )
or (resid 13 and name HG and segid SID ))
2.50 2.50 2.50
assi { 99 ncpssfnoeb.xpk }
(resid 379 and name HB# and segid PAH )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 100 ncpssfnoeb.xpk }
(resid 379 and name HB# and segid PAH )
(resid 12 and name HD* and segid SID )
2.00 2.00 2.00
assi { 101 ncpssfnoeb.xpk }
(resid 312 and name HB# and segid PAH )
(resid 19 and name HD* and segid SID )
2.00 2.00 2.00
assi { 102 ncpssfnoeb.xpk }
(resid 312 and name HB# and segid PAH )
(resid 19 and name HD* and segid SID )
2.00 2.00 2.00
assi { 103 ncpssfnoeb.xpk }
((resid 312 and name HB# and segid PAH )
or (resid 379 and name HB# and segid PAH ))
((resid 12 and name HG and segid SID )
or (resid 19 and name HG and segid SID ))
2.50 2.50 2.50
assi { 104 ncpssfnoeb.xpk }
(resid 335 and name HB# and segid PAH )
(resid 9 and name HG2# and segid SID )
3.00 3.00 3.00
assi { 105 ncpssfnoeb.xpk }
(resid 335 and name HB# and segid PAH )
(resid 9 and name HG2# and segid SID )
2.50 2.50 2.50
assi { 106 ncpssfnoeb.xpk }
(resid 335 and name HB# and segid PAH )
(resid 9 and name HD1# and segid SID )
3.00 3.00 3.00
assi { 107 ncpssfnoeb.xpk }
(resid 335 and name HB# and segid PAH )
(resid 9 and name HD1# and segid SID )
3.00 3.00 3.00
assi { 108 ncpssfnoeb.xpk }
(resid 308 and name HD1# and segid PAH )
(resid 19 and name HD* and segid SID )
2.00 2.00 2.00
assi { 109 ncpssfnoeb.xpk }
(resid 308 and name HD1# and segid PAH )
(resid 15 and name HB# and segid SID )
2.00 2.00 2.00
assi { 110 ncpssfnoeb.xpk }
(resid 308 and name HD1# and segid PAH )
(resid 19 and name HB# and segid SID )
2.50 2.50 2.50
assi { 111 ncpssfnoeb.xpk }
(resid 308 and name HD1# and segid PAH )
(resid 15 and name HA and segid SID )
2.50 2.50 2.50
assi { 112 ncpssfnoeb.xpk }
(resid 308 and name HD1# and segid PAH )
(resid 18 and name HB# and segid SID )
3.00 3.00 3.00
assi { 113 ncpssfnoeb.xpk }
(resid 308 and name HD1# and segid PAH )
(resid 18 and name HE# and segid SID )
2.50 2.50 2.50
assi { 114 ncpssfnoeb.xpk }
(resid 308 and name HD1# and segid PAH )
(resid 18 and name HD# and segid SID )
2.00 2.00 2.00
assi { 115 ncpssfnoeb.xpk }
(resid 308 and name HB and segid PAH )
(resid 15 and name HB# and segid SID )
2.50 2.50 2.50
assi { 116 ncpssfnoeb.xpk }
(resid 355 and name HA and segid PAH )
(resid 9 and name HD1# and segid SID )
2.50 2.50 2.50
assi { 117 ncpssfnoeb.xpk }
(resid 376 and name HA and segid PAH )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 118 ncpssfnoeb.xpk }
(resid 304 and name HA and segid PAH )
((resid 11 and name HB# and segid SID )
or (resid 11 and name HE# and segid SID ))
2.50 2.50 2.50
assi { 119 ncpssfnoeb.xpk }
(resid 304 and name HA and segid PAH )
(resid 11 and name HG# and segid SID )
2.50 2.50 2.50
assi { 120 ncpssfnoeb.xpk }
(resid 304 and name HA and segid PAH )
(resid 11 and name HG# and segid SID )
2.50 2.50 2.50
assi { 121 ncpssfnoeb.xpk }
(resid 333 and name HA and segid PAH )
((resid 9 and name HD1# and segid SID )
or (resid 13 and name HD* and segid SID ))
2.00 2.00 2.00
assi { 122 ncpssfnoeb.xpk }
(resid 333 and name HA and segid PAH )
(resid 13 and name HD* and segid SID )
2.00 2.00 2.00
assi { 123 ncpssfnoeb.xpk }
(resid 336 and name HG# and segid PAH )
((resid 9 and name HD1# and segid SID )
or (resid 13 and name HD* and segid SID ))
2.00 2.00 2.00
assi { 124 ncpssfnoeb.xpk }
(resid 336 and name HG# and segid PAH )
((resid 9 and name HD1# and segid SID )
or (resid 13 and name HD* and segid SID ))
2.00 2.00 2.00
assi { 125 ncpssfnoeb.xpk }
(resid 336 and name HG# and segid PAH )
(resid 9 and name HG2# and segid SID )
2.50 2.50 2.50
assi { 126 ncpssfnoeb.xpk }
(resid 336 and name HG# and segid PAH )
(resid 9 and name HG2# and segid SID )
2.50 2.50 2.50
assi { 127 ncpssfnoeb.xpk }
(resid 379 and name HA and segid PAH )
(resid 8 and name HA and segid SID )
2.00 2.00 2.00
assi { 128 ncpssfnoeb.xpk }
(resid 379 and name HA and segid PAH )
(resid 7 and name HE# and segid SID )
2.00 2.00 2.00
assi { 129 ncpssfnoeb.xpk }
(resid 332 and name HA and segid PAH )
(resid 13 and name HD* and segid SID )
2.50 2.50 2.50
assi { 130 ncpssfnoeb.xpk }
(resid 332 and name HA and segid PAH )
((resid 9 and name HD1# and segid SID )
or (resid 13 and name HD* and segid SID ))
2.50 2.50 2.50
assi { 131 ncpssfnoeb.xpk }
(resid 332 and name HA and segid PAH )
(resid 9 and name HG2# and segid SID )
2.00 2.00 2.00
assi { 132 ncpssfnoeb.xpk }
(resid 329 and name HA and segid PAH )
(resid 13 and name HD* and segid SID )
2.00 2.00 2.00
assi { 133 ncpssfnoeb.xpk }
(resid 329 and name HA and segid PAH )
(resid 13 and name HD* and segid SID )
2.50 2.50 2.50
assi { 134 ncpssfnoeb.xpk }
(resid 329 and name HA and segid PAH )
(resid 16 and name HB# and segid SID )
2.50 2.50 2.50
assi { 135 ncpssfnoeb.xpk }
(resid 328 and name HZ and segid PAH )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 136 ncpssfnoeb.xpk }
(resid 376 and name HE# and segid PAH )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 137 ncpssfnoeb.xpk }
(resid 310 and name HD# and segid PAH )
(resid 12 and name HD* and segid SID )
2.00 2.00 2.00
assi { 138 ncpssfnoeb.xpk }
(resid 335 and name HD# and segid PAH )
(resid 9 and name HD1# and segid SID )
2.00 2.00 2.00
assi { 139 ncpssfnoeb.xpk }
(resid 310 and name HD# and segid PAH )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 140 ncpssfnoeb.xpk }
(resid 335 and name HD# and segid PAH )
(resid 9 and name HG2# and segid SID )
2.00 2.00 2.00
assi { 141 ncpssfnoeb.xpk }
(resid 335 and name HD# and segid PAH )
(resid 9 and name HG1# and segid SID )
3.00 3.00 3.00
assi { 142 ncpssfnoeb.xpk }
(resid 310 and name HE# and segid PAH )
(resid 12 and name HD* and segid SID )
2.00 2.00 2.00
assi { 143 ncpssfnoeb.xpk }
(resid 310 and name HE# and segid PAH )
(resid 12 and name HD* and segid SID )
2.00 2.00 2.00
assi { 144 ncpssfnoeb.xpk }
(resid 335 and name HE# and segid PAH )
(resid 9 and name HD1# and segid SID )
2.50 2.50 2.50
assi { 145 ncpssfnoeb.xpk }
(resid 335 and name HE# and segid PAH )
(resid 9 and name HG2# and segid SID )
2.00 2.00 2.00
assi { 146 ncpssfnoeb.xpk }
(resid 335 and name HE# and segid PAH )
(resid 9 and name HG1# and segid SID )
2.00 2.00 2.00
assi { 147 ncpssfnoeb.xpk }
(resid 335 and name HE# and segid PAH )
(resid 9 and name HB and segid SID )
2.00 2.00 2.00
assi { 149 ncpssfnoeb.xpk }
(resid 380 and name HD* and segid PAH )
(resid 9 and name HG2# and segid SID )
3.00 3.00 3.00
assi { 150 ncpssfnoeb.xpk }
(resid 303 and name HB# and segid PAH )
(resid 11 and name HE# and segid SID )
2.00 2.00 2.00
assi { 1 ncpsdhfnh_2.xpk }
(resid 16 and name HN and segid SID )
(resid 15 and name HN and segid SID )
2.00 2.00 2.00
assi { 2 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 15 and name HN and segid SID )
2.00 2.00 2.00
assi { 3 ncpsdhfnh_2.xpk }
(resid 17 and name HN and segid SID )
(resid 16 and name HN and segid SID )
2.00 2.00 2.00
assi { 4 ncpsdhfnh_2.xpk }
(resid 16 and name HN and segid SID )
(resid 17 and name HN and segid SID )
2.50 2.50 2.50
assi { 5 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 13 and name HN and segid SID )
2.00 2.00 2.00
assi { 6 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
(resid 14 and name HN and segid SID )
2.00 2.00 2.00
assi { 7 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 19 and name HN and segid SID )
2.00 2.00 2.00
assi { 8 ncpsdhfnh_2.xpk }
(resid 19 and name HN and segid SID )
(resid 20 and name HN and segid SID )
2.00 2.00 2.00
assi { 9 ncpsdhfnh_2.xpk }
(resid 8 and name HN and segid SID )
((resid 7 and name HN and segid SID )
or (resid 9 and name HN and segid SID ))
2.00 2.00 2.00
assi { 10 ncpsdhfnh_2.xpk }
((resid 7 and name HN and segid SID )
or (resid 9 and name HN and segid SID ))
(resid 8 and name HN and segid SID )
2.00 2.00 2.00
assi { 11 ncpsdhfnh_2.xpk }
(resid 11 and name HN and segid SID )
(resid 12 and name HN and segid SID )
2.00 2.00 2.00
assi { 12 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 11 and name HN and segid SID )
2.00 2.00 2.00
assi { 13 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 13 and name HN and segid SID )
2.00 2.00 2.00
assi { 14 ncpsdhfnh_2.xpk }
(resid 21 and name HN and segid SID )
(resid 20 and name HN and segid SID )
2.00 2.00 2.00
assi { 15 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
(resid 12 and name HN and segid SID )
2.00 2.00 2.00
assi { 16 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 21 and name HN and segid SID )
2.00 2.00 2.00
assi { 17 ncpsdhfnh_2.xpk }
(resid 9 and name HN and segid SID )
(resid 8 and name HA and segid SID )
2.00 2.00 2.00
assi { 18 ncpsdhfnh_2.xpk }
(resid 8 and name HN and segid SID )
(resid 8 and name HA and segid SID )
2.00 2.00 2.00
assi { 19 ncpsdhfnh_2.xpk }
(resid 8 and name HN and segid SID )
(resid 7 and name HA and segid SID )
2.00 2.00 2.00
assi { 20 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 17 and name HA and segid SID )
2.50 2.50 2.50
assi { 21 ncpsdhfnh_2.xpk }
(resid 17 and name HN and segid SID )
(resid 17 and name HA and segid SID )
2.00 2.00 2.00
assi { 22 ncpsdhfnh_2.xpk }
(resid 18 and name HN and segid SID )
(resid 17 and name HA and segid SID )
2.50 2.50 2.50
assi { 23 ncpsdhfnh_2.xpk }
(resid 7 and name HN and segid SID )
(resid 7 and name HA and segid SID )
2.50 2.50 2.50
assi { 24 ncpsdhfnh_2.xpk }
(resid 15 and name HN and segid SID )
(resid 12 and name HA and segid SID )
2.00 2.00 2.00
assi { 25 ncpsdhfnh_2.xpk }
(resid 15 and name HN and segid SID )
(resid 15 and name HA and segid SID )
2.00 2.00 2.00
assi { 26 ncpsdhfnh_2.xpk }
(resid 15 and name HN and segid SID )
(resid 14 and name HA and segid SID )
2.50 2.50 2.50
assi { 27 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 14 and name HA and segid SID )
2.00 2.00 2.00
assi { 28 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 11 and name HA and segid SID )
2.50 2.50 2.50
assi { 29 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 13 and name HA and segid SID )
2.00 2.00 2.00
assi { 30 ncpsdhfnh_2.xpk }
(resid 16 and name HN and segid SID )
(resid 13 and name HA and segid SID )
2.00 2.00 2.00
assi { 31 ncpsdhfnh_2.xpk }
(resid 16 and name HN and segid SID )
(resid 16 and name HA and segid SID )
2.00 2.00 2.00
assi { 32 ncpsdhfnh_2.xpk }
(resid 7 and name HN and segid SID )
(resid 6 and name HA and segid SID )
2.00 2.00 2.00
assi { 33 ncpsdhfnh_2.xpk }
(resid 9 and name HN and segid SID )
(resid 9 and name HA and segid SID )
2.00 2.00 2.00
assi { 34 ncpsdhfnh_2.xpk }
(resid 10 and name HN and segid SID )
(resid 9 and name HA and segid SID )
2.00 2.00 2.00
assi { 35 ncpsdhfnh_2.xpk }
(resid 10 and name HN and segid SID )
(resid 10 and name HA and segid SID )
2.00 2.00 2.00
assi { 36 ncpsdhfnh_2.xpk }
(resid 19 and name HN and segid SID )
((resid 15 and name HA and segid SID )
or (resid 19 and name HA and segid SID ))
2.00 2.00 2.00
assi { 37 ncpsdhfnh_2.xpk }
((resid 18 and name HN and segid SID )
or (resid 19 and name HN and segid SID ))
((resid 16 and name HA and segid SID )
or (resid 18 and name HA and segid SID ))
1.50 1.50 1.50
assi { 39 ncpsdhfnh_2.xpk }
(resid 11 and name HN and segid SID )
(resid 11 and name HA and segid SID )
2.00 2.00 2.00
assi { 40 ncpsdhfnh_2.xpk }
(resid 17 and name HN and segid SID )
(resid 14 and name HA and segid SID )
2.00 2.00 2.00
assi { 41 ncpsdhfnh_2.xpk }
(resid 17 and name HN and segid SID )
(resid 16 and name HA and segid SID )
2.00 2.00 2.00
assi { 42 ncpsdhfnh_2.xpk }
(resid 11 and name HN and segid SID )
(resid 10 and name HA and segid SID )
2.00 2.00 2.00
assi { 43 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
((resid 12 and name HA and segid SID )
or (resid 13 and name HA and segid SID ))
2.00 2.00 2.00
assi { 44 ncpsdhfnh_2.xpk }
(resid 11 and name HN and segid SID )
(resid 9 and name HA and segid SID )
3.00 3.00 3.00
assi { 45 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
(resid 9 and name HA and segid SID )
2.50 2.50 2.50
assi { 46 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 19 and name HA and segid SID )
2.50 2.50 2.50
assi { 47 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 16 and name HA and segid SID )
2.50 2.50 2.50
assi { 48 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 20 and name HA and segid SID )
2.00 2.00 2.00
assi { 49 ncpsdhfnh_2.xpk }
(resid 21 and name HN and segid SID )
(resid 20 and name HA and segid SID )
2.00 2.00 2.00
assi { 50 ncpsdhfnh_2.xpk }
(resid 21 and name HN and segid SID )
((resid 18 and name HA and segid SID )
or (resid 21 and name HA and segid SID ))
2.00 2.00 2.00
assi { 51 ncpsdhfnh_2.xpk }
(resid 21 and name HN and segid SID )
(resid 19 and name HA and segid SID )
2.50 2.50 2.50
assi { 52 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 11 and name HA and segid SID )
2.50 2.50 2.50
assi { 53 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 12 and name HA and segid SID )
2.00 2.00 2.00
assi { 54 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 9 and name HA and segid SID )
2.00 2.00 2.00
assi { 55 ncpsdhfnh_2.xpk }
(resid 9 and name HN and segid SID )
(resid 8 and name HB# and segid SID )
2.00 2.00 2.00
assi { 57 ncpsdhfnh_2.xpk }
(resid 18 and name HN and segid SID )
(resid 18 and name HB# and segid SID )
1.50 1.50 1.50
assi { 58 ncpsdhfnh_2.xpk }
(resid 18 and name HN and segid SID )
(resid 18 and name HB# and segid SID )
2.00 2.00 2.00
assi { 59 ncpsdhfnh_2.xpk }
(resid 8 and name HD2# and segid SID )
(resid 8 and name HB# and segid SID )
2.00 2.00 2.00
assi { 60 ncpsdhfnh_2.xpk }
(resid 9 and name HN and segid SID )
(resid 8 and name HB# and segid SID )
2.00 2.00 2.00
assi { 61 ncpsdhfnh_2.xpk }
(resid 8 and name HD2# and segid SID )
(resid 8 and name HB# and segid SID )
2.00 2.00 2.00
assi { 62 ncpsdhfnh_2.xpk }
(resid 18 and name HN and segid SID )
(resid 17 and name HB# and segid SID )
2.00 2.00 2.00
assi { 63 ncpsdhfnh_2.xpk }
(resid 18 and name HN and segid SID )
(resid 17 and name HB# and segid SID )
2.00 2.00 2.00
assi { 64 ncpsdhfnh_2.xpk }
(resid 17 and name HN and segid SID )
(resid 17 and name HB# and segid SID )
2.00 2.00 2.00
assi { 65 ncpsdhfnh_2.xpk }
((resid 11 and name HN and segid SID )
or (resid 17 and name HN and segid SID ))
((resid 11 and name HG# and segid SID )
or (resid 17 and name HB# and segid SID ))
1.50 1.50 1.50
assi { 66 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 14 and name HG# and segid SID )
2.00 2.00 2.00
assi { 67 ncpsdhfnh_2.xpk }
(resid 11 and name HN and segid SID )
(resid 11 and name HG# and segid SID )
2.00 2.00 2.00
assi { 68 ncpsdhfnh_2.xpk }
(resid 11 and name HN and segid SID )
(resid 11 and name HB# and segid SID )
2.00 2.00 2.00
assi { 69 ncpsdhfnh_2.xpk }
((resid 10 and name HE2# and segid SID )
or (resid 20 and name HN and segid SID ))
((resid 10 and name HG# and segid SID )
or (resid 20 and name HG# and segid SID ))
2.00 2.00 2.00
assi { 70 ncpsdhfnh_2.xpk }
((resid 10 and name HE2# and segid SID )
or (resid 20 and name HN and segid SID ))
((resid 10 and name HG# and segid SID )
or (resid 20 and name HG# and segid SID ))
2.00 2.00 2.00
assi { 71 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 11 and name HB# and segid SID )
2.50 2.50 2.50
assi { 72 ncpsdhfnh_2.xpk }
(resid 10 and name HN and segid SID )
(resid 10 and name HG# and segid SID )
2.00 2.00 2.00
assi { 73 ncpsdhfnh_2.xpk }
(resid 7 and name HN and segid SID )
(resid 7 and name HG# and segid SID )
2.00 2.00 2.00
assi { 74 ncpsdhfnh_2.xpk }
(resid 7 and name HN and segid SID )
(resid 7 and name HG# and segid SID )
2.50 2.50 2.50
assi { 75 ncpsdhfnh_2.xpk }
(resid 11 and name HN and segid SID )
((resid 10 and name HB# and segid SID )
or (resid 11 and name HB# and segid SID ))
2.00 2.00 2.00
assi { 76 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 11 and name HB# and segid SID )
2.00 2.00 2.00
assi { 77 ncpsdhfnh_2.xpk }
(resid 8 and name HN and segid SID )
(resid 7 and name HB# and segid SID )
2.00 2.00 2.00
assi { 78 ncpsdhfnh_2.xpk }
(resid 21 and name HN and segid SID )
(resid 20 and name HB# and segid SID )
2.00 2.00 2.00
assi { 79 ncpsdhfnh_2.xpk }
(resid 21 and name HN and segid SID )
(resid 20 and name HB# and segid SID )
2.00 2.00 2.00
assi { 80 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 20 and name HB# and segid SID )
2.00 2.00 2.00
assi { 81 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 20 and name HB# and segid SID )
2.00 2.00 2.00
assi { 82 ncpsdhfnh_2.xpk }
(resid 11 and name HN and segid SID )
(resid 10 and name HB# and segid SID )
2.00 2.00 2.00
assi { 83 ncpsdhfnh_2.xpk }
(resid 10 and name HN and segid SID )
(resid 10 and name HB# and segid SID )
2.00 2.00 2.00
assi { 84 ncpsdhfnh_2.xpk }
(resid 10 and name HN and segid SID )
(resid 10 and name HB# and segid SID )
1.50 1.50 1.50
assi { 85 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 14 and name HB# and segid SID )
2.00 2.00 2.00
assi { 86 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 14 and name HB# and segid SID )
2.00 2.00 2.00
assi { 87 ncpsdhfnh_2.xpk }
(resid 15 and name HN and segid SID )
(resid 14 and name HB# and segid SID )
2.00 2.00 2.00
assi { 88 ncpsdhfnh_2.xpk }
(resid 15 and name HN and segid SID )
(resid 14 and name HB# and segid SID )
2.00 2.00 2.00
assi { 89 ncpsdhfnh_2.xpk }
(resid 10 and name HN and segid SID )
(resid 9 and name HB and segid SID )
2.00 2.00 2.00
assi { 90 ncpsdhfnh_2.xpk }
(resid 9 and name HN and segid SID )
(resid 9 and name HB and segid SID )
2.00 2.00 2.00
assi { 91 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 12 and name HB# and segid SID )
2.00 2.00 2.00
assi { 92 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
(resid 12 and name HB# and segid SID )
2.00 2.00 2.00
assi { 93 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
(resid 13 and name HB# and segid SID )
2.00 2.00 2.00
assi { 94 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 19 and name HB# and segid SID )
2.00 2.00 2.00
assi { 95 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 13 and name HB# and segid SID )
2.00 2.00 2.00
assi { 100 ncpsdhfnh_2.xpk }
(resid 21 and name HN and segid SID )
(resid 21 and name HB# and segid SID )
1.50 1.50 1.50
assi { 101 ncpsdhfnh_2.xpk }
(resid 8 and name HN and segid SID )
(resid 7 and name HB# and segid SID )
2.00 2.00 2.00
assi { 102 ncpsdhfnh_2.xpk }
(resid 9 and name HN and segid SID )
(resid 9 and name HG1# and segid SID )
2.00 2.00 2.00
assi { 103 ncpsdhfnh_2.xpk }
(resid 9 and name HN and segid SID )
(resid 9 and name HG1# and segid SID )
2.00 2.00 2.00
assi { 104 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 13 and name HB# and segid SID )
2.00 2.00 2.00
assi { 105 ncpsdhfnh_2.xpk }
(resid 16 and name HN and segid SID )
(resid 16 and name HB# and segid SID )
1.50 1.50 1.50
assi { 106 ncpsdhfnh_2.xpk }
(resid 17 and name HN and segid SID )
(resid 16 and name HB# and segid SID )
2.00 2.00 2.00
assi { 107 ncpsdhfnh_2.xpk }
(resid 15 and name HN and segid SID )
(resid 15 and name HB# and segid SID )
1.50 1.50 1.50
assi { 108 ncpsdhfnh_2.xpk }
(resid 16 and name HN and segid SID )
(resid 15 and name HB# and segid SID )
2.00 2.00 2.00
assi { 111 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
(resid 12 and name HB# and segid SID )
2.00 2.00 2.00
assi { 112 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 12 and name HB# and segid SID )
2.00 2.00 2.00
assi { 113 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 12 and name HG and segid SID )
2.00 2.00 2.00
assi { 114 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
(resid 13 and name HB# and segid SID )
2.00 2.00 2.00
assi { 115 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
(resid 13 and name HG and segid SID )
2.00 2.00 2.00
assi { 116 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 19 and name HG and segid SID )
2.00 2.00 2.00
assi { 118 ncpsdhfnh_2.xpk }
(resid 19 and name HN and segid SID )
(resid 19 and name HB# and segid SID )
1.50 1.50 1.50
assi { 119 ncpsdhfnh_2.xpk }
(resid 19 and name HN and segid SID )
(resid 19 and name HG and segid SID )
2.00 2.00 2.00
assi { 120 ncpsdhfnh_2.xpk }
(resid 14 and name HN and segid SID )
(resid 13 and name HD* and segid SID )
2.50 2.50 2.50
assi { 121 ncpsdhfnh_2.xpk }
(resid 9 and name HN and segid SID )
(resid 9 and name HG2# and segid SID )
2.00 2.00 2.00
assi { 123 ncpsdhfnh_2.xpk }
(resid 10 and name HN and segid SID )
(resid 13 and name HD* and segid SID )
2.50 2.50 2.50
assi { 124 ncpsdhfnh_2.xpk }
(resid 9 and name HN and segid SID )
(resid 9 and name HD1# and segid SID )
2.50 2.50 2.50
assi { 125 ncpsdhfnh_2.xpk }
(resid 19 and name HN and segid SID )
(resid 19 and name HD* and segid SID )
2.00 2.00 2.00
assi { 127 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
(resid 13 and name HD* and segid SID )
2.50 2.50 2.50
assi { 128 ncpsdhfnh_2.xpk }
(resid 13 and name HN and segid SID )
(resid 13 and name HD* and segid SID )
2.50 2.50 2.50
assi { 129 ncpsdhfnh_2.xpk }
(resid 20 and name HN and segid SID )
(resid 19 and name HD* and segid SID )
2.50 2.50 2.50
assi { 130 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 131 ncpsdhfnh_2.xpk }
(resid 12 and name HN and segid SID )
(resid 12 and name HD* and segid SID )
2.50 2.50 2.50
assi { 132 ncpsdhfnh_2.xpk }
(resid 8 and name HD2# and segid SID )
(resid 8 and name HB# and segid SID )
2.50 2.50 2.50
assi { 133 ncpsdhfnh_2.xpk }
(resid 8 and name HD2# and segid SID )
(resid 8 and name HB# and segid SID )
2.50 2.50 2.50
assi { 134 ncpsdhfnh_2.xpk }
(resid 8 and name HD2# and segid SID )
(resid 11 and name HB# and segid SID )
2.50 2.50 2.50
assi { 135 ncpsdhfnh_2.xpk }
((resid 18 and name HN and segid SID )
or (resid 19 and name HN and segid SID ))
(resid 18 and name HD# and segid SID )
2.00 2.00 2.00
assi { 136 ncpsdhfnh_2.xpk }
(resid 18 and name HD# and segid SID )
((resid 18 and name HN and segid SID )
or (resid 19 and name HN and segid SID ))
2.00 2.00 2.00
assi { 138 ncpsdhfnh_2.xpk }
(resid 15 and name HN and segid SID )
(resid 13 and name HN and segid SID )
2.50 2.50 2.50
assi { 139 ncpsdhfnh_2.xpk }
(resid 19 and name HN and segid SID )
(resid 21 and name HN and segid SID )
2.50 2.50 2.50
assi { 140 ncpsdhfnh_2.xpk }
(resid 21 and name HN and segid SID )
(resid 19 and name HN and segid SID )
2.50 2.50 2.50
ASSI { 4}
(( segid "SID " and resid 9 and name HB ))
( segid "PAH " and resid 335 and name HD% )
2.900 1.100 1.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 6.962 ppm2 2.141 CV 1
OR { 4}
(( segid "PAH " and resid 375 and name HB1 ))
( segid "PAH " and resid 310 and name HD% )
OR { 4}
(( segid "PAH " and resid 358 and name HB ))
( segid "PAH " and resid 335 and name HD% )
OR { 4}
(( segid "PAH " and resid 336 and name HB2 ))
( segid "PAH " and resid 335 and name HD% )
ASSI { 8}
(( segid "PAH " and resid 353 and name HB1 ))
( segid "PAH " and resid 335 and name HD% )
2.700 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.25426E-02 ppm1 6.973 ppm2 1.694 CV 1
OR { 8}
(( segid "PAH " and resid 313 and name HD2 ))
( segid "PAH " and resid 310 and name HD% )
OR { 8}
(( segid "PAH " and resid 353 and name HG ))
( segid "PAH " and resid 335 and name HD% )
OR { 8}
(( segid "PAH " and resid 313 and name HD1 ))
( segid "PAH " and resid 310 and name HD% )
ASSI { 10}
( segid "SID " and resid 12 and name HD1%)
( segid "PAH " and resid 310 and name HD% )
2.400 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.51500E-02 ppm1 6.964 ppm2 0.824 CV 1
OR { 10}
( segid "PAH " and resid 358 and name HG1%)
( segid "PAH " and resid 335 and name HD% )
ASSI { 12}
(( segid "SID " and resid 9 and name HG11))
( segid "PAH " and resid 335 and name HD% )
3.400 1.400 1.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.10122E-02 ppm1 6.962 ppm2 1.590 CV 1
OR { 12}
(( segid "PAH " and resid 353 and name HB2 ))
( segid "PAH " and resid 335 and name HD% )
OR { 12}
(( segid "SID " and resid 12 and name HG ))
( segid "PAH " and resid 310 and name HD% )
ASSI { 13}
(( segid "PAH " and resid 375 and name HB2 ))
( segid "PAH " and resid 310 and name HD% )
2.700 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 6.966 ppm2 1.953 CV 1
OR { 13}
(( segid "PAH " and resid 313 and name HB1 ))
( segid "PAH " and resid 310 and name HD% )
OR { 13}
(( segid "PAH " and resid 375 and name HG2 ))
( segid "PAH " and resid 310 and name HD% )
OR { 13}
(( segid "PAH " and resid 339 and name HG1 ))
( segid "PAH " and resid 335 and name HD% )
OR { 13}
(( segid "PAH " and resid 339 and name HG2 ))
( segid "PAH " and resid 335 and name HD% )
ASSI { 19}
( segid "PAH " and resid 342 and name HB% )
( segid "PAH " and resid 349 and name HD% )
2.500 0.800 0.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.38139E-02 ppm1 6.943 ppm2 1.469 CV 1
OR { 19}
( segid "PAH " and resid 345 and name HB% )
( segid "PAH " and resid 349 and name HD% )
ASSI { 21}
(( segid "PAH " and resid 349 and name HB1 ))
( segid "PAH " and resid 349 and name HD% )
2.100 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.87453E-02 ppm1 6.943 ppm2 2.973 CV 1
OR { 21}
(( segid "PAH " and resid 335 and name HB2 ))
( segid "PAH " and resid 335 and name HD% )
ASSI { 24}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 335 and name HD% )
3.600 1.600 1.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.62026E-03 ppm1 6.975 ppm2 0.536 CV 1
OR { 24}
( segid "PAH " and resid 372 and name HD1%)
( segid "PAH " and resid 310 and name HD% )
OR { 24}
( segid "SID " and resid 13 and name HD2%)
( segid "PAH " and resid 335 and name HD% )
OR { 24}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 310 and name HD% )
ASSI { 25}
( segid "SID " and resid 9 and name HD1%)
( segid "PAH " and resid 335 and name HD% )
3.800 1.800 1.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.39434E-03 ppm1 6.968 ppm2 0.628 CV 1
OR { 25}
( segid "SID " and resid 13 and name HD1%)
( segid "PAH " and resid 335 and name HD% )
ASSI { 27}
(( segid "PAH " and resid 336 and name HB1 ))
( segid "PAH " and resid 335 and name HD% )
3.300 1.400 1.400 peak 27 spectrum 1 weight 0.10000E+01 volume 0.83401E-03 ppm1 6.963 ppm2 2.205 CV 1
OR { 27}
(( segid "PAH " and resid 336 and name HB2 ))
( segid "PAH " and resid 335 and name HD% )
OR { 27}
(( segid "PAH " and resid 338 and name HB2 ))
( segid "PAH " and resid 335 and name HD% )
ASSI { 28}
(( segid "PAH " and resid 375 and name HG1 ))
( segid "PAH " and resid 310 and name HD% )
3.400 1.400 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.75224E-03 ppm1 6.962 ppm2 2.342 CV 1
OR { 28}
(( segid "PAH " and resid 336 and name HG2 ))
( segid "PAH " and resid 335 and name HD% )
OR { 28}
(( segid "PAH " and resid 355 and name HG2 ))
( segid "PAH " and resid 335 and name HD% )
ASSI { 29}
(( segid "PAH " and resid 375 and name HG1 ))
( segid "PAH " and resid 310 and name HD% )
3.400 1.500 1.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.71581E-03 ppm1 6.960 ppm2 2.376 CV 1
OR { 29}
(( segid "PAH " and resid 355 and name HG2 ))
( segid "PAH " and resid 335 and name HD% )
ASSI { 34}
( segid "PAH " and resid 373 and name HD2%)
( segid "PAH " and resid 359 and name HD% )
2.500 0.800 0.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.31904E-02 ppm1 7.128 ppm2 0.790 CV 1
OR { 34}
( segid "PAH " and resid 380 and name HD1%)
( segid "PAH " and resid 359 and name HD% )
ASSI { 40}
(( segid "PAH " and resid 360 and name HA ))
( segid "PAH " and resid 359 and name HD% )
3.000 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.13118E-02 ppm1 7.127 ppm2 4.059 CV 1
OR { 40}
(( segid "PAH " and resid 377 and name HA1 ))
( segid "PAH " and resid 359 and name HD% )
ASSI { 45}
(( segid "PAH " and resid 315 and name HD1 ))
( segid "PAH " and resid 325 and name HD% )
3.300 1.400 1.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.90690E-03 ppm1 7.070 ppm2 1.451 CV 1
OR { 45}
(( segid "PAH " and resid 326 and name HG2 ))
( segid "PAH " and resid 325 and name HD% )
OR { 45}
(( segid "PAH " and resid 315 and name HD2 ))
( segid "PAH " and resid 325 and name HD% )
ASSI { 46}
(( segid "PAH " and resid 314 and name HG11))
( segid "PAH " and resid 325 and name HD% )
3.800 1.800 1.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.66398E-03 ppm1 7.068 ppm2 1.159 CV 1
OR { 46}
( segid "PAH " and resid 311 and name HG2%)
( segid "PAH " and resid 325 and name HD% )
ASSI { 60}
(( segid "PAH " and resid 317 and name HB2 ))
( segid "PAH " and resid 318 and name HD% )
3.700 1.700 1.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.56358E-03 ppm1 7.313 ppm2 1.183 CV 1
OR { 60}
(( segid "PAH " and resid 324 and name HG12))
( segid "PAH " and resid 318 and name HD% )
ASSI { 66}
( segid "PAH " and resid 307 and name HB% )
( segid "PAH " and resid 379 and name HE% )
3.600 1.600 1.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.74577E-03 ppm1 6.807 ppm2 1.496 CV 1
OR { 66}
(( segid "PAH " and resid 362 and name HB ))
( segid "PAH " and resid 328 and name HD% )
OR { 66}
( segid "PAH " and resid 327 and name HB% )
( segid "PAH " and resid 328 and name HD% )
ASSI { 68}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 328 and name HD% )
3.100 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 6.836 ppm2 0.518 CV 1
OR { 68}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 328 and name HD% )
ASSI { 70}
( segid "SID " and resid 12 and name HD1%)
( segid "PAH " and resid 379 and name HE% )
3.000 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.16113E-02 ppm1 6.833 ppm2 0.792 CV 1
OR { 70}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 328 and name HD% )
OR { 70}
( segid "PAH " and resid 331 and name HG2%)
( segid "PAH " and resid 328 and name HD% )
OR { 70}
( segid "PAH " and resid 365 and name HD1%)
( segid "PAH " and resid 328 and name HD% )
ASSI { 79}
( segid "PAH " and resid 380 and name HD1%)
( segid "PAH " and resid 376 and name HD% )
3.000 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.13279E-02 ppm1 7.411 ppm2 0.808 CV 1
OR { 79}
( segid "SID " and resid 12 and name HD1%)
( segid "PAH " and resid 376 and name HD% )
ASSI { 86}
(( segid "SID " and resid 11 and name HG1 ))
( segid "PAH " and resid 304 and name HD% )
3.800 1.800 1.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.35709E-03 ppm1 7.166 ppm2 2.906 CV 1
OR { 86}
(( segid "PAH " and resid 305 and name HB1 ))
( segid "PAH " and resid 304 and name HD% )
ASSI { 87}
( segid "SID " and resid 11 and name HE% )
( segid "PAH " and resid 304 and name HD% )
3.500 1.500 1.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.65832E-03 ppm1 7.168 ppm2 2.288 CV 1
OR { 87}
(( segid "SID " and resid 14 and name HB2 ))
( segid "PAH " and resid 304 and name HD% )
ASSI { 92}
(( segid "SID " and resid 14 and name HB2 ))
( segid "PAH " and resid 304 and name HE% )
3.800 1.800 1.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.48098E-03 ppm1 7.053 ppm2 2.283 CV 1
OR { 92}
( segid "SID " and resid 11 and name HE% )
( segid "PAH " and resid 304 and name HE% )
ASSI { 98}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 318 and name HE% )
2.900 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.18705E-02 ppm1 6.931 ppm2 0.788 CV 1
OR { 98}
( segid "PAH " and resid 324 and name HD1%)
( segid "PAH " and resid 318 and name HE% )
OR { 98}
( segid "SID " and resid 12 and name HD1%)
( segid "PAH " and resid 328 and name HE% )
ASSI { 99}
(( segid "PAH " and resid 317 and name HB2 ))
( segid "PAH " and resid 318 and name HE% )
4.100 2.100 1.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.30123E-03 ppm1 6.925 ppm2 1.212 CV 1
OR { 99}
( segid "PAH " and resid 311 and name HG1%)
( segid "PAH " and resid 328 and name HE% )
OR { 99}
(( segid "PAH " and resid 324 and name HG12))
( segid "PAH " and resid 318 and name HE% )
ASSI { 104}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 328 and name HE% )
3.300 1.400 1.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.64698E-03 ppm1 6.913 ppm2 0.512 CV 1
OR { 104}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 328 and name HE% )
ASSI { 112}
( segid "PAH " and resid 380 and name HD1%)
( segid "PAH " and resid 376 and name HE% )
2.600 0.800 0.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.34333E-02 ppm1 7.099 ppm2 0.763 CV 1
OR { 112}
( segid "SID " and resid 12 and name HD1%)
( segid "PAH " and resid 376 and name HE% )
ASSI { 115}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 366 and name HE% )
3.200 1.300 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.82593E-03 ppm1 6.699 ppm2 0.787 CV 1
OR { 115}
( segid "PAH " and resid 324 and name HD1%)
( segid "PAH " and resid 366 and name HE% )
ASSI { 131}
( segid "PAH " and resid 373 and name HD1%)
( segid "PAH " and resid 366 and name HD% )
3.500 1.600 1.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.51175E-03 ppm1 6.627 ppm2 0.951 CV 1
OR { 131}
(( segid "PAH " and resid 372 and name HB2 ))
( segid "PAH " and resid 366 and name HD% )
ASSI { 132}
( segid "PAH " and resid 373 and name HD2%)
( segid "PAH " and resid 366 and name HD% )
3.000 1.100 1.100 peak 132 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 6.621 ppm2 0.800 CV 1
OR { 132}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 366 and name HD% )
ASSI { 141}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 376 and name HZ ))
2.700 0.900 0.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.32875E-02 ppm1 6.829 ppm2 0.769 CV 1
OR { 141}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 376 and name HZ ))
OR { 141}
( segid "PAH " and resid 380 and name HD2%)
(( segid "PAH " and resid 376 and name HZ ))
OR { 141}
( segid "SID " and resid 12 and name HD1%)
(( segid "PAH " and resid 376 and name HZ ))
ASSI { 166}
( segid "SID " and resid 13 and name HD1%)
(( segid "PAH " and resid 333 and name HD2 ))
3.800 1.800 1.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.39677E-03 ppm1 7.190 ppm2 0.644 CV 1
OR { 166}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 333 and name HD2 ))
ASSI { 175}
(( segid "PAH " and resid 349 and name HB2 ))
( segid "PAH " and resid 349 and name HE% )
3.100 1.200 1.200 peak 175 spectrum 1 weight 0.10000E+01 volume 0.14656E-02 ppm1 6.846 ppm2 2.759 CV 1
OR { 175}
(( segid "PAH " and resid 341 and name HB1 ))
( segid "PAH " and resid 349 and name HE% )
ASSI { 176}
(( segid "PAH " and resid 341 and name HB2 ))
( segid "PAH " and resid 349 and name HE% )
3.300 1.400 1.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.10770E-02 ppm1 6.846 ppm2 2.409 CV 1
OR { 176}
(( segid "PAH " and resid 338 and name HG2 ))
( segid "PAH " and resid 349 and name HE% )
ASSI { 179}
(( segid "PAH " and resid 351 and name HG2 ))
( segid "PAH " and resid 349 and name HE% )
3.500 1.500 1.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.11174E-02 ppm1 6.839 ppm2 1.949 CV 1
OR { 179}
(( segid "PAH " and resid 339 and name HB2 ))
( segid "PAH " and resid 349 and name HE% )
ASSI { 181}
(( segid "PAH " and resid 349 and name HA ))
( segid "PAH " and resid 349 and name HE% )
3.900 1.900 1.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.49151E-03 ppm1 6.844 ppm2 4.515 CV 1
OR { 181}
(( segid "PAH " and resid 350 and name HA ))
( segid "PAH " and resid 349 and name HE% )
ASSI { 185}
(( segid "PAH " and resid 335 and name HA ))
( segid "PAH " and resid 335 and name HE% )
4.000 2.000 2.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.48260E-03 ppm1 6.764 ppm2 4.083 CV 1
OR { 185}
(( segid "PAH " and resid 376 and name HB1 ))
( segid "PAH " and resid 310 and name HE% )
OR { 185}
(( segid "PAH " and resid 375 and name HA ))
( segid "PAH " and resid 310 and name HE% )
ASSI { 188}
(( segid "PAH " and resid 325 and name HA ))
( segid "PAH " and resid 325 and name HE% )
4.300 2.300 1.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.38463E-03 ppm1 6.767 ppm2 4.186 CV 1
OR { 188}
(( segid "SID " and resid 16 and name HA ))
( segid "PAH " and resid 325 and name HE% )
ASSI { 190}
(( segid "PAH " and resid 328 and name HB1 ))
( segid "PAH " and resid 325 and name HE% )
4.000 2.000 2.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.33686E-03 ppm1 6.767 ppm2 3.446 CV 1
OR { 190}
(( segid "PAH " and resid 329 and name HA ))
( segid "PAH " and resid 325 and name HE% )
OR { 190}
(( segid "PAH " and resid 358 and name HA ))
( segid "PAH " and resid 335 and name HE% )
ASSI { 192}
(( segid "PAH " and resid 315 and name HE2 ))
( segid "PAH " and resid 325 and name HE% )
3.000 1.100 1.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 6.767 ppm2 2.825 CV 1
OR { 192}
(( segid "PAH " and resid 315 and name HE1 ))
( segid "PAH " and resid 325 and name HE% )
OR { 192}
(( segid "PAH " and resid 313 and name HE2 ))
( segid "PAH " and resid 310 and name HE% )
ASSI { 194}
(( segid "PAH " and resid 355 and name HG2 ))
( segid "PAH " and resid 335 and name HE% )
3.100 1.200 1.200 peak 194 spectrum 1 weight 0.10000E+01 volume 0.14008E-02 ppm1 6.765 ppm2 2.398 CV 1
OR { 194}
(( segid "PAH " and resid 375 and name HG1 ))
( segid "PAH " and resid 310 and name HE% )
ASSI { 195}
(( segid "PAH " and resid 355 and name HB1 ))
( segid "PAH " and resid 335 and name HE% )
3.400 1.400 1.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 6.763 ppm2 2.216 CV 1
OR { 195}
(( segid "PAH " and resid 338 and name HB2 ))
( segid "PAH " and resid 335 and name HE% )
ASSI { 197}
(( segid "PAH " and resid 375 and name HB2 ))
( segid "PAH " and resid 310 and name HE% )
2.800 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.15871E-02 ppm1 6.758 ppm2 1.930 CV 1
OR { 197}
(( segid "PAH " and resid 339 and name HG1 ))
( segid "PAH " and resid 335 and name HE% )
OR { 197}
(( segid "PAH " and resid 375 and name HG2 ))
( segid "PAH " and resid 310 and name HE% )
ASSI { 198}
(( segid "PAH " and resid 372 and name HB1 ))
( segid "PAH " and resid 310 and name HE% )
2.700 0.900 0.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.31013E-02 ppm1 6.766 ppm2 1.657 CV 1
OR { 198}
(( segid "SID " and resid 9 and name HG11))
( segid "PAH " and resid 335 and name HE% )
OR { 198}
( segid "SID " and resid 16 and name HB% )
( segid "PAH " and resid 325 and name HE% )
OR { 198}
(( segid "PAH " and resid 315 and name HB1 ))
( segid "PAH " and resid 325 and name HE% )
ASSI { 200}
(( segid "PAH " and resid 315 and name HB2 ))
( segid "PAH " and resid 325 and name HE% )
2.700 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.23645E-02 ppm1 6.760 ppm2 1.354 CV 1
OR { 200}
(( segid "SID " and resid 9 and name HG12))
( segid "PAH " and resid 335 and name HE% )
OR { 200}
(( segid "PAH " and resid 329 and name HG ))
( segid "PAH " and resid 325 and name HE% )
ASSI { 201}
(( segid "PAH " and resid 314 and name HG11))
( segid "PAH " and resid 310 and name HE% )
2.600 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.40082E-02 ppm1 6.767 ppm2 1.160 CV 1
OR { 201}
( segid "PAH " and resid 311 and name HG2%)
( segid "PAH " and resid 310 and name HE% )
OR { 201}
( segid "PAH " and resid 311 and name HG2%)
( segid "PAH " and resid 325 and name HE% )
ASSI { 202}
( segid "SID " and resid 9 and name HG2%)
( segid "PAH " and resid 335 and name HE% )
3.300 1.400 1.400 peak 202 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 6.767 ppm2 1.004 CV 1
OR { 202}
(( segid "PAH " and resid 372 and name HB2 ))
( segid "PAH " and resid 310 and name HE% )
ASSI { 203}
( segid "PAH " and resid 353 and name HD1%)
( segid "PAH " and resid 335 and name HE% )
3.400 1.400 1.400 peak 203 spectrum 1 weight 0.10000E+01 volume 0.89882E-03 ppm1 6.767 ppm2 0.933 CV 1
OR { 203}
( segid "PAH " and resid 353 and name HD2%)
( segid "PAH " and resid 335 and name HE% )
OR { 203}
( segid "SID " and resid 19 and name HD2%)
( segid "PAH " and resid 325 and name HE% )
ASSI { 204}
( segid "SID " and resid 12 and name HD1%)
( segid "PAH " and resid 310 and name HE% )
2.500 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.42997E-02 ppm1 6.762 ppm2 0.797 CV 1
OR { 204}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 325 and name HE% )
ASSI { 205}
( segid "PAH " and resid 329 and name HD1%)
( segid "PAH " and resid 325 and name HE% )
2.400 0.700 0.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.54576E-02 ppm1 6.761 ppm2 0.630 CV 1
OR { 205}
( segid "SID " and resid 9 and name HD1%)
( segid "PAH " and resid 335 and name HE% )
ASSI { 206}
( segid "PAH " and resid 372 and name HD1%)
( segid "PAH " and resid 310 and name HE% )
3.000 1.100 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.24049E-02 ppm1 6.793 ppm2 0.544 CV 1
OR { 206}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 310 and name HE% )
ASSI { 220}
(( segid "PAH " and resid 377 and name HA1 ))
( segid "PAH " and resid 359 and name HE% )
3.600 1.600 1.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.48098E-03 ppm1 6.884 ppm2 4.080 CV 1
OR { 220}
(( segid "PAH " and resid 376 and name HB1 ))
( segid "PAH " and resid 359 and name HE% )
ASSI { 226}
(( segid "PAH " and resid 339 and name HB1 ))
( segid "PAH " and resid 335 and name HE% )
3.300 1.400 1.400 peak 226 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 6.765 ppm2 2.041 CV 1
OR { 226}
(( segid "PAH " and resid 355 and name HB2 ))
( segid "PAH " and resid 335 and name HE% )
OR { 226}
(( segid "SID " and resid 12 and name HB1 ))
( segid "PAH " and resid 310 and name HE% )
ASSI { 227}
(( segid "PAH " and resid 315 and name HB1 ))
( segid "PAH " and resid 325 and name HD% )
4.000 2.000 2.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.42026E-03 ppm1 7.065 ppm2 1.649 CV 1
OR { 227}
(( segid "PAH " and resid 326 and name HG1 ))
( segid "PAH " and resid 325 and name HD% )
OR { 227}
(( segid "PAH " and resid 324 and name HB ))
( segid "PAH " and resid 325 and name HD% )
ASSI { 228}
(( segid "PAH " and resid 315 and name HB2 ))
( segid "PAH " and resid 325 and name HD% )
3.700 1.700 1.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.36438E-03 ppm1 7.066 ppm2 1.359 CV 1
OR { 228}
(( segid "PAH " and resid 329 and name HG ))
( segid "PAH " and resid 325 and name HD% )
ASSI { 233}
(( segid "PAH " and resid 317 and name HG1 ))
( segid "PAH " and resid 318 and name HE% )
4.300 2.300 1.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.19353E-03 ppm1 6.942 ppm2 0.985 CV 1
OR { 233}
(( segid "PAH " and resid 372 and name HB2 ))
( segid "PAH " and resid 318 and name HE% )
ASSI { 235}
(( segid "SID " and resid 11 and name HG2 ))
( segid "PAH " and resid 304 and name HD% )
4.200 2.200 1.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.24697E-03 ppm1 7.168 ppm2 2.684 CV 1
OR { 235}
(( segid "SID " and resid 14 and name HG2 ))
( segid "PAH " and resid 304 and name HD% )
OR { 235}
(( segid "SID " and resid 14 and name HG1 ))
( segid "PAH " and resid 304 and name HD% )
ASSI { 236}
( segid "PAH " and resid 380 and name HD1%)
( segid "PAH " and resid 376 and name HE% )
2.700 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.25588E-02 ppm1 7.099 ppm2 0.825 CV 1
OR { 236}
( segid "PAH " and resid 358 and name HG1%)
( segid "PAH " and resid 376 and name HE% )
OR { 236}
( segid "SID " and resid 12 and name HD1%)
( segid "PAH " and resid 376 and name HE% )
ASSI { 237}
(( segid "PAH " and resid 365 and name HB1 ))
( segid "PAH " and resid 366 and name HD% )
3.800 1.800 1.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.51175E-03 ppm1 6.633 ppm2 1.511 CV 1
OR { 237}
(( segid "PAH " and resid 362 and name HB ))
( segid "PAH " and resid 366 and name HD% )
ASSI { 238}
(( segid "PAH " and resid 373 and name HG ))
( segid "PAH " and resid 366 and name HD% )
3.800 1.800 1.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.45264E-03 ppm1 6.625 ppm2 1.896 CV 1
OR { 238}
(( segid "PAH " and resid 369 and name HB1 ))
( segid "PAH " and resid 366 and name HD% )
ASSI { 3}
(( segid "PAH " and resid 324 and name HG11))
( segid "PAH " and resid 324 and name HG2%)
2.300 0.700 0.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.63033E-02 ppm1 -0.006 ppm2 1.538 CV 1
OR { 3}
(( segid "PAH " and resid 365 and name HB1 ))
( segid "PAH " and resid 324 and name HG2%)
ASSI { 11}
(( segid "PAH " and resid 362 and name HA ))
( segid "PAH " and resid 331 and name HD1%)
3.300 1.400 1.400 peak 11 spectrum 1 weight 0.10000E+01 volume 0.96458E-03 ppm1 0.731 ppm2 2.982 CV 1
OR { 11}
(( segid "PAH " and resid 328 and name HB2 ))
( segid "PAH " and resid 331 and name HD1%)
ASSI { 14}
( segid "PAH " and resid 327 and name HB% )
( segid "PAH " and resid 331 and name HD1%)
3.500 1.600 1.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.76367E-03 ppm1 0.730 ppm2 1.534 CV 1
OR { 14}
(( segid "PAH " and resid 365 and name HB1 ))
( segid "PAH " and resid 331 and name HD1%)
ASSI { 17}
(( segid "PAH " and resid 358 and name HA ))
( segid "PAH " and resid 331 and name HD1%)
4.500 2.500 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.24651E-03 ppm1 0.737 ppm2 3.445 CV 1
OR { 17}
(( segid "PAH " and resid 328 and name HB1 ))
( segid "PAH " and resid 331 and name HD1%)
ASSI { 27}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 314 and name HD1%)
2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.22306E-02 ppm1 0.059 ppm2 0.796 CV 1
OR { 27}
( segid "PAH " and resid 310 and name HE% )
( segid "PAH " and resid 314 and name HD1%)
ASSI { 29}
( segid "PAH " and resid 372 and name HD1%)
( segid "PAH " and resid 314 and name HD1%)
3.300 1.400 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.12460E-02 ppm1 0.059 ppm2 0.540 CV 1
OR { 29}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 314 and name HD1%)
ASSI { 50}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 353 and name HB1 ))
3.900 1.900 1.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.41866E-03 ppm1 1.685 ppm2 0.841 CV 1
OR { 50}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 353 and name HB1 ))
ASSI { 51}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 353 and name HB2 ))
3.800 1.800 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.33962E-03 ppm1 1.589 ppm2 0.840 CV 1
OR { 51}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 353 and name HB2 ))
ASSI { 66}
(( segid "PAH " and resid 321 and name HG1 ))
( segid "PAH " and resid 324 and name HD1%)
4.000 2.000 2.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.45483E-03 ppm1 0.767 ppm2 2.479 CV 1
OR { 66}
(( segid "PAH " and resid 318 and name HB2 ))
( segid "PAH " and resid 324 and name HD1%)
ASSI { 85}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 365 and name HB1 ))
3.900 3.900 2.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.46354E-03 ppm1 1.514 ppm2 0.012 CV 1
OR { 85}
(( segid "PAH " and resid 380 and name HN ))
(( segid "PAH " and resid 380 and name HB1 ))
OR { 85}
(( segid "PAH " and resid 366 and name HN ))
(( segid "PAH " and resid 365 and name HB1 ))
OR { 85}
(( segid "PAH " and resid 365 and name HN ))
(( segid "PAH " and resid 365 and name HB1 ))
ASSI { 86}
(( segid "PAH " and resid 365 and name HN ))
(( segid "PAH " and resid 365 and name HB2 ))
3.100 1.200 1.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.97128E-03 ppm1 1.296 ppm2 0.005 CV 1
OR { 86}
(( segid "PAH " and resid 366 and name HN ))
(( segid "PAH " and resid 365 and name HB2 ))
ASSI { 98}
(( segid "PAH " and resid 296 and name HA ))
(( segid "PAH " and resid 296 and name HB1 ))
3.400 1.400 1.400 peak 98 spectrum 1 weight 0.10000E+01 volume 0.66249E-03 ppm1 1.687 ppm2 4.342 CV 1
OR { 98}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 372 and name HB1 ))
ASSI { 105}
(( segid "PAH " and resid 343 and name HD2 ))
(( segid "PAH " and resid 343 and name HE1 ))
2.100 0.600 0.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.11790E-01 ppm1 2.991 ppm2 1.709 CV 1
OR { 105}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 337 and name HE2 ))
OR { 105}
(( segid "PAH " and resid 343 and name HD2 ))
(( segid "PAH " and resid 343 and name HE2 ))
OR { 105}
(( segid "PAH " and resid 343 and name HD1 ))
(( segid "PAH " and resid 343 and name HE1 ))
OR { 105}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HE2 ))
OR { 105}
(( segid "PAH " and resid 337 and name HD2 ))
(( segid "PAH " and resid 337 and name HE1 ))
OR { 105}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HE1 ))
OR { 105}
(( segid "PAH " and resid 326 and name HD2 ))
(( segid "PAH " and resid 326 and name HE1 ))
OR { 105}
(( segid "PAH " and resid 326 and name HD1 ))
(( segid "PAH " and resid 326 and name HE2 ))
OR { 105}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 337 and name HE1 ))
ASSI { 106}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HE1 ))
2.800 1.000 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.26526E-02 ppm1 2.981 ppm2 1.567 CV 1
OR { 106}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HE2 ))
OR { 106}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HE2 ))
ASSI { 107}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 337 and name HE2 ))
2.800 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.26392E-02 ppm1 2.988 ppm2 1.460 CV 1
OR { 107}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HE1 ))
OR { 107}
(( segid "PAH " and resid 343 and name HG2 ))
(( segid "PAH " and resid 343 and name HE2 ))
OR { 107}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HE2 ))
OR { 107}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 337 and name HE1 ))
ASSI { 121}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HE2 ))
3.200 1.200 1.200 peak 121 spectrum 1 weight 0.10000E+01 volume 0.17483E-02 ppm1 2.841 ppm2 1.604 CV 1
OR { 121}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HE2 ))
OR { 121}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 315 and name HE1 ))
ASSI { 138}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 329 and name HB1 ))
3.800 1.800 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.78374E-03 ppm1 1.746 ppm2 3.760 CV 1
OR { 138}
(( segid "PAH " and resid 363 and name HA ))
(( segid "PAH " and resid 373 and name HB2 ))
ASSI { 142}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 349 and name HB1 ))
2.900 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.23914E-02 ppm1 2.959 ppm2 1.455 CV 1
OR { 142}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 349 and name HB1 ))
ASSI { 147}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 332 and name HB1 ))
2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.24584E-02 ppm1 1.706 ppm2 0.548 CV 1
OR { 147}
( segid "SID " and resid 13 and name HD2%)
(( segid "PAH " and resid 332 and name HB1 ))
ASSI { 150}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 332 and name HB2 ))
2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.26526E-02 ppm1 1.159 ppm2 0.552 CV 1
OR { 150}
( segid "SID " and resid 13 and name HD2%)
(( segid "PAH " and resid 332 and name HB2 ))
ASSI { 180}
( segid "SID " and resid 19 and name HD2%)
(( segid "PAH " and resid 312 and name HB1 ))
3.400 1.400 1.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.17081E-02 ppm1 2.851 ppm2 0.981 CV 1
OR { 180}
( segid "SID " and resid 19 and name HD1%)
(( segid "PAH " and resid 312 and name HB1 ))
OR { 180}
(( segid "PAH " and resid 372 and name HB2 ))
(( segid "PAH " and resid 371 and name HB1 ))
ASSI { 181}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 328 and name HB2 ))
2.600 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.33292E-02 ppm1 3.029 ppm2 0.789 CV 1
OR { 181}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 335 and name HB2 ))
ASSI { 182}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 335 and name HB1 ))
3.200 1.300 1.300 peak 182 spectrum 1 weight 0.10000E+01 volume 0.15273E-02 ppm1 3.236 ppm2 0.810 CV 1
OR { 182}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 335 and name HB1 ))
OR { 182}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 359 and name HB1 ))
ASSI { 189}
(( segid "PAH " and resid 376 and name HA ))
(( segid "PAH " and resid 376 and name HB2 ))
2.800 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 3.355 ppm2 4.381 CV 1
OR { 189}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 376 and name HB2 ))
ASSI { 191}
(( segid "PAH " and resid 312 and name HA ))
(( segid "PAH " and resid 312 and name HB1 ))
2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.73682E-02 ppm1 2.865 ppm2 4.366 CV 1
OR { 191}
(( segid "PAH " and resid 305 and name HA ))
(( segid "PAH " and resid 305 and name HB1 ))
ASSI { 192}
(( segid "PAH " and resid 310 and name HA ))
(( segid "PAH " and resid 310 and name HB2 ))
2.100 0.500 0.500 peak 192 spectrum 1 weight 0.10000E+01 volume 0.13196E-01 ppm1 2.881 ppm2 4.441 CV 1
OR { 192}
(( segid "PAH " and resid 371 and name HA ))
(( segid "PAH " and resid 371 and name HB1 ))
OR { 192}
(( segid "PAH " and resid 309 and name HA ))
(( segid "PAH " and resid 309 and name HB2 ))
ASSI { 224}
(( segid "PAH " and resid 303 and name HA ))
(( segid "PAH " and resid 303 and name HG1 ))
3.500 1.600 1.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.60421E-03 ppm1 2.381 ppm2 4.178 CV 1
OR { 224}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 341 and name HB2 ))
ASSI { 227}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 375 and name HG1 ))
2.600 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.38048E-02 ppm1 2.371 ppm2 4.132 CV 1
OR { 227}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HG1 ))
ASSI { 229}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HG2 ))
2.600 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.41129E-02 ppm1 2.284 ppm2 4.134 CV 1
OR { 229}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 330 and name HG2 ))
OR { 229}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 330 and name HG1 ))
ASSI { 231}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 375 and name HG1 ))
3.100 1.200 1.200 peak 231 spectrum 1 weight 0.10000E+01 volume 0.13598E-02 ppm1 2.411 ppm2 0.948 CV 1
OR { 231}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 357 and name HG2 ))
OR { 231}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 357 and name HG1 ))
OR { 231}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HG2 ))
OR { 231}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HG1 ))
OR { 231}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 338 and name HG2 ))
ASSI { 235}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 375 and name HG1 ))
3.400 1.400 1.400 peak 235 spectrum 1 weight 0.10000E+01 volume 0.87082E-03 ppm1 2.350 ppm2 0.948 CV 1
OR { 235}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 357 and name HG2 ))
OR { 235}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HG2 ))
OR { 235}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HG1 ))
ASSI { 237}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 324 and name HB ))
2.300 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.59148E-02 ppm1 1.604 ppm2 0.009 CV 1
OR { 237}
(( segid "PAH " and resid 325 and name HN ))
(( segid "PAH " and resid 324 and name HB ))
OR { 237}
(( segid "PAH " and resid 324 and name HN ))
(( segid "PAH " and resid 324 and name HB ))
ASSI { 255}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 358 and name HA ))
2.300 0.700 0.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.72344E-02 ppm1 3.430 ppm2 0.833 CV 1
OR { 255}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 358 and name HA ))
ASSI { 256}
( segid "PAH " and resid 353 and name HD2%)
(( segid "PAH " and resid 358 and name HA ))
3.800 1.800 1.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.63770E-03 ppm1 3.433 ppm2 0.947 CV 1
OR { 256}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 358 and name HA ))
OR { 256}
( segid "PAH " and resid 335 and name HD% )
(( segid "PAH " and resid 358 and name HA ))
ASSI { 257}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 362 and name HA ))
2.800 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.21770E-02 ppm1 2.965 ppm2 0.808 CV 1
OR { 257}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 362 and name HA ))
ASSI { 260}
(( segid "PAH " and resid 362 and name HB ))
(( segid "PAH " and resid 362 and name HA ))
2.700 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.37311E-02 ppm1 2.960 ppm2 1.515 CV 1
OR { 260}
(( segid "PAH " and resid 365 and name HB1 ))
(( segid "PAH " and resid 362 and name HA ))
ASSI { 268}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 336 and name HG2 ))
2.900 1.100 1.100 peak 268 spectrum 1 weight 0.10000E+01 volume 0.17684E-02 ppm1 2.332 ppm2 3.902 CV 1
OR { 268}
(( segid "PAH " and resid 361 and name HA ))
(( segid "PAH " and resid 361 and name HG2 ))
ASSI { 274}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 339 and name HG2 ))
2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.34766E-02 ppm1 1.912 ppm2 3.906 CV 1
OR { 274}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 339 and name HG1 ))
OR { 274}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 339 and name HG2 ))
ASSI { 279}
(( segid "PAH " and resid 311 and name HB ))
(( segid "PAH " and resid 311 and name HA ))
2.700 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.27732E-02 ppm1 3.406 ppm2 2.108 CV 1
OR { 279}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 358 and name HA ))
ASSI { 292}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 314 and name HA ))
3.500 1.600 1.600 peak 292 spectrum 1 weight 0.10000E+01 volume 0.64708E-03 ppm1 3.153 ppm2 0.546 CV 1
OR { 292}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 314 and name HA ))
ASSI { 294}
(( segid "PAH " and resid 314 and name HG11))
(( segid "PAH " and resid 314 and name HA ))
3.000 1.100 1.100 peak 294 spectrum 1 weight 0.10000E+01 volume 0.15406E-02 ppm1 3.151 ppm2 1.155 CV 1
OR { 294}
(( segid "PAH " and resid 317 and name HB2 ))
(( segid "PAH " and resid 314 and name HA ))
ASSI { 303}
( segid "PAH " and resid 327 and name HB% )
(( segid "PAH " and resid 324 and name HA ))
2.400 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.62766E-02 ppm1 3.699 ppm2 1.540 CV 1
OR { 303}
(( segid "PAH " and resid 324 and name HG11))
(( segid "PAH " and resid 324 and name HA ))
ASSI { 311}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 359 and name HA ))
2.900 1.100 1.100 peak 311 spectrum 1 weight 0.10000E+01 volume 0.21100E-02 ppm1 3.889 ppm2 0.774 CV 1
OR { 311}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 359 and name HA ))
OR { 311}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 359 and name HA ))
OR { 311}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 359 and name HA ))
ASSI { 314}
(( segid "PAH " and resid 355 and name HB1 ))
(( segid "PAH " and resid 355 and name HA ))
2.300 0.600 0.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.71005E-02 ppm1 3.714 ppm2 2.188 CV 1
OR { 314}
(( segid "PAH " and resid 358 and name HB ))
(( segid "PAH " and resid 355 and name HA ))
ASSI { 316}
( segid "PAH " and resid 335 and name HE% )
(( segid "PAH " and resid 355 and name HA ))
3.000 1.100 1.100 peak 316 spectrum 1 weight 0.10000E+01 volume 0.16009E-02 ppm1 3.712 ppm2 0.766 CV 1
OR { 316}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 355 and name HA ))
ASSI { 326}
( segid "SID " and resid 13 and name HD1%)
(( segid "PAH " and resid 332 and name HB2 ))
3.700 1.700 1.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.65378E-03 ppm1 1.156 ppm2 0.647 CV 1
OR { 326}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 332 and name HB2 ))
ASSI { 334}
(( segid "PAH " and resid 316 and name HB2 ))
(( segid "PAH " and resid 316 and name HB1 ))
1.600 0.300 0.600 peak 334 spectrum 1 weight 0.10000E+01 volume 0.42871E-01 ppm1 2.716 ppm2 2.620 CV 1
OR { 334}
(( segid "PAH " and resid 323 and name HB2 ))
(( segid "PAH " and resid 323 and name HB1 ))
ASSI { 356}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 359 and name HB1 ))
2.700 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.31148E-02 ppm1 3.240 ppm2 4.105 CV 1
OR { 356}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 335 and name HB1 ))
ASSI { 357}
(( segid "PAH " and resid 328 and name HA ))
(( segid "PAH " and resid 328 and name HB2 ))
2.600 0.900 0.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.26392E-02 ppm1 3.020 ppm2 3.895 CV 1
OR { 357}
(( segid "PAH " and resid 359 and name HA ))
(( segid "PAH " and resid 359 and name HB2 ))
ASSI { 360}
(( segid "PAH " and resid 310 and name HA ))
(( segid "PAH " and resid 310 and name HB1 ))
3.000 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.24718E-02 ppm1 3.356 ppm2 4.405 CV 1
OR { 360}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 376 and name HB2 ))
ASSI { 386}
(( segid "PAH " and resid 373 and name HG ))
(( segid "PAH " and resid 366 and name HB2 ))
3.800 1.800 1.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.62632E-03 ppm1 2.929 ppm2 1.889 CV 1
OR { 386}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 366 and name HB2 ))
ASSI { 388}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 366 and name HB1 ))
3.200 3.200 2.800 peak 388 spectrum 1 weight 0.10000E+01 volume 0.79043E-03 ppm1 3.733 ppm2 0.817 CV 1
OR { 388}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 366 and name HB1 ))
OR { 388}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 366 and name HB1 ))
ASSI { 402}
(( segid "PAH " and resid 336 and name HB2 ))
(( segid "PAH " and resid 336 and name HG1 ))
2.100 0.600 0.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.11723E-01 ppm1 2.466 ppm2 2.202 CV 1
OR { 402}
(( segid "PAH " and resid 321 and name HB2 ))
(( segid "PAH " and resid 321 and name HG1 ))
OR { 402}
(( segid "PAH " and resid 336 and name HB1 ))
(( segid "PAH " and resid 336 and name HG1 ))
ASSI { 405}
(( segid "PAH " and resid 336 and name HB1 ))
(( segid "PAH " and resid 336 and name HG2 ))
2.000 0.500 0.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.16546E-01 ppm1 2.351 ppm2 2.189 CV 1
OR { 405}
(( segid "PAH " and resid 321 and name HB2 ))
(( segid "PAH " and resid 321 and name HG2 ))
OR { 405}
(( segid "PAH " and resid 336 and name HB2 ))
(( segid "PAH " and resid 336 and name HG2 ))
ASSI { 410}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 321 and name HG2 ))
3.400 1.500 1.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.72344E-03 ppm1 2.367 ppm2 0.780 CV 1
OR { 410}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 361 and name HG2 ))
OR { 410}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 361 and name HG2 ))
OR { 410}
( segid "PAH " and resid 335 and name HE% )
(( segid "PAH " and resid 336 and name HG2 ))
ASSI { 424}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 351 and name HB2 ))
2.400 0.700 0.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.65847E-02 ppm1 1.895 ppm2 4.402 CV 1
OR { 424}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 326 and name HB2 ))
ASSI { 425}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 351 and name HB1 ))
2.200 0.600 0.600 peak 425 spectrum 1 weight 0.10000E+01 volume 0.66919E-02 ppm1 2.327 ppm2 4.402 CV 1
OR { 425}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 381 and name HB1 ))
ASSI { 427}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 326 and name HB1 ))
2.300 0.700 0.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.72344E-02 ppm1 1.879 ppm2 3.765 CV 1
OR { 427}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 326 and name HB2 ))
OR { 427}
(( segid "PAH " and resid 351 and name HD2 ))
(( segid "PAH " and resid 351 and name HB2 ))
ASSI { 431}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HB1 ))
2.300 0.600 0.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.95120E-02 ppm1 2.001 ppm2 3.973 CV 1
OR { 431}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 313 and name HB1 ))
OR { 431}
(( segid "PAH " and resid 334 and name HA ))
(( segid "PAH " and resid 337 and name HB1 ))
ASSI { 432}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 313 and name HB2 ))
2.100 0.500 0.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.12325E-01 ppm1 1.955 ppm2 3.972 CV 1
OR { 432}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HB2 ))
OR { 432}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 313 and name HB1 ))
ASSI { 433}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HB2 ))
2.500 0.800 0.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.45282E-02 ppm1 1.939 ppm2 4.062 CV 1
OR { 433}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 343 and name HB2 ))
ASSI { 435}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 381 and name HB2 ))
2.600 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.38650E-02 ppm1 1.965 ppm2 4.450 CV 1
OR { 435}
(( segid "PAH " and resid 310 and name HA ))
(( segid "PAH " and resid 313 and name HB1 ))
ASSI { 444}
(( segid "PAH " and resid 313 and name HD2 ))
(( segid "PAH " and resid 313 and name HB1 ))
2.100 0.600 0.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.12124E-01 ppm1 1.966 ppm2 1.708 CV 1
OR { 444}
(( segid "PAH " and resid 313 and name HD1 ))
(( segid "PAH " and resid 313 and name HB2 ))
OR { 444}
(( segid "PAH " and resid 337 and name HD2 ))
(( segid "PAH " and resid 337 and name HB2 ))
OR { 444}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 337 and name HB1 ))
OR { 444}
(( segid "PAH " and resid 337 and name HD2 ))
(( segid "PAH " and resid 337 and name HB1 ))
OR { 444}
(( segid "PAH " and resid 313 and name HD1 ))
(( segid "PAH " and resid 313 and name HB1 ))
OR { 444}
(( segid "PAH " and resid 313 and name HD2 ))
(( segid "PAH " and resid 313 and name HB2 ))
OR { 444}
(( segid "PAH " and resid 337 and name HD1 ))
(( segid "PAH " and resid 337 and name HB2 ))
OR { 444}
(( segid "PAH " and resid 343 and name HD1 ))
(( segid "PAH " and resid 343 and name HB1 ))
ASSI { 446}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HB2 ))
2.100 0.500 0.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.11656E-01 ppm1 1.943 ppm2 1.586 CV 1
OR { 446}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HB2 ))
OR { 446}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HB1 ))
OR { 446}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HB2 ))
ASSI { 448}
(( segid "PAH " and resid 367 and name HG2 ))
(( segid "PAH " and resid 367 and name HB2 ))
2.100 0.600 0.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.11990E-01 ppm1 1.895 ppm2 1.468 CV 1
OR { 448}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HB1 ))
OR { 448}
(( segid "PAH " and resid 326 and name HG2 ))
(( segid "PAH " and resid 326 and name HB2 ))
OR { 448}
(( segid "PAH " and resid 367 and name HG1 ))
(( segid "PAH " and resid 367 and name HB2 ))
ASSI { 469}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 313 and name HB1 ))
3.600 1.600 1.600 peak 469 spectrum 1 weight 0.10000E+01 volume 0.38115E-03 ppm1 1.996 ppm2 0.549 CV 1
OR { 469}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 313 and name HB1 ))
ASSI { 473}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 324 and name HA ))
2.600 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.34029E-02 ppm1 3.701 ppm2 0.010 CV 1
OR { 473}
(( segid "PAH " and resid 324 and name HN ))
(( segid "PAH " and resid 324 and name HA ))
OR { 473}
(( segid "PAH " and resid 325 and name HN ))
(( segid "PAH " and resid 324 and name HA ))
ASSI { 486}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HB2 ))
2.200 0.600 0.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.93112E-02 ppm1 1.983 ppm2 1.587 CV 1
OR { 486}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HB2 ))
OR { 486}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HB1 ))
OR { 486}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 343 and name HB2 ))
OR { 486}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HB1 ))
ASSI { 524}
( segid "SID " and resid 19 and name HD2%)
(( segid "PAH " and resid 311 and name HB ))
2.900 1.000 1.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.23177E-02 ppm1 2.090 ppm2 0.972 CV 1
OR { 524}
( segid "SID " and resid 19 and name HD1%)
(( segid "PAH " and resid 311 and name HB ))
OR { 524}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 311 and name HB ))
ASSI { 527}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 321 and name HB1 ))
3.800 1.800 1.800 peak 527 spectrum 1 weight 0.10000E+01 volume 0.41866E-03 ppm1 2.366 ppm2 0.780 CV 1
OR { 527}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 357 and name HB1 ))
ASSI { 528}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 362 and name HB ))
3.300 1.400 1.400 peak 528 spectrum 1 weight 0.10000E+01 volume 0.10249E-02 ppm1 1.482 ppm2 0.797 CV 1
OR { 528}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 362 and name HB ))
OR { 528}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 362 and name HB ))
ASSI { 531}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HB1 ))
2.700 0.900 0.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.29474E-02 ppm1 2.118 ppm2 4.124 CV 1
OR { 531}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 375 and name HB1 ))
ASSI { 532}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HB2 ))
2.700 0.900 0.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.28000E-02 ppm1 1.947 ppm2 4.125 CV 1
OR { 532}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 375 and name HB2 ))
ASSI { 533}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HB2 ))
2.300 0.600 0.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.82390E-02 ppm1 1.867 ppm2 4.061 CV 1
OR { 533}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HB2 ))
OR { 533}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HB1 ))
OR { 533}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HB1 ))
ASSI { 535}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HD1 ))
1.900 0.500 0.500 peak 535 spectrum 1 weight 0.10000E+01 volume 0.19694E-01 ppm1 1.685 ppm2 1.592 CV 1
OR { 535}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HD2 ))
OR { 535}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HD1 ))
OR { 535}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HD2 ))
ASSI { 539}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 340 and name HB2 ))
2.100 0.500 0.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.12928E-01 ppm1 1.872 ppm2 1.602 CV 1
OR { 539}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HB1 ))
OR { 539}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HB2 ))
OR { 539}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 340 and name HB1 ))
ASSI { 540}
(( segid "PAH " and resid 375 and name HG1 ))
(( segid "PAH " and resid 375 and name HB2 ))
2.400 0.700 0.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.61895E-02 ppm1 1.947 ppm2 2.389 CV 1
OR { 540}
(( segid "PAH " and resid 344 and name HG1 ))
(( segid "PAH " and resid 344 and name HB2 ))
ASSI { 552}
(( segid "PAH " and resid 303 and name HA ))
(( segid "PAH " and resid 303 and name HB1 ))
2.200 0.600 0.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.97128E-02 ppm1 2.080 ppm2 4.170 CV 1
OR { 552}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HB1 ))
OR { 552}
(( segid "PAH " and resid 303 and name HA ))
(( segid "PAH " and resid 303 and name HB2 ))
ASSI { 555}
(( segid "PAH " and resid 300 and name HG1 ))
(( segid "PAH " and resid 300 and name HB2 ))
2.100 0.500 0.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.13866E-01 ppm1 1.969 ppm2 2.282 CV 1
OR { 555}
(( segid "PAH " and resid 344 and name HG2 ))
(( segid "PAH " and resid 344 and name HB2 ))
OR { 555}
(( segid "PAH " and resid 300 and name HG1 ))
(( segid "PAH " and resid 300 and name HB1 ))
ASSI { 559}
( segid "PAH " and resid 310 and name HD% )
(( segid "PAH " and resid 375 and name HB1 ))
2.900 1.100 1.100 peak 559 spectrum 1 weight 0.10000E+01 volume 0.18220E-02 ppm1 2.097 ppm2 0.954 CV 1
OR { 559}
( segid "PAH " and resid 353 and name HD1%)
(( segid "PAH " and resid 357 and name HB2 ))
ASSI { 562}
(( segid "PAH " and resid 374 and name HB2 ))
(( segid "PAH " and resid 374 and name HA ))
2.000 0.500 0.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.17081E-01 ppm1 4.352 ppm2 4.098 CV 1
OR { 562}
(( segid "PAH " and resid 374 and name HB1 ))
(( segid "PAH " and resid 374 and name HA ))
OR { 562}
(( segid "PAH " and resid 376 and name HB1 ))
(( segid "PAH " and resid 376 and name HA ))
ASSI { 569}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 344 and name HB2 ))
3.100 1.200 1.200 peak 569 spectrum 1 weight 0.10000E+01 volume 0.11387E-02 ppm1 1.973 ppm2 4.335 CV 1
OR { 569}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 375 and name HB2 ))
ASSI { 573}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 330 and name HB2 ))
2.100 0.600 0.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.12124E-01 ppm1 2.106 ppm2 4.123 CV 1
OR { 573}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 330 and name HB1 ))
OR { 573}
(( segid "PAH " and resid 327 and name HA ))
(( segid "PAH " and resid 330 and name HB2 ))
ASSI { 583}
(( segid "PAH " and resid 351 and name HG2 ))
(( segid "PAH " and resid 338 and name HB2 ))
2.200 2.200 3.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.19492E-01 ppm1 2.218 ppm2 1.960 CV 1
OR { 583}
(( segid "PAH " and resid 351 and name HG2 ))
(( segid "PAH " and resid 338 and name HB1 ))
OR { 583}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 338 and name HB1 ))
OR { 583}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 338 and name HB2 ))
ASSI { 595}
(( segid "PAH " and resid 354 and name HA ))
(( segid "PAH " and resid 355 and name HB1 ))
3.500 1.500 1.500 peak 595 spectrum 1 weight 0.10000E+01 volume 0.10383E-02 ppm1 2.220 ppm2 4.724 CV 1
OR { 595}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 338 and name HB1 ))
OR { 595}
(( segid "PAH " and resid 353 and name HA ))
(( segid "PAH " and resid 338 and name HB2 ))
ASSI { 601}
(( segid "PAH " and resid 327 and name HA ))
(( segid "PAH " and resid 331 and name HG11))
3.400 1.400 1.400 peak 601 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 1.780 ppm2 4.062 CV 1
OR { 601}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HD2 ))
OR { 601}
(( segid "PAH " and resid 367 and name HA ))
(( segid "PAH " and resid 367 and name HD1 ))
ASSI { 604}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 331 and name HG11))
3.000 1.100 1.100 peak 604 spectrum 1 weight 0.10000E+01 volume 0.32220E-02 ppm1 1.767 ppm2 0.812 CV 1
OR { 604}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 331 and name HG11))
ASSI { 635}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 343 and name HD2 ))
3.400 1.500 1.500 peak 635 spectrum 1 weight 0.10000E+01 volume 0.81720E-03 ppm1 1.686 ppm2 4.141 CV 1
OR { 635}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 343 and name HD1 ))
OR { 635}
(( segid "PAH " and resid 379 and name HA ))
(( segid "PAH " and resid 378 and name HB2 ))
ASSI { 649}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 361 and name HB1 ))
2.800 1.000 1.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.25789E-02 ppm1 2.061 ppm2 0.814 CV 1
OR { 649}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 361 and name HB2 ))
OR { 649}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 361 and name HB2 ))
OR { 649}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 361 and name HB1 ))
ASSI { 695}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HA ))
2.500 0.800 0.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.36909E-02 ppm1 3.958 ppm2 1.599 CV 1
OR { 695}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 337 and name HA ))
ASSI { 696}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 313 and name HA ))
2.200 0.600 0.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.98466E-02 ppm1 3.958 ppm2 1.987 CV 1
OR { 696}
(( segid "PAH " and resid 337 and name HB2 ))
(( segid "PAH " and resid 337 and name HA ))
OR { 696}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 337 and name HA ))
ASSI { 697}
(( segid "PAH " and resid 308 and name HN ))
(( segid "PAH " and resid 308 and name HG11))
2.900 2.900 3.100 peak 697 spectrum 1 weight 0.10000E+01 volume 0.13933E-02 ppm1 1.205 ppm2 0.006 CV 1
OR { 697}
(( segid "PAH " and resid 324 and name HN ))
(( segid "PAH " and resid 324 and name HG12))
OR { 697}
(( segid "PAH " and resid 317 and name HN ))
(( segid "PAH " and resid 317 and name HB2 ))
OR { 697}
( segid "PAH " and resid 324 and name HG2%)
(( segid "PAH " and resid 324 and name HG12))
ASSI { 714}
(( segid "PAH " and resid 319 and name HA ))
(( segid "PAH " and resid 319 and name HB2 ))
2.300 0.700 0.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.61091E-02 ppm1 2.105 ppm2 4.084 CV 1
OR { 714}
(( segid "PAH " and resid 356 and name HA ))
(( segid "PAH " and resid 356 and name HB2 ))
ASSI { 720}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 339 and name HB2 ))
2.500 0.800 0.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.39522E-02 ppm1 1.926 ppm2 3.905 CV 1
OR { 720}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 339 and name HB2 ))
ASSI { 736}
(( segid "PAH " and resid 333 and name HB2 ))
(( segid "PAH " and resid 330 and name HA ))
2.600 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.30144E-02 ppm1 4.117 ppm2 3.258 CV 1
OR { 736}
(( segid "PAH " and resid 359 and name HB1 ))
(( segid "PAH " and resid 356 and name HA ))
ASSI { 739}
(( segid "PAH " and resid 330 and name HB2 ))
(( segid "PAH " and resid 330 and name HA ))
2.100 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.13732E-01 ppm1 4.117 ppm2 2.112 CV 1
OR { 739}
(( segid "PAH " and resid 356 and name HB2 ))
(( segid "PAH " and resid 356 and name HA ))
OR { 739}
(( segid "PAH " and resid 330 and name HB1 ))
(( segid "PAH " and resid 330 and name HA ))
ASSI { 754}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 340 and name HG2 ))
2.600 0.800 0.800 peak 754 spectrum 1 weight 0.10000E+01 volume 0.42000E-02 ppm1 1.590 ppm2 4.059 CV 1
OR { 754}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 364 and name HG2 ))
ASSI { 759}
(( segid "PAH " and resid 351 and name HD1 ))
(( segid "PAH " and resid 351 and name HG1 ))
2.100 0.600 0.600 peak 759 spectrum 1 weight 0.10000E+01 volume 0.10450E-01 ppm1 2.088 ppm2 3.773 CV 1
OR { 759}
(( segid "PAH " and resid 322 and name HD1 ))
(( segid "PAH " and resid 322 and name HG2 ))
ASSI { 762}
(( segid "PAH " and resid 301 and name HD1 ))
(( segid "PAH " and resid 301 and name HG2 ))
2.100 0.500 0.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.15473E-01 ppm1 2.065 ppm2 3.698 CV 1
OR { 762}
(( segid "PAH " and resid 351 and name HD2 ))
(( segid "PAH " and resid 351 and name HG1 ))
OR { 762}
(( segid "PAH " and resid 301 and name HD1 ))
(( segid "PAH " and resid 301 and name HG1 ))
ASSI { 763}
(( segid "PAH " and resid 301 and name HD1 ))
(( segid "PAH " and resid 301 and name HG2 ))
2.000 0.500 0.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.16277E-01 ppm1 2.047 ppm2 3.665 CV 1
OR { 763}
(( segid "PAH " and resid 381 and name HD2 ))
(( segid "PAH " and resid 381 and name HG1 ))
OR { 763}
(( segid "PAH " and resid 381 and name HD2 ))
(( segid "PAH " and resid 381 and name HG2 ))
OR { 763}
(( segid "PAH " and resid 301 and name HD1 ))
(( segid "PAH " and resid 301 and name HG1 ))
OR { 763}
(( segid "PAH " and resid 381 and name HD1 ))
(( segid "PAH " and resid 381 and name HG1 ))
ASSI { 773}
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2.200 0.600 0.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.92443E-02 ppm1 3.963 ppm2 1.889 CV 1
OR { 773}
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OR { 773}
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ASSI { 781}
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OR { 781}
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ASSI { 786}
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2.300 0.700 0.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.71005E-02 ppm1 1.592 ppm2 3.185 CV 1
OR { 786}
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OR { 786}
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ASSI { 802}
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2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.61895E-02 ppm1 4.053 ppm2 1.770 CV 1
OR { 802}
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ASSI { 803}
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1.800 0.400 0.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.27129E-01 ppm1 4.053 ppm2 1.906 CV 1
OR { 803}
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ASSI { 804}
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2.000 0.500 0.500 peak 804 spectrum 1 weight 0.10000E+01 volume 0.16880E-01 ppm1 4.121 ppm2 1.953 CV 1
OR { 804}
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ASSI { 805}
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2.200 0.600 0.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.97797E-02 ppm1 4.116 ppm2 2.130 CV 1
OR { 805}
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ASSI { 807}
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2.500 0.800 0.800 peak 807 spectrum 1 weight 0.10000E+01 volume 0.42268E-02 ppm1 3.891 ppm2 1.936 CV 1
OR { 807}
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OR { 807}
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ASSI { 815}
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2.700 0.900 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.30679E-02 ppm1 4.166 ppm2 2.417 CV 1
OR { 815}
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ASSI { 819}
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2.200 0.600 0.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.10048E-01 ppm1 4.069 ppm2 2.118 CV 1
OR { 819}
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ASSI { 820}
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3.400 1.400 1.400 peak 820 spectrum 1 weight 0.10000E+01 volume 0.12861E-02 ppm1 4.046 ppm2 3.199 CV 1
OR { 820}
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OR { 820}
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OR { 820}
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ASSI { 822}
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3.700 1.700 1.700 peak 822 spectrum 1 weight 0.10000E+01 volume 0.34430E-03 ppm1 4.046 ppm2 0.818 CV 1
OR { 822}
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OR { 822}
( segid "PAH " and resid 373 and name HD2%)
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OR { 822}
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ASSI { 823}
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3.400 1.500 1.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.54191E-03 ppm1 4.047 ppm2 0.963 CV 1
OR { 823}
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OR { 823}
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ASSI { 846}
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3.200 1.300 1.300 peak 846 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 4.121 ppm2 1.709 CV 1
OR { 846}
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OR { 846}
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ASSI { 848}
(( segid "PAH " and resid 343 and name HG2 ))
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3.000 1.100 1.100 peak 848 spectrum 1 weight 0.10000E+01 volume 0.18555E-02 ppm1 4.124 ppm2 1.477 CV 1
OR { 848}
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(( segid "PAH " and resid 343 and name HA ))
ASSI { 853}
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2.800 1.000 1.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.50842E-02 ppm1 3.849 ppm2 0.561 CV 1
OR { 853}
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ASSI { 867}
( segid "PAH " and resid 332 and name HD1%)
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2.900 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.17216E-02 ppm1 3.448 ppm2 0.542 CV 1
OR { 867}
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(( segid "PAH " and resid 329 and name HA ))
ASSI { 892}
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3.000 1.200 1.200 peak 892 spectrum 1 weight 0.10000E+01 volume 0.15876E-02 ppm1 0.210 ppm2 1.882 CV 1
OR { 892}
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ASSI { 897}
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(( segid "PAH " and resid 329 and name HG ))
3.100 1.200 1.200 peak 897 spectrum 1 weight 0.10000E+01 volume 0.14938E-02 ppm1 1.339 ppm2 3.449 CV 1
OR { 897}
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(( segid "PAH " and resid 329 and name HG ))
ASSI { 907}
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( segid "PAH " and resid 332 and name HD2%)
4.700 2.700 1.300 peak 907 spectrum 1 weight 0.10000E+01 volume 0.18555E-03 ppm1 0.385 ppm2 3.993 CV 1
OR { 907}
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( segid "PAH " and resid 332 and name HD2%)
ASSI { 909}
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( segid "PAH " and resid 332 and name HD2%)
4.300 2.300 1.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.39387E-03 ppm1 0.382 ppm2 2.092 CV 1
OR { 909}
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( segid "PAH " and resid 332 and name HD2%)
ASSI { 932}
(( segid "PAH " and resid 332 and name HB2 ))
( segid "PAH " and resid 332 and name HD2%)
3.200 1.300 1.300 peak 932 spectrum 1 weight 0.10000E+01 volume 0.15608E-02 ppm1 0.384 ppm2 1.167 CV 1
OR { 932}
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ASSI { 936}
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( segid "PAH " and resid 332 and name HD2%)
3.000 1.100 1.100 peak 936 spectrum 1 weight 0.10000E+01 volume 0.16880E-02 ppm1 0.387 ppm2 0.807 CV 1
OR { 936}
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OR { 936}
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ASSI { 937}
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2.500 0.800 0.800 peak 937 spectrum 1 weight 0.10000E+01 volume 0.59684E-02 ppm1 0.387 ppm2 0.636 CV 1
OR { 937}
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( segid "PAH " and resid 332 and name HD2%)
ASSI { 942}
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( segid "PAH " and resid 372 and name HD2%)
3.800 1.800 1.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.46488E-03 ppm1 0.210 ppm2 0.793 CV 1
OR { 942}
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( segid "PAH " and resid 372 and name HD2%)
ASSI { 943}
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(( segid "PAH " and resid 365 and name HA ))
3.600 3.600 2.400 peak 943 spectrum 1 weight 0.10000E+01 volume 0.50574E-03 ppm1 4.028 ppm2 0.002 CV 1
OR { 943}
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(( segid "PAH " and resid 365 and name HA ))
ASSI { 950}
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2.800 1.000 1.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.23914E-02 ppm1 3.983 ppm2 2.118 CV 1
OR { 950}
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(( segid "PAH " and resid 378 and name HA ))
ASSI { 951}
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(( segid "PAH " and resid 378 and name HA ))
2.900 1.000 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.28067E-02 ppm1 3.982 ppm2 2.201 CV 1
OR { 951}
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(( segid "PAH " and resid 297 and name HA ))
ASSI { 957}
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(( segid "PAH " and resid 372 and name HA ))
2.900 1.100 1.100 peak 957 spectrum 1 weight 0.10000E+01 volume 0.23445E-02 ppm1 4.372 ppm2 0.990 CV 1
OR { 957}
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(( segid "PAH " and resid 372 and name HA ))
ASSI { 960}
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2.400 0.700 0.700 peak 960 spectrum 1 weight 0.10000E+01 volume 0.88420E-02 ppm1 4.406 ppm2 2.732 CV 1
OR { 960}
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ASSI { 962}
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2.300 0.700 0.700 peak 962 spectrum 1 weight 0.10000E+01 volume 0.83059E-02 ppm1 0.943 ppm2 1.265 CV 1
OR { 962}
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ASSI { 963}
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2.500 0.800 0.800 peak 963 spectrum 1 weight 0.10000E+01 volume 0.44545E-02 ppm1 0.947 ppm2 1.591 CV 1
OR { 963}
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ASSI { 964}
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2.600 0.800 0.800 peak 964 spectrum 1 weight 0.10000E+01 volume 0.32622E-02 ppm1 0.793 ppm2 1.324 CV 1
OR { 964}
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( segid "PAH " and resid 365 and name HD1%)
ASSI { 966}
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2.300 0.700 0.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.73013E-02 ppm1 0.795 ppm2 1.541 CV 1
OR { 966}
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OR { 966}
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ASSI { 972}
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1.800 0.400 0.400 peak 972 spectrum 1 weight 0.10000E+01 volume 0.28804E-01 ppm1 1.549 ppm2 1.707 CV 1
OR { 972}
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(( segid "PAH " and resid 337 and name HG1 ))
OR { 972}
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OR { 972}
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ASSI { 981}
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3.300 1.300 1.300 peak 981 spectrum 1 weight 0.10000E+01 volume 0.99135E-03 ppm1 0.938 ppm2 4.081 CV 1
OR { 981}
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OR { 981}
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ASSI { 983}
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2.900 1.000 1.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.20966E-02 ppm1 0.934 ppm2 4.422 CV 1
OR { 983}
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ASSI { 990}
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3.600 1.600 1.600 peak 990 spectrum 1 weight 0.10000E+01 volume 0.84405E-03 ppm1 1.628 ppm2 4.393 CV 1
OR { 990}
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ASSI { 995}
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3.300 1.400 1.400 peak 995 spectrum 1 weight 0.10000E+01 volume 0.99812E-03 ppm1 1.449 ppm2 3.005 CV 1
OR { 995}
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OR { 995}
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OR { 995}
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ASSI { 998}
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2.800 1.000 1.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.18421E-02 ppm1 1.184 ppm2 0.542 CV 1
OR { 998}
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ASSI { 999}
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3.300 3.300 2.700 peak 999 spectrum 1 weight 0.10000E+01 volume 0.13464E-02 ppm1 0.788 ppm2 0.012 CV 1
OR { 999}
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OR { 999}
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OR { 999}
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OR { 999}
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OR { 999}
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OR { 999}
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OR { 999}
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OR { 999}
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( segid "PAH " and resid 380 and name HD1%)
OR { 999}
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OR { 999}
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( segid "PAH " and resid 365 and name HD1%)
OR { 999}
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ASSI { 1006}
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2.600 0.800 0.800 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.34297E-02 ppm1 4.342 ppm2 0.500 CV 1
OR { 1006}
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(( segid "PAH " and resid 305 and name HA ))
ASSI { 1008}
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2.600 0.800 0.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.35904E-02 ppm1 4.337 ppm2 1.586 CV 1
OR { 1008}
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(( segid "PAH " and resid 296 and name HA ))
ASSI { 1021}
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3.200 1.300 1.300 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.12057E-02 ppm1 0.747 ppm2 3.729 CV 1
OR { 1021}
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ASSI { 1023}
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3.400 1.400 1.400 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 1.215 ppm2 3.963 CV 1
OR { 1023}
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ASSI { 1041}
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3.900 1.900 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.63234E-03 ppm1 0.748 ppm2 2.037 CV 1
OR { 1041}
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ASSI { 1055}
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3.200 1.300 1.300 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 0.823 ppm2 3.730 CV 1
OR { 1055}
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OR { 1055}
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ASSI { 1057}
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3.200 3.200 2.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.71005E-03 ppm1 1.146 ppm2 4.366 CV 1
OR { 1057}
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ASSI { 1058}
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( segid "PAH " and resid 311 and name HG2%)
2.700 0.900 0.900 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.38182E-02 ppm1 1.148 ppm2 4.164 CV 1
OR { 1058}
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ASSI { 1061}
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( segid "PAH " and resid 311 and name HG2%)
2.600 0.900 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.34363E-02 ppm1 1.149 ppm2 3.407 CV 1
OR { 1061}
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ASSI { 1064}
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2.300 0.600 0.600 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.70335E-02 ppm1 0.821 ppm2 2.170 CV 1
OR { 1064}
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( segid "PAH " and resid 373 and name HD2%)
ASSI { 1070}
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( segid "PAH " and resid 380 and name HD2%)
2.200 0.600 0.600 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.80382E-02 ppm1 0.767 ppm2 1.539 CV 1
OR { 1070}
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( segid "PAH " and resid 365 and name HD2%)
ASSI { 1071}
(( segid "PAH " and resid 365 and name HB2 ))
( segid "PAH " and resid 365 and name HD2%)
2.700 0.900 0.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.53521E-02 ppm1 0.770 ppm2 1.316 CV 1
OR { 1071}
(( segid "PAH " and resid 380 and name HB2 ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1075}
( segid "PAH " and resid 329 and name HD2%)
( segid "PAH " and resid 311 and name HG2%)
3.000 1.100 1.100 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.14603E-02 ppm1 1.152 ppm2 0.624 CV 1
OR { 1075}
(( segid "PAH " and resid 308 and name HG12))
( segid "PAH " and resid 311 and name HG2%)
ASSI { 1078}
(( segid "PAH " and resid 312 and name HB2 ))
(( segid "PAH " and resid 309 and name HA ))
2.200 0.600 0.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.11053E-01 ppm1 4.416 ppm2 2.714 CV 1
OR { 1078}
(( segid "PAH " and resid 371 and name HB2 ))
(( segid "PAH " and resid 371 and name HA ))
ASSI { 1080}
(( segid "PAH " and resid 316 and name HB1 ))
(( segid "PAH " and resid 316 and name HA ))
2.200 0.600 0.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.88420E-02 ppm1 4.355 ppm2 2.762 CV 1
OR { 1080}
(( segid "PAH " and resid 312 and name HB2 ))
(( segid "PAH " and resid 312 and name HA ))
ASSI { 1086}
( segid "PAH " and resid 296 and name HD1%)
(( segid "PAH " and resid 296 and name HA ))
3.000 1.100 1.100 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.20899E-02 ppm1 4.362 ppm2 0.971 CV 1
OR { 1086}
( segid "SID " and resid 19 and name HD2%)
(( segid "PAH " and resid 312 and name HA ))
ASSI { 1094}
(( segid "PAH " and resid 359 and name HA ))
( segid "PAH " and resid 362 and name HG1%)
3.300 1.300 1.300 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.14670E-02 ppm1 0.496 ppm2 3.902 CV 1
OR { 1094}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 362 and name HG1%)
ASSI { 1103}
( segid "PAH " and resid 324 and name HG2%)
( segid "PAH " and resid 365 and name HD2%)
3.100 3.100 2.900 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.19091E-02 ppm1 0.767 ppm2 0.006 CV 1
OR { 1103}
(( segid "PAH " and resid 365 and name HN ))
( segid "PAH " and resid 365 and name HD2%)
OR { 1103}
(( segid "PAH " and resid 380 and name HN ))
( segid "PAH " and resid 380 and name HD2%)
OR { 1103}
(( segid "PAH " and resid 328 and name HN ))
( segid "PAH " and resid 365 and name HD2%)
OR { 1103}
(( segid "PAH " and resid 366 and name HN ))
( segid "PAH " and resid 365 and name HD2%)
OR { 1103}
(( segid "PAH " and resid 335 and name HH ))
( segid "PAH " and resid 380 and name HD2%)
OR { 1103}
(( segid "PAH " and resid 327 and name HN ))
( segid "PAH " and resid 365 and name HD2%)
OR { 1103}
(( segid "SID " and resid 8 and name HD22))
( segid "PAH " and resid 380 and name HD2%)
OR { 1103}
(( segid "SID " and resid 8 and name HD21))
( segid "PAH " and resid 380 and name HD2%)
OR { 1103}
(( segid "PAH " and resid 364 and name HN ))
( segid "PAH " and resid 365 and name HD2%)
OR { 1103}
(( segid "PAH " and resid 379 and name HN ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1109}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 342 and name HA ))
2.200 0.600 0.600 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.96458E-02 ppm1 3.942 ppm2 1.475 CV 1
OR { 1109}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 342 and name HA ))
ASSI { 1126}
(( segid "PAH " and resid 300 and name HG1 ))
(( segid "PAH " and resid 300 and name HA ))
3.000 1.200 1.200 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.16880E-02 ppm1 4.710 ppm2 2.315 CV 1
OR { 1126}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 353 and name HA ))
ASSI { 1141}
(( segid "PAH " and resid 313 and name HE1 ))
( segid "PAH " and resid 372 and name HD1%)
3.300 1.400 1.400 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.87751E-03 ppm1 0.529 ppm2 2.919 CV 1
OR { 1141}
(( segid "PAH " and resid 371 and name HB1 ))
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1142}
(( segid "PAH " and resid 313 and name HE1 ))
( segid "PAH " and resid 372 and name HD1%)
3.300 1.300 1.300 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.93112E-03 ppm1 0.529 ppm2 2.864 CV 1
OR { 1142}
(( segid "PAH " and resid 371 and name HB1 ))
( segid "PAH " and resid 372 and name HD1%)
OR { 1142}
(( segid "PAH " and resid 313 and name HE2 ))
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1143}
(( segid "PAH " and resid 313 and name HB1 ))
( segid "PAH " and resid 372 and name HD1%)
3.000 1.100 1.100 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.17014E-02 ppm1 0.534 ppm2 1.962 CV 1
OR { 1143}
(( segid "PAH " and resid 313 and name HB2 ))
( segid "PAH " and resid 372 and name HD1%)
OR { 1143}
(( segid "PAH " and resid 375 and name HB2 ))
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1144}
(( segid "PAH " and resid 332 and name HB1 ))
( segid "PAH " and resid 332 and name HD1%)
2.500 0.800 0.800 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.56603E-02 ppm1 0.533 ppm2 1.685 CV 1
OR { 1144}
(( segid "PAH " and resid 372 and name HB1 ))
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1147}
(( segid "PAH " and resid 332 and name HB2 ))
( segid "PAH " and resid 332 and name HD1%)
2.600 0.800 0.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.32086E-02 ppm1 0.533 ppm2 1.178 CV 1
OR { 1147}
(( segid "PAH " and resid 328 and name HZ ))
( segid "PAH " and resid 332 and name HD1%)
ASSI { 1148}
( segid "SID " and resid 9 and name HG2%)
( segid "PAH " and resid 332 and name HD1%)
2.800 1.000 1.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.20095E-02 ppm1 0.538 ppm2 1.003 CV 1
OR { 1148}
(( segid "PAH " and resid 372 and name HB2 ))
( segid "PAH " and resid 372 and name HD1%)
ASSI { 1161}
(( segid "PAH " and resid 332 and name HA ))
( segid "PAH " and resid 332 and name HD1%)
2.600 0.900 0.900 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.52651E-02 ppm1 0.548 ppm2 3.862 CV 1
OR { 1161}
(( segid "SID " and resid 9 and name HA ))
( segid "PAH " and resid 332 and name HD1%)
ASSI { 1177}
(( segid "PAH " and resid 359 and name HA ))
( segid "PAH " and resid 358 and name HG2%)
4.100 2.100 1.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.32354E-03 ppm1 0.750 ppm2 3.886 CV 1
OR { 1177}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 358 and name HG2%)
OR { 1177}
(( segid "PAH " and resid 336 and name HA ))
( segid "PAH " and resid 358 and name HG2%)
ASSI { 1186}
( segid "PAH " and resid 331 and name HG2%)
( segid "PAH " and resid 362 and name HG2%)
3.000 1.100 1.100 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.14670E-02 ppm1 -0.331 ppm2 0.806 CV 1
OR { 1186}
( segid "PAH " and resid 358 and name HG1%)
( segid "PAH " and resid 362 and name HG2%)
ASSI { 1195}
( segid "PAH " and resid 310 and name HE% )
( segid "PAH " and resid 372 and name HD1%)
2.400 0.700 0.700 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.70335E-02 ppm1 0.551 ppm2 0.775 CV 1
OR { 1195}
( segid "PAH " and resid 314 and name HG2%)
( segid "PAH " and resid 372 and name HD1%)
OR { 1195}
( segid "PAH " and resid 310 and name HE% )
( segid "PAH " and resid 332 and name HD1%)
OR { 1195}
( segid "SID " and resid 12 and name HD1%)
( segid "PAH " and resid 332 and name HD1%)
ASSI { 1199}
(( segid "SID " and resid 13 and name HA ))
( segid "PAH " and resid 332 and name HD1%)
3.800 1.800 1.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.46555E-03 ppm1 0.544 ppm2 3.975 CV 1
OR { 1199}
(( segid "PAH " and resid 370 and name HA ))
( segid "PAH " and resid 372 and name HD1%)
OR { 1199}
(( segid "SID " and resid 12 and name HA ))
( segid "PAH " and resid 332 and name HD1%)
ASSI { 1202}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 366 and name HA ))
4.300 2.300 1.700 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.44278E-03 ppm1 4.916 ppm2 1.896 CV 1
OR { 1202}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 366 and name HA ))
ASSI { 1221}
(( segid "PAH " and resid 322 and name HG1 ))
(( segid "PAH " and resid 322 and name HD1 ))
2.500 0.800 0.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.42134E-02 ppm1 3.773 ppm2 2.106 CV 1
OR { 1221}
(( segid "PAH " and resid 351 and name HG1 ))
(( segid "PAH " and resid 351 and name HD1 ))
OR { 1221}
(( segid "PAH " and resid 322 and name HG2 ))
(( segid "PAH " and resid 322 and name HD1 ))
ASSI { 1226}
(( segid "PAH " and resid 351 and name HB2 ))
(( segid "PAH " and resid 351 and name HD2 ))
3.300 1.400 1.400 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.13062E-02 ppm1 3.721 ppm2 1.911 CV 1
OR { 1226}
(( segid "PAH " and resid 300 and name HB1 ))
(( segid "PAH " and resid 301 and name HD1 ))
ASSI { 1238}
(( segid "PAH " and resid 381 and name HB2 ))
(( segid "PAH " and resid 381 and name HD2 ))
2.900 1.100 1.100 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.31885E-02 ppm1 3.657 ppm2 1.988 CV 1
OR { 1238}
(( segid "PAH " and resid 300 and name HB1 ))
(( segid "PAH " and resid 301 and name HD1 ))
OR { 1238}
(( segid "PAH " and resid 381 and name HB2 ))
(( segid "PAH " and resid 381 and name HD1 ))
OR { 1238}
(( segid "PAH " and resid 300 and name HB1 ))
(( segid "PAH " and resid 301 and name HD2 ))
ASSI { 1240}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 322 and name HD2 ))
3.500 1.500 1.500 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.13129E-02 ppm1 3.487 ppm2 2.471 CV 1
OR { 1240}
(( segid "PAH " and resid 321 and name HG1 ))
(( segid "PAH " and resid 322 and name HD2 ))
ASSI { 1250}
(( segid "PAH " and resid 342 and name HA ))
( segid "PAH " and resid 342 and name HB% )
2.100 0.500 0.500 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.12928E-01 ppm1 1.463 ppm2 3.921 CV 1
OR { 1250}
(( segid "SID " and resid 12 and name HA ))
( segid "PAH " and resid 307 and name HB% )
ASSI { 1258}
(( segid "PAH " and resid 300 and name HG2 ))
(( segid "PAH " and resid 301 and name HD1 ))
3.400 1.400 1.400 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.13397E-02 ppm1 3.661 ppm2 2.225 CV 1
OR { 1258}
(( segid "PAH " and resid 355 and name HB1 ))
(( segid "PAH " and resid 381 and name HD2 ))
ASSI { 1267}
(( segid "PAH " and resid 327 and name HN ))
( segid "PAH " and resid 327 and name HB% )
3.500 3.500 2.500 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.63770E-03 ppm1 1.526 ppm2 0.004 CV 1
OR { 1267}
(( segid "PAH " and resid 360 and name HN ))
( segid "PAH " and resid 360 and name HB% )
OR { 1267}
(( segid "PAH " and resid 361 and name HN ))
( segid "PAH " and resid 360 and name HB% )
OR { 1267}
(( segid "PAH " and resid 328 and name HN ))
( segid "PAH " and resid 327 and name HB% )
ASSI { 1268}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 331 and name HG2%)
3.700 1.700 1.700 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 0.800 ppm2 3.875 CV 1
OR { 1268}
(( segid "PAH " and resid 318 and name HB1 ))
( segid "PAH " and resid 314 and name HG2%)
ASSI { 1275}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 331 and name HG2%)
2.600 0.800 0.800 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.70335E-02 ppm1 0.794 ppm2 0.524 CV 1
OR { 1275}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 331 and name HG2%)
OR { 1275}
( segid "PAH " and resid 372 and name HD1%)
( segid "PAH " and resid 314 and name HG2%)
OR { 1275}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 314 and name HG2%)
ASSI { 1285}
(( segid "PAH " and resid 305 and name HA ))
( segid "PAH " and resid 308 and name HG2%)
3.900 1.900 1.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.68325E-03 ppm1 0.892 ppm2 4.355 CV 1
OR { 1285}
(( segid "PAH " and resid 312 and name HA ))
( segid "PAH " and resid 308 and name HG2%)
ASSI { 1287}
(( segid "PAH " and resid 312 and name HB1 ))
( segid "PAH " and resid 308 and name HG2%)
3.500 1.500 1.500 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.93781E-03 ppm1 0.890 ppm2 2.876 CV 1
OR { 1287}
(( segid "PAH " and resid 309 and name HB2 ))
( segid "PAH " and resid 308 and name HG2%)
ASSI { 1291}
( segid "PAH " and resid 318 and name HD% )
( segid "PAH " and resid 324 and name HG2%)
3.800 1.800 1.800 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.41866E-03 ppm1 -0.007 ppm2 1.316 CV 1
OR { 1291}
(( segid "PAH " and resid 365 and name HB2 ))
( segid "PAH " and resid 324 and name HG2%)
ASSI { 1299}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 328 and name HB2 ))
2.900 1.000 1.000 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.19359E-02 ppm1 2.988 ppm2 0.813 CV 1
OR { 1299}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 335 and name HB2 ))
ASSI { 1300}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 338 and name HG2 ))
2.600 0.800 0.800 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.37914E-02 ppm1 2.397 ppm2 4.177 CV 1
OR { 1300}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HG1 ))
ASSI { 1305}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 375 and name HB1 ))
3.800 1.800 1.800 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.51378E-03 ppm1 2.112 ppm2 4.379 CV 1
OR { 1305}
(( segid "PAH " and resid 345 and name HA ))
(( segid "PAH " and resid 344 and name HB1 ))
OR { 1305}
(( segid "PAH " and resid 376 and name HA ))
(( segid "PAH " and resid 375 and name HB1 ))
ASSI { 1306}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 375 and name HB2 ))
3.300 1.400 1.400 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.68995E-03 ppm1 1.946 ppm2 4.364 CV 1
OR { 1306}
(( segid "PAH " and resid 376 and name HA ))
(( segid "PAH " and resid 375 and name HB2 ))
ASSI { 1310}
(( segid "PAH " and resid 301 and name HA ))
(( segid "PAH " and resid 301 and name HG1 ))
3.600 1.600 1.600 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 2.082 ppm2 4.521 CV 1
OR { 1310}
(( segid "PAH " and resid 301 and name HA ))
(( segid "PAH " and resid 301 and name HG2 ))
OR { 1310}
(( segid "PAH " and resid 350 and name HA ))
(( segid "PAH " and resid 351 and name HG1 ))
ASSI { 1312}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 381 and name HG2 ))
3.900 1.900 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.49837E-03 ppm1 2.087 ppm2 4.417 CV 1
OR { 1312}
(( segid "PAH " and resid 381 and name HA ))
(( segid "PAH " and resid 381 and name HG1 ))
OR { 1312}
(( segid "PAH " and resid 351 and name HA ))
(( segid "PAH " and resid 351 and name HG1 ))
ASSI { 1318}
( segid "PAH " and resid 372 and name HD1%)
(( segid "PAH " and resid 313 and name HG1 ))
3.600 1.700 1.700 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.42804E-03 ppm1 1.603 ppm2 0.545 CV 1
OR { 1318}
(( segid "PAH " and resid 317 and name HG2 ))
(( segid "PAH " and resid 313 and name HG1 ))
ASSI { 1330}
(( segid "SID " and resid 15 and name HA ))
( segid "PAH " and resid 308 and name HG2%)
4.600 2.700 1.400 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.18756E-03 ppm1 0.891 ppm2 4.127 CV 1
OR { 1330}
(( segid "SID " and resid 16 and name HA ))
( segid "PAH " and resid 308 and name HG2%)
ASSI { 1334}
( segid "PAH " and resid 332 and name HD2%)
( segid "PAH " and resid 329 and name HD2%)
2.600 0.800 0.800 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.31483E-02 ppm1 0.607 ppm2 0.398 CV 1
OR { 1334}
( segid "SID " and resid 12 and name HD2%)
( segid "PAH " and resid 329 and name HD2%)
ASSI { 1336}
(( segid "SID " and resid 16 and name HA ))
( segid "PAH " and resid 329 and name HD2%)
4.500 2.500 1.500 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.25588E-03 ppm1 0.603 ppm2 4.168 CV 1
OR { 1336}
(( segid "PAH " and resid 325 and name HA ))
( segid "PAH " and resid 329 and name HD2%)
ASSI { 1338}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 353 and name HG ))
3.200 1.300 1.300 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.13129E-02 ppm1 1.671 ppm2 0.831 CV 1
OR { 1338}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 353 and name HG ))
ASSI { 1339}
(( segid "PAH " and resid 331 and name HB ))
( segid "PAH " and resid 362 and name HG1%)
4.100 2.100 1.900 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.39789E-03 ppm1 0.493 ppm2 1.822 CV 1
OR { 1339}
(( segid "PAH " and resid 369 and name HB2 ))
( segid "PAH " and resid 362 and name HG1%)
ASSI { 1341}
(( segid "PAH " and resid 328 and name HB1 ))
( segid "PAH " and resid 362 and name HG1%)
4.700 2.800 1.300 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.33024E-03 ppm1 0.504 ppm2 3.435 CV 1
OR { 1341}
(( segid "PAH " and resid 358 and name HA ))
( segid "PAH " and resid 362 and name HG1%)
ASSI { 1342}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 362 and name HG1%)
2.300 0.700 0.700 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.72344E-02 ppm1 0.501 ppm2 0.804 CV 1
OR { 1342}
( segid "PAH " and resid 373 and name HD2%)
( segid "PAH " and resid 362 and name HG1%)
OR { 1342}
( segid "PAH " and resid 358 and name HG1%)
( segid "PAH " and resid 362 and name HG1%)
ASSI { 1343}
( segid "PAH " and resid 331 and name HD1%)
( segid "PAH " and resid 362 and name HG1%)
2.500 0.800 0.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.59416E-02 ppm1 0.501 ppm2 0.747 CV 1
OR { 1343}
( segid "PAH " and resid 310 and name HE% )
( segid "PAH " and resid 362 and name HG1%)
ASSI { 1346}
(( segid "PAH " and resid 370 and name HA ))
( segid "PAH " and resid 373 and name HD1%)
3.800 1.800 1.800 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.49837E-03 ppm1 0.936 ppm2 4.002 CV 1
OR { 1346}
(( segid "PAH " and resid 295 and name HB2 ))
( segid "PAH " and resid 296 and name HD1%)
OR { 1346}
(( segid "PAH " and resid 360 and name HA ))
( segid "PAH " and resid 373 and name HD1%)
OR { 1346}
(( segid "PAH " and resid 364 and name HA ))
( segid "PAH " and resid 373 and name HD1%)
ASSI { 1351}
(( segid "SID " and resid 19 and name HB2 ))
( segid "PAH " and resid 311 and name HG2%)
3.900 1.900 1.900 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.37713E-03 ppm1 1.151 ppm2 1.994 CV 1
OR { 1351}
(( segid "SID " and resid 19 and name HB1 ))
( segid "PAH " and resid 311 and name HG2%)
OR { 1351}
(( segid "SID " and resid 13 and name HB1 ))
( segid "PAH " and resid 311 and name HG2%)
ASSI { 1354}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 377 and name HA1 ))
3.600 1.600 1.600 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.46823E-03 ppm1 4.094 ppm2 0.800 CV 1
OR { 1354}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 377 and name HA1 ))
OR { 1354}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 377 and name HA1 ))
OR { 1354}
( segid "SID " and resid 12 and name HD1%)
(( segid "PAH " and resid 377 and name HA1 ))
ASSI { 1363}
( segid "PAH " and resid 332 and name HD1%)
( segid "PAH " and resid 358 and name HG2%)
2.600 0.900 0.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.41263E-02 ppm1 0.751 ppm2 0.515 CV 1
OR { 1363}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 358 and name HG2%)
ASSI { 1366}
( segid "PAH " and resid 376 and name HD% )
( segid "PAH " and resid 358 and name HG2%)
3.900 1.900 1.900 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.40191E-03 ppm1 0.747 ppm2 1.356 CV 1
OR { 1366}
(( segid "SID " and resid 9 and name HG12))
( segid "PAH " and resid 358 and name HG2%)
OR { 1366}
( segid "PAH " and resid 354 and name HG2%)
( segid "PAH " and resid 358 and name HG2%)
ASSI { 1367}
(( segid "PAH " and resid 362 and name HB ))
( segid "PAH " and resid 358 and name HG2%)
3.700 1.700 1.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.32086E-03 ppm1 0.747 ppm2 1.506 CV 1
OR { 1367}
(( segid "PAH " and resid 380 and name HB1 ))
( segid "PAH " and resid 358 and name HG2%)
OR { 1367}
( segid "PAH " and resid 327 and name HB% )
( segid "PAH " and resid 358 and name HG2%)
ASSI { 1373}
(( segid "PAH " and resid 355 and name HA ))
( segid "PAH " and resid 380 and name HD2%)
3.600 1.700 1.700 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.53789E-03 ppm1 0.761 ppm2 3.723 CV 1
OR { 1373}
(( segid "PAH " and resid 324 and name HA ))
( segid "PAH " and resid 365 and name HD2%)
OR { 1373}
(( segid "PAH " and resid 377 and name HA2 ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1374}
(( segid "PAH " and resid 328 and name HA ))
( segid "PAH " and resid 365 and name HD2%)
3.900 1.900 1.900 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.46354E-03 ppm1 0.765 ppm2 3.902 CV 1
OR { 1374}
(( segid "PAH " and resid 361 and name HA ))
( segid "PAH " and resid 365 and name HD2%)
OR { 1374}
(( segid "PAH " and resid 359 and name HA ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 1375}
(( segid "PAH " and resid 355 and name HB2 ))
( segid "PAH " and resid 380 and name HD1%)
4.100 2.100 1.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.50842E-03 ppm1 0.797 ppm2 2.027 CV 1
OR { 1375}
(( segid "PAH " and resid 381 and name HG2 ))
( segid "PAH " and resid 380 and name HD1%)
ASSI { 1376}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 373 and name HD2%)
2.900 1.000 1.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.21033E-02 ppm1 0.824 ppm2 0.533 CV 1
OR { 1376}
( segid "PAH " and resid 362 and name HG1%)
( segid "PAH " and resid 358 and name HG1%)
ASSI { 15}
( segid "SID " and resid 18 and name HD% )
( segid "PAH " and resid 308 and name HD1%)
2.800 1.000 1.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.25796E-02 ppm1 0.489 ppm2 -0.843 CV 1
OR { 15}
( segid "PAH " and resid 304 and name HD% )
( segid "PAH " and resid 308 and name HD1%)
ASSI { 44}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 376 and name HB2 ))
3.200 1.200 1.200 peak 44 spectrum 1 weight 0.10000E+01 volume 0.13861E-02 ppm1 3.373 ppm2 -1.223 CV 1
OR { 44}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 310 and name HB1 ))
ASSI { 45}
( segid "PAH " and resid 379 and name HE% )
(( segid "PAH " and resid 310 and name HB2 ))
3.500 1.500 1.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.86631E-03 ppm1 2.932 ppm2 -1.219 CV 1
OR { 45}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 310 and name HB2 ))
ASSI { 55}
( segid "PAH " and resid 349 and name HE% )
(( segid "PAH " and resid 341 and name HB2 ))
3.700 1.700 1.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.54223E-03 ppm1 2.416 ppm2 -1.169 CV 1
OR { 55}
( segid "PAH " and resid 379 and name HE% )
(( segid "PAH " and resid 303 and name HG1 ))
ASSI { 61}
( segid "PAH " and resid 325 and name HE% )
(( segid "PAH " and resid 311 and name HA ))
3.800 1.800 1.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.48319E-03 ppm1 3.396 ppm2 -1.252 CV 1
OR { 61}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 311 and name HA ))
ASSI { 75}
( segid "PAH " and resid 328 and name HD% )
(( segid "PAH " and resid 362 and name HB ))
4.200 2.200 1.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.42223E-03 ppm1 1.497 ppm2 -1.174 CV 1
OR { 75}
( segid "PAH " and resid 359 and name HE% )
(( segid "PAH " and resid 362 and name HB ))
ASSI { 76}
( segid "PAH " and resid 376 and name HE% )
(( segid "PAH " and resid 362 and name HB ))
3.300 1.400 1.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.84063E-03 ppm1 1.477 ppm2 -0.901 CV 1
OR { 76}
( segid "PAH " and resid 359 and name HD% )
(( segid "PAH " and resid 362 and name HB ))
ASSI { 84}
( segid "PAH " and resid 379 and name HE% )
(( segid "PAH " and resid 376 and name HA ))
3.200 1.300 1.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.15016E-02 ppm1 4.368 ppm2 -1.223 CV 1
OR { 84}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 376 and name HA ))
ASSI { 97}
( segid "PAH " and resid 318 and name HE% )
(( segid "PAH " and resid 317 and name HB1 ))
3.300 1.400 1.400 peak 97 spectrum 1 weight 0.10000E+01 volume 0.88551E-03 ppm1 1.684 ppm2 -1.052 CV 1
OR { 97}
( segid "PAH " and resid 335 and name HD% )
(( segid "PAH " and resid 353 and name HG ))
ASSI { 124}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 311 and name HG1%)
3.100 1.200 1.200 peak 124 spectrum 1 weight 0.10000E+01 volume 0.16363E-02 ppm1 1.229 ppm2 -1.064 CV 1
OR { 124}
( segid "PAH " and resid 310 and name HD% )
( segid "PAH " and resid 311 and name HG1%)
ASSI { 129}
( segid "PAH " and resid 310 and name HE% )
( segid "PAH " and resid 311 and name HG2%)
2.600 2.600 3.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.40234E-02 ppm1 1.155 ppm2 -1.253 CV 1
OR { 129}
( segid "PAH " and resid 325 and name HE% )
( segid "PAH " and resid 311 and name HG2%)
ASSI { 131}
( segid "PAH " and resid 325 and name HD% )
( segid "PAH " and resid 311 and name HG2%)
3.500 3.500 2.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.52875E-03 ppm1 1.154 ppm2 -0.940 CV 1
OR { 131}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 311 and name HG2%)
OR { 131}
( segid "PAH " and resid 304 and name HE% )
( segid "PAH " and resid 311 and name HG2%)
ASSI { 135}
( segid "PAH " and resid 335 and name HE% )
( segid "PAH " and resid 358 and name HG1%)
3.300 1.400 1.400 peak 135 spectrum 1 weight 0.10000E+01 volume 0.15657E-02 ppm1 0.829 ppm2 -1.251 CV 1
OR { 135}
( segid "PAH " and resid 310 and name HE% )
( segid "PAH " and resid 373 and name HD2%)
ASSI { 137}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 365 and name HD2%)
3.200 1.200 1.200 peak 137 spectrum 1 weight 0.10000E+01 volume 0.15401E-02 ppm1 0.777 ppm2 -1.192 CV 1
OR { 137}
(( segid "PAH " and resid 376 and name HZ ))
( segid "PAH " and resid 380 and name HD2%)
ASSI { 142}
( segid "PAH " and resid 376 and name HE% )
( segid "PAH " and resid 362 and name HG1%)
2.900 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.14117E-02 ppm1 0.502 ppm2 -0.908 CV 1
OR { 142}
( segid "PAH " and resid 359 and name HD% )
( segid "PAH " and resid 362 and name HG1%)
ASSI { 163}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 362 and name HG2%)
2.800 1.000 1.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.21946E-02 ppm1 -0.330 ppm2 -1.177 CV 1
OR { 163}
(( segid "PAH " and resid 376 and name HZ ))
( segid "PAH " and resid 362 and name HG2%)
ASSI { 174}
( segid "PAH " and resid 318 and name HE% )
( segid "PAH " and resid 314 and name HG2%)
2.700 0.900 0.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.37988E-02 ppm1 0.789 ppm2 -1.079 CV 1
OR { 174}
( segid "PAH " and resid 335 and name HD% )
( segid "PAH " and resid 331 and name HG2%)
OR { 174}
( segid "PAH " and resid 328 and name HE% )
( segid "PAH " and resid 314 and name HG2%)
ASSI { 175}
( segid "PAH " and resid 325 and name HE% )
( segid "PAH " and resid 314 and name HG2%)
3.000 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.30031E-02 ppm1 0.788 ppm2 -1.248 CV 1
OR { 175}
( segid "PAH " and resid 310 and name HE% )
( segid "PAH " and resid 314 and name HG2%)
ASSI { 177}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 314 and name HG2%)
2.700 0.900 0.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.32148E-02 ppm1 0.791 ppm2 -1.175 CV 1
OR { 177}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 331 and name HG2%)
ASSI { 180}
( segid "SID " and resid 18 and name HD% )
( segid "PAH " and resid 308 and name HG2%)
3.400 1.400 1.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.11358E-02 ppm1 0.898 ppm2 -0.842 CV 1
OR { 180}
( segid "PAH " and resid 304 and name HD% )
( segid "PAH " and resid 308 and name HG2%)
ASSI { 192}
(( segid "PAH " and resid 379 and name HZ ))
(( segid "PAH " and resid 310 and name HB1 ))
3.500 1.600 1.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.47678E-03 ppm1 3.373 ppm2 -1.395 CV 1
OR { 192}
( segid "PAH " and resid 366 and name HD% )
(( segid "PAH " and resid 376 and name HB2 ))
ASSI { 193}
(( segid "PAH " and resid 376 and name HZ ))
( segid "PAH " and resid 380 and name HD1%)
3.100 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.13989E-02 ppm1 0.798 ppm2 -1.170 CV 1
OR { 193}
( segid "PAH " and resid 328 and name HD% )
( segid "PAH " and resid 365 and name HD1%)
ASSI { 8}
( segid "SID " and resid 18 and name HD% )
(( segid "SID " and resid 19 and name HA ))
2.900 1.100 1.100 peak 8 spectrum 1 weight 0.10000E+01 volume 0.23844E-02 ppm1 7.170 ppm2 4.079 CV 1
OR { 8}
( segid "SID " and resid 18 and name HD% )
(( segid "SID " and resid 15 and name HA ))
ASSI { 11}
(( segid "SID " and resid 7 and name HA ))
( segid "SID " and resid 7 and name HE% )
3.200 1.300 1.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.24355E-02 ppm1 4.571 ppm2 1.841 CV 1
OR { 11}
(( segid "SID " and resid 7 and name HA ))
(( segid "SID " and resid 6 and name HB2 ))
OR { 11}
(( segid "SID " and resid 7 and name HA ))
(( segid "SID " and resid 6 and name HB1 ))
ASSI { 16}
(( segid "SID " and resid 7 and name HA ))
(( segid "SID " and resid 7 and name HB1 ))
2.800 1.000 1.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.26058E-02 ppm1 4.571 ppm2 2.249 CV 1
OR { 16}
(( segid "SID " and resid 7 and name HA ))
(( segid "SID " and resid 11 and name HB2 ))
ASSI { 24}
(( segid "SID " and resid 11 and name HA ))
(( segid "SID " and resid 14 and name HB1 ))
2.900 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.32615E-02 ppm1 4.306 ppm2 2.394 CV 1
OR { 24}
(( segid "SID " and resid 6 and name HA ))
(( segid "SID " and resid 7 and name HG2 ))
ASSI { 25}
(( segid "SID " and resid 11 and name HA ))
(( segid "SID " and resid 11 and name HB2 ))
2.400 0.700 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.57991E-02 ppm1 4.306 ppm2 2.273 CV 1
OR { 25}
(( segid "SID " and resid 11 and name HA ))
(( segid "SID " and resid 14 and name HB2 ))
ASSI { 30}
(( segid "SID " and resid 20 and name HA ))
(( segid "SID " and resid 20 and name HB1 ))
2.400 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.94523E-02 ppm1 4.251 ppm2 2.276 CV 1
OR { 30}
(( segid "SID " and resid 14 and name HA ))
(( segid "SID " and resid 14 and name HB2 ))
ASSI { 31}
(( segid "SID " and resid 14 and name HA ))
(( segid "SID " and resid 14 and name HB1 ))
2.400 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.82513E-02 ppm1 4.252 ppm2 2.401 CV 1
OR { 31}
(( segid "SID " and resid 20 and name HA ))
(( segid "SID " and resid 20 and name HG2 ))
ASSI { 33}
(( segid "SID " and resid 14 and name HA ))
(( segid "SID " and resid 14 and name HG1 ))
3.100 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.19501E-02 ppm1 4.261 ppm2 2.667 CV 1
OR { 33}
(( segid "SID " and resid 14 and name HA ))
(( segid "SID " and resid 14 and name HG2 ))
OR { 33}
(( segid "SID " and resid 11 and name HA ))
(( segid "SID " and resid 11 and name HG2 ))
ASSI { 45}
(( segid "SID " and resid 16 and name HA ))
( segid "SID " and resid 16 and name HB% )
2.100 0.500 0.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.15073E-01 ppm1 4.160 ppm2 1.649 CV 1
OR { 45}
(( segid "SID " and resid 21 and name HA ))
(( segid "SID " and resid 21 and name HG2 ))
ASSI { 48}
(( segid "SID " and resid 10 and name HA ))
(( segid "SID " and resid 13 and name HB1 ))
2.500 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.52883E-02 ppm1 3.988 ppm2 1.976 CV 1
OR { 48}
(( segid "SID " and resid 13 and name HA ))
(( segid "SID " and resid 13 and name HB1 ))
ASSI { 57}
(( segid "SID " and resid 13 and name HA ))
(( segid "SID " and resid 13 and name HB2 ))
2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.52201E-02 ppm1 3.982 ppm2 1.501 CV 1
OR { 57}
(( segid "SID " and resid 10 and name HA ))
(( segid "SID " and resid 13 and name HB2 ))
ASSI { 60}
(( segid "SID " and resid 9 and name HA ))
(( segid "SID " and resid 9 and name HG12))
2.800 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.28527E-02 ppm1 3.830 ppm2 1.334 CV 1
OR { 60}
(( segid "SID " and resid 9 and name HA ))
(( segid "SID " and resid 12 and name HB2 ))
ASSI { 61}
(( segid "SID " and resid 9 and name HA ))
(( segid "SID " and resid 12 and name HG ))
3.200 1.300 1.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.13455E-02 ppm1 3.830 ppm2 1.564 CV 1
OR { 61}
(( segid "SID " and resid 9 and name HA ))
(( segid "SID " and resid 13 and name HG ))
ASSI { 66}
(( segid "SID " and resid 13 and name HA ))
( segid "SID " and resid 13 and name HD1%)
2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.35084E-02 ppm1 3.980 ppm2 0.643 CV 1
OR { 66}
(( segid "SID " and resid 10 and name HA ))
( segid "SID " and resid 13 and name HD1%)
ASSI { 81}
(( segid "SID " and resid 9 and name HG11))
( segid "SID " and resid 9 and name HD1%)
2.200 0.600 0.600 peak 81 spectrum 1 weight 0.10000E+01 volume 0.10049E-01 ppm1 1.600 ppm2 0.645 CV 1
OR { 81}
(( segid "SID " and resid 13 and name HG ))
( segid "SID " and resid 13 and name HD1%)
ASSI { 91}
(( segid "SID " and resid 13 and name HB1 ))
(( segid "SID " and resid 13 and name HG ))
1.900 0.500 0.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.26909E-01 ppm1 1.978 ppm2 1.614 CV 1
OR { 91}
(( segid "SID " and resid 19 and name HB2 ))
(( segid "SID " and resid 19 and name HG ))
OR { 91}
(( segid "SID " and resid 19 and name HB1 ))
(( segid "SID " and resid 19 and name HG ))
ASSI { 95}
(( segid "SID " and resid 8 and name HA ))
(( segid "SID " and resid 11 and name HB2 ))
3.600 1.600 1.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.65060E-03 ppm1 5.285 ppm2 2.267 CV 1
OR { 95}
(( segid "SID " and resid 8 and name HA ))
(( segid "SID " and resid 7 and name HB1 ))
ASSI { 100}
( segid "SID " and resid 9 and name HG2%)
( segid "SID " and resid 9 and name HD1%)
2.200 0.600 0.600 peak 100 spectrum 1 weight 0.10000E+01 volume 0.10815E-01 ppm1 0.997 ppm2 0.631 CV 1
OR { 100}
( segid "SID " and resid 9 and name HG2%)
( segid "SID " and resid 13 and name HD1%)
ASSI { 110}
(( segid "SID " and resid 13 and name HA ))
(( segid "SID " and resid 13 and name HG ))
2.700 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.37639E-02 ppm1 3.979 ppm2 1.588 CV 1
OR { 110}
(( segid "SID " and resid 12 and name HA ))
(( segid "SID " and resid 12 and name HG ))
ASSI { 114}
(( segid "SID " and resid 12 and name HA ))
(( segid "SID " and resid 12 and name HB2 ))
2.600 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.49476E-02 ppm1 3.954 ppm2 1.282 CV 1
OR { 114}
(( segid "SID " and resid 12 and name HA ))
( segid "SID " and resid 15 and name HB% )
ASSI { 9}
(( segid "PAH " and resid 298 and name HB2 ))
(( segid "PAH " and resid 299 and name HN ))
2.900 1.000 1.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.25470E-02 ppm1 8.280 ppm2 2.753 CV 1
OR { 9}
(( segid "PAH " and resid 299 and name HB2 ))
(( segid "PAH " and resid 299 and name HN ))
OR { 9}
(( segid "PAH " and resid 298 and name HB1 ))
(( segid "PAH " and resid 299 and name HN ))
ASSI { 22}
(( segid "PAH " and resid 302 and name HB ))
(( segid "PAH " and resid 302 and name HN ))
2.400 0.700 0.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.65192E-02 ppm1 8.378 ppm2 2.061 CV 1
OR { 22}
(( segid "PAH " and resid 301 and name HB2 ))
(( segid "PAH " and resid 302 and name HN ))
ASSI { 32}
( segid "SID " and resid 11 and name HE% )
(( segid "PAH " and resid 303 and name HN ))
3.900 1.900 1.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.60968E-03 ppm1 8.844 ppm2 2.215 CV 1
OR { 32}
(( segid "PAH " and resid 300 and name HG2 ))
(( segid "PAH " and resid 303 and name HN ))
ASSI { 33}
(( segid "PAH " and resid 303 and name HB2 ))
(( segid "PAH " and resid 303 and name HN ))
2.400 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.66511E-02 ppm1 8.844 ppm2 2.070 CV 1
OR { 33}
(( segid "PAH " and resid 302 and name HB ))
(( segid "PAH " and resid 303 and name HN ))
OR { 33}
(( segid "PAH " and resid 303 and name HB1 ))
(( segid "PAH " and resid 303 and name HN ))
ASSI { 55}
(( segid "PAH " and resid 303 and name HB2 ))
(( segid "PAH " and resid 305 and name HN ))
4.200 2.200 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.34047E-03 ppm1 8.233 ppm2 2.072 CV 1
OR { 55}
(( segid "PAH " and resid 303 and name HB1 ))
(( segid "PAH " and resid 305 and name HN ))
OR { 55}
(( segid "PAH " and resid 302 and name HB ))
(( segid "PAH " and resid 305 and name HN ))
OR { 55}
(( segid "PAH " and resid 301 and name HB2 ))
(( segid "PAH " and resid 305 and name HN ))
ASSI { 56}
(( segid "PAH " and resid 307 and name HN ))
(( segid "PAH " and resid 306 and name HN ))
2.800 1.000 1.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 8.052 ppm2 8.220 CV 1
OR { 56}
(( segid "PAH " and resid 305 and name HN ))
(( segid "PAH " and resid 306 and name HN ))
ASSI { 70}
(( segid "PAH " and resid 309 and name HN ))
(( segid "PAH " and resid 308 and name HN ))
2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.26657E-02 ppm1 8.282 ppm2 8.042 CV 1
OR { 70}
(( segid "PAH " and resid 298 and name HN ))
(( segid "PAH " and resid 299 and name HN ))
ASSI { 95}
(( segid "PAH " and resid 310 and name HA ))
(( segid "PAH " and resid 310 and name HN ))
2.900 1.000 1.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.23042E-02 ppm1 8.355 ppm2 4.436 CV 1
OR { 95}
(( segid "PAH " and resid 309 and name HA ))
(( segid "PAH " and resid 310 and name HN ))
ASSI { 99}
(( segid "PAH " and resid 310 and name HB2 ))
(( segid "PAH " and resid 310 and name HN ))
2.500 0.800 0.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.54898E-02 ppm1 8.355 ppm2 2.903 CV 1
OR { 99}
(( segid "PAH " and resid 309 and name HB2 ))
(( segid "PAH " and resid 310 and name HN ))
ASSI { 104}
(( segid "PAH " and resid 307 and name HA ))
(( segid "PAH " and resid 311 and name HN ))
3.800 1.800 1.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.64135E-03 ppm1 8.523 ppm2 4.155 CV 1
OR { 104}
(( segid "SID " and resid 16 and name HA ))
(( segid "PAH " and resid 311 and name HN ))
ASSI { 106}
(( segid "PAH " and resid 310 and name HB1 ))
(( segid "PAH " and resid 311 and name HN ))
2.600 0.800 0.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.27185E-02 ppm1 8.520 ppm2 3.383 CV 1
OR { 106}
(( segid "PAH " and resid 311 and name HA ))
(( segid "PAH " and resid 311 and name HN ))
ASSI { 112}
(( segid "PAH " and resid 309 and name HA ))
(( segid "PAH " and resid 312 and name HN ))
3.600 1.600 1.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.67831E-03 ppm1 8.476 ppm2 4.445 CV 1
OR { 112}
(( segid "PAH " and resid 310 and name HA ))
(( segid "PAH " and resid 312 and name HN ))
ASSI { 115}
(( segid "PAH " and resid 311 and name HA ))
(( segid "PAH " and resid 312 and name HN ))
3.500 1.600 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.77065E-03 ppm1 8.481 ppm2 3.379 CV 1
OR { 115}
(( segid "PAH " and resid 310 and name HB1 ))
(( segid "PAH " and resid 312 and name HN ))
ASSI { 123}
(( segid "PAH " and resid 310 and name HA ))
(( segid "PAH " and resid 313 and name HN ))
3.100 1.200 1.200 peak 123 spectrum 1 weight 0.10000E+01 volume 0.15994E-02 ppm1 7.813 ppm2 4.437 CV 1
OR { 123}
(( segid "PAH " and resid 309 and name HA ))
(( segid "PAH " and resid 313 and name HN ))
ASSI { 124}
(( segid "PAH " and resid 313 and name HA ))
(( segid "PAH " and resid 313 and name HN ))
2.600 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.42229E-02 ppm1 7.810 ppm2 3.943 CV 1
OR { 124}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 345 and name HN ))
ASSI { 125}
(( segid "PAH " and resid 311 and name HA ))
(( segid "PAH " and resid 313 and name HN ))
3.800 1.800 1.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.51994E-03 ppm1 7.811 ppm2 3.391 CV 1
OR { 125}
(( segid "PAH " and resid 310 and name HB1 ))
(( segid "PAH " and resid 313 and name HN ))
ASSI { 128}
(( segid "PAH " and resid 314 and name HG11))
(( segid "PAH " and resid 313 and name HN ))
4.200 2.200 1.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.54634E-03 ppm1 7.813 ppm2 1.166 CV 1
OR { 128}
(( segid "PAH " and resid 313 and name HG2 ))
(( segid "PAH " and resid 313 and name HN ))
ASSI { 130}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 313 and name HN ))
3.500 1.500 1.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.17024E-02 ppm1 7.815 ppm2 1.582 CV 1
OR { 130}
(( segid "PAH " and resid 315 and name HB1 ))
(( segid "PAH " and resid 313 and name HN ))
ASSI { 133}
(( segid "PAH " and resid 311 and name HA ))
(( segid "PAH " and resid 314 and name HN ))
3.300 1.300 1.300 peak 133 spectrum 1 weight 0.10000E+01 volume 0.11771E-02 ppm1 7.710 ppm2 3.388 CV 1
OR { 133}
(( segid "PAH " and resid 376 and name HB2 ))
(( segid "PAH " and resid 375 and name HN ))
ASSI { 136}
(( segid "PAH " and resid 313 and name HB1 ))
(( segid "PAH " and resid 314 and name HN ))
2.300 0.600 0.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.70470E-02 ppm1 7.710 ppm2 1.945 CV 1
OR { 136}
(( segid "PAH " and resid 375 and name HB2 ))
(( segid "PAH " and resid 375 and name HN ))
OR { 136}
(( segid "PAH " and resid 313 and name HB2 ))
(( segid "PAH " and resid 314 and name HN ))
ASSI { 141}
(( segid "PAH " and resid 313 and name HG1 ))
(( segid "PAH " and resid 314 and name HN ))
3.900 1.900 1.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.67039E-03 ppm1 7.704 ppm2 1.579 CV 1
OR { 141}
(( segid "PAH " and resid 372 and name HG ))
(( segid "PAH " and resid 375 and name HN ))
ASSI { 149}
(( segid "PAH " and resid 315 and name HA ))
(( segid "PAH " and resid 315 and name HN ))
2.800 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.26657E-02 ppm1 8.346 ppm2 3.152 CV 1
OR { 149}
(( segid "PAH " and resid 314 and name HA ))
(( segid "PAH " and resid 315 and name HN ))
ASSI { 165}
(( segid "PAH " and resid 315 and name HA ))
(( segid "PAH " and resid 316 and name HN ))
3.300 1.300 1.300 peak 165 spectrum 1 weight 0.10000E+01 volume 0.11481E-02 ppm1 8.102 ppm2 3.161 CV 1
OR { 165}
(( segid "PAH " and resid 314 and name HA ))
(( segid "PAH " and resid 316 and name HN ))
ASSI { 174}
(( segid "PAH " and resid 314 and name HA ))
(( segid "PAH " and resid 317 and name HN ))
3.500 1.500 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.78651E-03 ppm1 8.127 ppm2 3.140 CV 1
OR { 174}
(( segid "PAH " and resid 317 and name HD1 ))
(( segid "PAH " and resid 317 and name HN ))
ASSI { 188}
(( segid "PAH " and resid 314 and name HA ))
(( segid "PAH " and resid 318 and name HN ))
3.100 1.200 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.14384E-02 ppm1 7.322 ppm2 3.147 CV 1
OR { 188}
(( segid "PAH " and resid 315 and name HA ))
(( segid "PAH " and resid 318 and name HN ))
ASSI { 198}
(( segid "PAH " and resid 317 and name HA ))
(( segid "PAH " and resid 319 and name HN ))
3.600 1.600 1.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.83401E-03 ppm1 7.222 ppm2 3.845 CV 1
OR { 198}
(( segid "PAH " and resid 318 and name HB1 ))
(( segid "PAH " and resid 319 and name HN ))
OR { 198}
(( segid "PAH " and resid 320 and name HA2 ))
(( segid "PAH " and resid 319 and name HN ))
ASSI { 199}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 319 and name HN ))
3.200 1.300 1.300 peak 199 spectrum 1 weight 0.10000E+01 volume 0.23886E-02 ppm1 7.223 ppm2 2.440 CV 1
OR { 199}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 319 and name HN ))
OR { 199}
(( segid "PAH " and resid 319 and name HG2 ))
(( segid "PAH " and resid 319 and name HN ))
ASSI { 205}
(( segid "PAH " and resid 320 and name HA1 ))
(( segid "PAH " and resid 320 and name HN ))
2.600 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.37214E-02 ppm1 8.890 ppm2 4.232 CV 1
OR { 205}
(( segid "PAH " and resid 352 and name HA ))
(( segid "PAH " and resid 352 and name HN ))
ASSI { 207}
(( segid "PAH " and resid 319 and name HG1 ))
(( segid "PAH " and resid 320 and name HN ))
3.100 1.200 1.200 peak 207 spectrum 1 weight 0.10000E+01 volume 0.18818E-02 ppm1 8.890 ppm2 2.433 CV 1
OR { 207}
(( segid "PAH " and resid 338 and name HG2 ))
(( segid "PAH " and resid 352 and name HN ))
OR { 207}
(( segid "PAH " and resid 319 and name HG2 ))
(( segid "PAH " and resid 320 and name HN ))
ASSI { 208}
(( segid "PAH " and resid 319 and name HB1 ))
(( segid "PAH " and resid 320 and name HN ))
3.100 1.200 1.200 peak 208 spectrum 1 weight 0.10000E+01 volume 0.12326E-02 ppm1 8.881 ppm2 2.240 CV 1
OR { 208}
(( segid "PAH " and resid 338 and name HB1 ))
(( segid "PAH " and resid 352 and name HN ))
ASSI { 209}
(( segid "PAH " and resid 319 and name HB2 ))
(( segid "PAH " and resid 320 and name HN ))
3.700 1.700 1.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.13434E-02 ppm1 8.886 ppm2 2.086 CV 1
OR { 209}
(( segid "PAH " and resid 351 and name HG1 ))
(( segid "PAH " and resid 352 and name HN ))
ASSI { 217}
(( segid "PAH " and resid 318 and name HB1 ))
(( segid "PAH " and resid 321 and name HN ))
3.100 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.17419E-02 ppm1 7.772 ppm2 3.852 CV 1
OR { 217}
(( segid "PAH " and resid 320 and name HA2 ))
(( segid "PAH " and resid 321 and name HN ))
ASSI { 219}
(( segid "PAH " and resid 321 and name HG1 ))
(( segid "PAH " and resid 321 and name HN ))
3.300 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.15915E-02 ppm1 7.777 ppm2 2.463 CV 1
OR { 219}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 321 and name HN ))
ASSI { 231}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 323 and name HN ))
3.900 1.900 1.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.60441E-03 ppm1 9.037 ppm2 2.451 CV 1
OR { 231}
(( segid "PAH " and resid 321 and name HG1 ))
(( segid "PAH " and resid 323 and name HN ))
ASSI { 238}
(( segid "PAH " and resid 326 and name HN ))
(( segid "PAH " and resid 324 and name HN ))
3.500 1.500 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.75486E-03 ppm1 8.047 ppm2 7.923 CV 1
OR { 238}
(( segid "PAH " and resid 327 and name HN ))
(( segid "PAH " and resid 324 and name HN ))
ASSI { 242}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 373 and name HN ))
3.100 1.200 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.13725E-02 ppm1 8.052 ppm2 4.400 CV 1
OR { 242}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 324 and name HN ))
ASSI { 247}
(( segid "PAH " and resid 321 and name HG1 ))
(( segid "PAH " and resid 324 and name HN ))
4.000 2.000 2.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.57801E-03 ppm1 8.049 ppm2 2.461 CV 1
OR { 247}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 324 and name HN ))
OR { 247}
(( segid "PAH " and resid 370 and name HG2 ))
(( segid "PAH " and resid 373 and name HN ))
OR { 247}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 324 and name HN ))
ASSI { 263}
(( segid "PAH " and resid 318 and name HB2 ))
(( segid "PAH " and resid 325 and name HN ))
3.800 1.800 1.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.57537E-03 ppm1 6.992 ppm2 2.441 CV 1
OR { 263}
(( segid "PAH " and resid 322 and name HB1 ))
(( segid "PAH " and resid 325 and name HN ))
ASSI { 264}
(( segid "PAH " and resid 322 and name HB2 ))
(( segid "PAH " and resid 325 and name HN ))
4.100 2.100 1.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.42229E-03 ppm1 6.986 ppm2 2.155 CV 1
OR { 264}
(( segid "PAH " and resid 321 and name HB2 ))
(( segid "PAH " and resid 325 and name HN ))
ASSI { 268}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 325 and name HN ))
3.800 1.800 1.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.86041E-03 ppm1 6.983 ppm2 0.751 CV 1
OR { 268}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 325 and name HN ))
ASSI { 277}
(( segid "PAH " and resid 326 and name HG1 ))
(( segid "PAH " and resid 326 and name HN ))
3.200 1.300 1.300 peak 277 spectrum 1 weight 0.10000E+01 volume 0.23015E-02 ppm1 7.942 ppm2 1.628 CV 1
OR { 277}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 326 and name HN ))
ASSI { 283}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 327 and name HN ))
2.900 1.000 1.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.23147E-02 ppm1 7.950 ppm2 3.717 CV 1
OR { 283}
(( segid "PAH " and resid 324 and name HA ))
(( segid "PAH " and resid 327 and name HN ))
ASSI { 291}
(( segid "PAH " and resid 327 and name HA ))
(( segid "PAH " and resid 328 and name HN ))
3.500 1.600 1.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.78913E-03 ppm1 8.112 ppm2 4.099 CV 1
OR { 291}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 292}
(( segid "PAH " and resid 328 and name HA ))
(( segid "PAH " and resid 328 and name HN ))
2.700 0.900 0.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.30352E-02 ppm1 8.112 ppm2 3.877 CV 1
OR { 292}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 293}
(( segid "PAH " and resid 324 and name HA ))
(( segid "PAH " and resid 328 and name HN ))
4.000 2.000 2.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.35367E-03 ppm1 8.115 ppm2 3.720 CV 1
OR { 293}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 328 and name HN ))
ASSI { 297}
(( segid "PAH " and resid 330 and name HN ))
(( segid "PAH " and resid 329 and name HN ))
2.500 0.800 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.45397E-02 ppm1 7.724 ppm2 8.123 CV 1
OR { 297}
(( segid "PAH " and resid 328 and name HN ))
(( segid "PAH " and resid 329 and name HN ))
ASSI { 300}
(( segid "PAH " and resid 327 and name HA ))
(( segid "PAH " and resid 329 and name HN ))
4.100 2.100 1.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.38798E-03 ppm1 7.726 ppm2 4.106 CV 1
OR { 300}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 329 and name HN ))
ASSI { 303}
(( segid "PAH " and resid 328 and name HB1 ))
(( segid "PAH " and resid 329 and name HN ))
2.300 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.50939E-02 ppm1 7.727 ppm2 3.434 CV 1
OR { 303}
(( segid "PAH " and resid 329 and name HA ))
(( segid "PAH " and resid 329 and name HN ))
ASSI { 309}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 327 and name HN ))
3.500 1.500 1.500 peak 309 spectrum 1 weight 0.10000E+01 volume 0.69414E-03 ppm1 7.950 ppm2 0.771 CV 1
OR { 309}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 327 and name HN ))
OR { 309}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 327 and name HN ))
ASSI { 310}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 328 and name HN ))
2.800 1.000 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.29033E-02 ppm1 8.109 ppm2 0.771 CV 1
OR { 310}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 328 and name HN ))
OR { 310}
( segid "PAH " and resid 324 and name HD1%)
(( segid "PAH " and resid 328 and name HN ))
ASSI { 311}
( segid "PAH " and resid 314 and name HG2%)
(( segid "PAH " and resid 329 and name HN ))
4.100 2.100 1.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.28241E-03 ppm1 7.725 ppm2 0.778 CV 1
OR { 311}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 329 and name HN ))
OR { 311}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 329 and name HN ))
ASSI { 315}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 330 and name HN ))
2.500 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.46716E-02 ppm1 8.132 ppm2 4.112 CV 1
OR { 315}
(( segid "PAH " and resid 327 and name HA ))
(( segid "PAH " and resid 330 and name HN ))
ASSI { 316}
(( segid "PAH " and resid 366 and name HB1 ))
(( segid "PAH " and resid 369 and name HN ))
3.500 1.500 1.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.69150E-03 ppm1 8.139 ppm2 3.739 CV 1
OR { 316}
(( segid "PAH " and resid 326 and name HA ))
(( segid "PAH " and resid 330 and name HN ))
ASSI { 317}
(( segid "PAH " and resid 329 and name HA ))
(( segid "PAH " and resid 330 and name HN ))
3.500 1.500 1.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.86572E-03 ppm1 8.132 ppm2 3.429 CV 1
OR { 317}
(( segid "PAH " and resid 328 and name HB1 ))
(( segid "PAH " and resid 330 and name HN ))
ASSI { 318}
(( segid "PAH " and resid 369 and name HG2 ))
(( segid "PAH " and resid 369 and name HN ))
3.000 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.22249E-02 ppm1 8.136 ppm2 2.273 CV 1
OR { 318}
(( segid "PAH " and resid 330 and name HG1 ))
(( segid "PAH " and resid 330 and name HN ))
OR { 318}
(( segid "PAH " and resid 330 and name HG2 ))
(( segid "PAH " and resid 330 and name HN ))
ASSI { 320}
(( segid "PAH " and resid 329 and name HB1 ))
(( segid "PAH " and resid 330 and name HN ))
3.000 1.100 1.100 peak 320 spectrum 1 weight 0.10000E+01 volume 0.34311E-02 ppm1 8.132 ppm2 1.756 CV 1
OR { 320}
(( segid "PAH " and resid 331 and name HG11))
(( segid "PAH " and resid 330 and name HN ))
ASSI { 326}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 331 and name HN ))
3.200 1.300 1.300 peak 326 spectrum 1 weight 0.10000E+01 volume 0.12537E-02 ppm1 7.857 ppm2 4.113 CV 1
OR { 326}
(( segid "PAH " and resid 327 and name HA ))
(( segid "PAH " and resid 331 and name HN ))
ASSI { 329}
(( segid "PAH " and resid 329 and name HA ))
(( segid "PAH " and resid 331 and name HN ))
5.100 3.300 0.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.73108E-04 ppm1 7.853 ppm2 3.423 CV 1
OR { 329}
(( segid "PAH " and resid 328 and name HB1 ))
(( segid "PAH " and resid 331 and name HN ))
ASSI { 336}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 331 and name HN ))
3.900 1.900 1.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.27977E-03 ppm1 7.852 ppm2 0.528 CV 1
OR { 336}
( segid "SID " and resid 13 and name HD2%)
(( segid "PAH " and resid 331 and name HN ))
ASSI { 347}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 332 and name HN ))
3.200 1.300 1.300 peak 347 spectrum 1 weight 0.10000E+01 volume 0.21405E-02 ppm1 7.224 ppm2 0.532 CV 1
OR { 347}
( segid "SID " and resid 13 and name HD2%)
(( segid "PAH " and resid 332 and name HN ))
ASSI { 361}
( segid "SID " and resid 13 and name HD1%)
(( segid "PAH " and resid 333 and name HN ))
3.800 1.800 1.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.61760E-03 ppm1 8.861 ppm2 0.621 CV 1
OR { 361}
( segid "PAH " and resid 329 and name HD2%)
(( segid "PAH " and resid 333 and name HN ))
ASSI { 362}
( segid "SID " and resid 13 and name HD2%)
(( segid "PAH " and resid 333 and name HN ))
3.400 1.500 1.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.10979E-02 ppm1 8.859 ppm2 0.522 CV 1
OR { 362}
( segid "PAH " and resid 332 and name HD1%)
(( segid "PAH " and resid 333 and name HN ))
ASSI { 368}
(( segid "PAH " and resid 330 and name HA ))
(( segid "PAH " and resid 334 and name HN ))
3.900 1.900 1.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.54370E-03 ppm1 8.612 ppm2 4.105 CV 1
OR { 368}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 334 and name HN ))
ASSI { 398}
(( segid "PAH " and resid 337 and name HB2 ))
(( segid "PAH " and resid 336 and name HN ))
3.800 1.800 1.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.53314E-03 ppm1 8.423 ppm2 1.938 CV 1
OR { 398}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 336 and name HN ))
ASSI { 403}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
2.600 0.900 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.35631E-02 ppm1 8.156 ppm2 3.966 CV 1
OR { 403}
(( segid "PAH " and resid 334 and name HA ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 406}
(( segid "PAH " and resid 336 and name HG1 ))
(( segid "PAH " and resid 337 and name HN ))
4.200 2.200 1.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.44077E-03 ppm1 8.151 ppm2 2.423 CV 1
OR { 406}
(( segid "PAH " and resid 338 and name HG2 ))
(( segid "PAH " and resid 337 and name HN ))
ASSI { 413}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 338 and name HN ))
2.500 0.800 0.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.51994E-02 ppm1 8.060 ppm2 4.161 CV 1
OR { 413}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HN ))
OR { 413}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 415}
(( segid "PAH " and resid 338 and name HG2 ))
(( segid "PAH " and resid 338 and name HN ))
2.800 1.000 1.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.29033E-02 ppm1 8.063 ppm2 2.408 CV 1
OR { 415}
(( segid "PAH " and resid 344 and name HG1 ))
(( segid "PAH " and resid 344 and name HN ))
OR { 415}
(( segid "PAH " and resid 338 and name HG2 ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 416}
(( segid "PAH " and resid 338 and name HB1 ))
(( segid "PAH " and resid 338 and name HN ))
2.200 0.600 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.91585E-02 ppm1 8.063 ppm2 2.218 CV 1
OR { 416}
(( segid "PAH " and resid 338 and name HB2 ))
(( segid "PAH " and resid 338 and name HN ))
OR { 416}
(( segid "PAH " and resid 338 and name HB2 ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 417}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 339 and name HN ))
2.600 0.800 0.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.45132E-02 ppm1 8.058 ppm2 3.895 CV 1
OR { 417}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 418}
(( segid "PAH " and resid 339 and name HB1 ))
(( segid "PAH " and resid 339 and name HN ))
2.400 0.700 0.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.64663E-02 ppm1 8.060 ppm2 2.008 CV 1
OR { 418}
(( segid "PAH " and resid 344 and name HB2 ))
(( segid "PAH " and resid 344 and name HN ))
OR { 418}
(( segid "PAH " and resid 337 and name HB1 ))
(( segid "PAH " and resid 338 and name HN ))
ASSI { 419}
(( segid "PAH " and resid 339 and name HG2 ))
(( segid "PAH " and resid 339 and name HN ))
2.200 0.600 0.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.11481E-01 ppm1 8.057 ppm2 1.911 CV 1
OR { 419}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 339 and name HN ))
OR { 419}
(( segid "PAH " and resid 343 and name HB2 ))
(( segid "PAH " and resid 344 and name HN ))
OR { 419}
(( segid "PAH " and resid 343 and name HB1 ))
(( segid "PAH " and resid 344 and name HN ))
ASSI { 423}
(( segid "PAH " and resid 339 and name HA ))
(( segid "PAH " and resid 340 and name HN ))
3.100 1.200 1.200 peak 423 spectrum 1 weight 0.10000E+01 volume 0.14490E-02 ppm1 8.004 ppm2 3.883 CV 1
OR { 423}
(( segid "PAH " and resid 336 and name HA ))
(( segid "PAH " and resid 340 and name HN ))
ASSI { 426}
(( segid "PAH " and resid 340 and name HB2 ))
(( segid "PAH " and resid 340 and name HN ))
2.100 0.600 0.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.12986E-01 ppm1 8.004 ppm2 1.898 CV 1
OR { 426}
(( segid "PAH " and resid 340 and name HB1 ))
(( segid "PAH " and resid 340 and name HN ))
OR { 426}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 340 and name HN ))
ASSI { 434}
(( segid "PAH " and resid 337 and name HA ))
(( segid "PAH " and resid 341 and name HN ))
3.700 1.700 1.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.59121E-03 ppm1 8.291 ppm2 3.948 CV 1
OR { 434}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 341 and name HN ))
ASSI { 440}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 341 and name HN ))
4.100 2.100 1.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.47244E-03 ppm1 8.291 ppm2 1.456 CV 1
OR { 440}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 341 and name HN ))
ASSI { 462}
(( segid "PAH " and resid 345 and name HN ))
(( segid "PAH " and resid 344 and name HN ))
2.300 0.700 0.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.66247E-02 ppm1 8.042 ppm2 7.784 CV 1
OR { 462}
(( segid "PAH " and resid 343 and name HN ))
(( segid "PAH " and resid 344 and name HN ))
ASSI { 463}
(( segid "PAH " and resid 341 and name HA ))
(( segid "PAH " and resid 344 and name HN ))
3.200 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.13302E-02 ppm1 8.041 ppm2 4.316 CV 1
OR { 463}
(( segid "PAH " and resid 305 and name HA ))
(( segid "PAH " and resid 306 and name HN ))
ASSI { 464}
(( segid "PAH " and resid 338 and name HA ))
(( segid "PAH " and resid 338 and name HN ))
2.500 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.52787E-02 ppm1 8.042 ppm2 4.146 CV 1
OR { 464}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 344 and name HN ))
OR { 464}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 344 and name HN ))
ASSI { 465}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 338 and name HN ))
4.600 2.600 1.400 peak 465 spectrum 1 weight 0.10000E+01 volume 0.14859E-03 ppm1 8.046 ppm2 4.038 CV 1
OR { 465}
(( segid "PAH " and resid 340 and name HA ))
(( segid "PAH " and resid 344 and name HN ))
OR { 465}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 466}
(( segid "PAH " and resid 344 and name HG1 ))
(( segid "PAH " and resid 344 and name HN ))
3.100 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.24493E-02 ppm1 8.039 ppm2 2.381 CV 1
OR { 466}
(( segid "PAH " and resid 361 and name HG2 ))
(( segid "PAH " and resid 360 and name HN ))
OR { 466}
(( segid "PAH " and resid 341 and name HB2 ))
(( segid "PAH " and resid 344 and name HN ))
OR { 466}
(( segid "PAH " and resid 341 and name HB2 ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 469}
(( segid "PAH " and resid 344 and name HB2 ))
(( segid "PAH " and resid 344 and name HN ))
2.200 0.600 0.600 peak 469 spectrum 1 weight 0.10000E+01 volume 0.10716E-01 ppm1 8.040 ppm2 1.948 CV 1
OR { 469}
(( segid "PAH " and resid 339 and name HG2 ))
(( segid "PAH " and resid 339 and name HN ))
OR { 469}
(( segid "PAH " and resid 339 and name HB2 ))
(( segid "PAH " and resid 339 and name HN ))
OR { 469}
(( segid "PAH " and resid 337 and name HB2 ))
(( segid "PAH " and resid 338 and name HN ))
OR { 469}
(( segid "PAH " and resid 343 and name HB1 ))
(( segid "PAH " and resid 344 and name HN ))
ASSI { 470}
(( segid "PAH " and resid 337 and name HG1 ))
(( segid "PAH " and resid 338 and name HN ))
4.400 2.400 1.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.27449E-03 ppm1 8.044 ppm2 1.570 CV 1
OR { 470}
(( segid "PAH " and resid 343 and name HG1 ))
(( segid "PAH " and resid 344 and name HN ))
OR { 470}
(( segid "PAH " and resid 340 and name HG2 ))
(( segid "PAH " and resid 344 and name HN ))
ASSI { 471}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 338 and name HN ))
3.700 1.700 1.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.89206E-03 ppm1 8.039 ppm2 1.441 CV 1
OR { 471}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 344 and name HN ))
OR { 471}
(( segid "PAH " and resid 343 and name HG2 ))
(( segid "PAH " and resid 344 and name HN ))
OR { 471}
( segid "PAH " and resid 307 and name HB% )
(( segid "PAH " and resid 306 and name HN ))
OR { 471}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 344 and name HN ))
ASSI { 472}
(( segid "PAH " and resid 344 and name HN ))
(( segid "PAH " and resid 345 and name HN ))
2.400 0.700 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.60177E-02 ppm1 7.805 ppm2 8.042 CV 1
OR { 472}
(( segid "PAH " and resid 346 and name HN ))
(( segid "PAH " and resid 345 and name HN ))
ASSI { 473}
(( segid "PAH " and resid 345 and name HA ))
(( segid "PAH " and resid 345 and name HN ))
2.600 0.800 0.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.45924E-02 ppm1 7.805 ppm2 4.341 CV 1
OR { 473}
(( segid "PAH " and resid 312 and name HA ))
(( segid "PAH " and resid 313 and name HN ))
ASSI { 474}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 345 and name HN ))
2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.30616E-02 ppm1 7.804 ppm2 4.148 CV 1
OR { 474}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 345 and name HN ))
ASSI { 480}
(( segid "PAH " and resid 343 and name HA ))
(( segid "PAH " and resid 346 and name HN ))
3.700 1.700 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.55954E-03 ppm1 8.033 ppm2 4.144 CV 1
OR { 480}
(( segid "PAH " and resid 344 and name HA ))
(( segid "PAH " and resid 346 and name HN ))
ASSI { 485}
(( segid "PAH " and resid 347 and name HA2 ))
(( segid "PAH " and resid 347 and name HN ))
2.500 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.60705E-02 ppm1 8.254 ppm2 3.894 CV 1
OR { 485}
(( segid "PAH " and resid 346 and name HA2 ))
(( segid "PAH " and resid 347 and name HN ))
ASSI { 486}
(( segid "PAH " and resid 347 and name HA1 ))
(( segid "PAH " and resid 347 and name HN ))
2.400 0.700 0.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.59384E-02 ppm1 8.253 ppm2 4.068 CV 1
OR { 486}
(( segid "PAH " and resid 346 and name HA1 ))
(( segid "PAH " and resid 347 and name HN ))
ASSI { 488}
(( segid "PAH " and resid 347 and name HN ))
(( segid "PAH " and resid 348 and name HN ))
3.400 1.400 1.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.99499E-03 ppm1 8.099 ppm2 8.260 CV 1
OR { 488}
(( segid "PAH " and resid 341 and name HN ))
(( segid "PAH " and resid 339 and name HN ))
ASSI { 490}
(( segid "PAH " and resid 347 and name HA1 ))
(( segid "PAH " and resid 348 and name HN ))
2.800 1.000 1.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.26921E-02 ppm1 8.101 ppm2 4.069 CV 1
OR { 490}
(( segid "PAH " and resid 335 and name HA ))
(( segid "PAH " and resid 338 and name HN ))
ASSI { 494}
(( segid "PAH " and resid 337 and name HG2 ))
(( segid "PAH " and resid 338 and name HN ))
3.800 1.800 1.800 peak 494 spectrum 1 weight 0.10000E+01 volume 0.45661E-03 ppm1 8.100 ppm2 1.452 CV 1
OR { 494}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 348 and name HN ))
ASSI { 498}
(( segid "PAH " and resid 347 and name HA2 ))
(( segid "PAH " and resid 349 and name HN ))
3.800 1.800 1.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.68622E-03 ppm1 7.927 ppm2 3.909 CV 1
OR { 498}
(( segid "PAH " and resid 342 and name HA ))
(( segid "PAH " and resid 349 and name HN ))
ASSI { 500}
(( segid "PAH " and resid 349 and name HB2 ))
(( segid "PAH " and resid 349 and name HN ))
2.600 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.48300E-02 ppm1 7.920 ppm2 2.774 CV 1
OR { 500}
(( segid "PAH " and resid 348 and name HB2 ))
(( segid "PAH " and resid 349 and name HN ))
ASSI { 501}
( segid "PAH " and resid 345 and name HB% )
(( segid "PAH " and resid 349 and name HN ))
3.500 1.500 1.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 7.920 ppm2 1.447 CV 1
OR { 501}
( segid "PAH " and resid 342 and name HB% )
(( segid "PAH " and resid 349 and name HN ))
ASSI { 503}
(( segid "PAH " and resid 349 and name HA ))
(( segid "PAH " and resid 350 and name HN ))
2.200 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.11982E-01 ppm1 7.997 ppm2 4.526 CV 1
OR { 503}
(( segid "PAH " and resid 350 and name HA ))
(( segid "PAH " and resid 350 and name HN ))
ASSI { 555}
(( segid "PAH " and resid 355 and name HG2 ))
(( segid "PAH " and resid 356 and name HN ))
4.300 2.400 1.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.46980E-03 ppm1 8.393 ppm2 2.368 CV 1
OR { 555}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 356 and name HN ))
ASSI { 569}
(( segid "PAH " and resid 357 and name HB2 ))
(( segid "PAH " and resid 357 and name HN ))
2.300 0.600 0.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.68095E-02 ppm1 7.748 ppm2 2.098 CV 1
OR { 569}
(( segid "PAH " and resid 356 and name HB2 ))
(( segid "PAH " and resid 357 and name HN ))
ASSI { 570}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 357 and name HN ))
3.400 1.400 1.400 peak 570 spectrum 1 weight 0.10000E+01 volume 0.65455E-03 ppm1 7.746 ppm2 1.551 CV 1
OR { 570}
(( segid "PAH " and resid 353 and name HB2 ))
(( segid "PAH " and resid 357 and name HN ))
ASSI { 573}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 357 and name HN ))
4.000 2.000 2.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.59384E-03 ppm1 7.748 ppm2 0.814 CV 1
OR { 573}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 357 and name HN ))
ASSI { 578}
(( segid "PAH " and resid 355 and name HA ))
(( segid "PAH " and resid 358 and name HN ))
3.100 1.200 1.200 peak 578 spectrum 1 weight 0.10000E+01 volume 0.15572E-02 ppm1 8.249 ppm2 3.710 CV 1
OR { 578}
(( segid "PAH " and resid 301 and name HD1 ))
(( segid "PAH " and resid 300 and name HN ))
ASSI { 580}
(( segid "PAH " and resid 357 and name HB1 ))
(( segid "PAH " and resid 358 and name HN ))
2.700 0.900 0.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.29033E-02 ppm1 8.250 ppm2 2.327 CV 1
OR { 580}
(( segid "PAH " and resid 300 and name HG1 ))
(( segid "PAH " and resid 300 and name HN ))
ASSI { 582}
(( segid "PAH " and resid 355 and name HB2 ))
(( segid "PAH " and resid 358 and name HN ))
3.000 3.000 3.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 8.250 ppm2 2.047 CV 1
OR { 582}
(( segid "PAH " and resid 301 and name HG1 ))
(( segid "PAH " and resid 300 and name HN ))
OR { 582}
(( segid "PAH " and resid 301 and name HG2 ))
(( segid "PAH " and resid 300 and name HN ))
OR { 582}
(( segid "PAH " and resid 361 and name HB2 ))
(( segid "PAH " and resid 358 and name HN ))
ASSI { 601}
(( segid "PAH " and resid 361 and name HN ))
(( segid "PAH " and resid 360 and name HN ))
2.500 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.50675E-02 ppm1 8.006 ppm2 8.214 CV 1
OR { 601}
(( segid "PAH " and resid 359 and name HN ))
(( segid "PAH " and resid 360 and name HN ))
ASSI { 624}
( segid "PAH " and resid 358 and name HG2%)
(( segid "PAH " and resid 361 and name HN ))
3.800 1.800 1.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.95542E-03 ppm1 8.185 ppm2 0.743 CV 1
OR { 624}
( segid "PAH " and resid 331 and name HD1%)
(( segid "PAH " and resid 361 and name HN ))
ASSI { 654}
(( segid "PAH " and resid 364 and name HG2 ))
(( segid "PAH " and resid 364 and name HN ))
3.600 1.600 1.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.89475E-03 ppm1 7.173 ppm2 1.569 CV 1
OR { 654}
( segid "PAH " and resid 360 and name HB% )
(( segid "PAH " and resid 364 and name HN ))
ASSI { 657}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 364 and name HN ))
4.000 2.000 2.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.22513E-03 ppm1 7.175 ppm2 0.792 CV 1
OR { 657}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 364 and name HN ))
OR { 657}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 364 and name HN ))
OR { 657}
( segid "PAH " and resid 358 and name HG1%)
(( segid "PAH " and resid 364 and name HN ))
ASSI { 672}
(( segid "PAH " and resid 365 and name HA ))
(( segid "PAH " and resid 366 and name HN ))
3.100 1.200 1.200 peak 672 spectrum 1 weight 0.10000E+01 volume 0.17763E-02 ppm1 8.310 ppm2 4.030 CV 1
OR { 672}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 366 and name HN ))
ASSI { 676}
(( segid "PAH " and resid 364 and name HB1 ))
(( segid "PAH " and resid 366 and name HN ))
3.300 1.400 1.400 peak 676 spectrum 1 weight 0.10000E+01 volume 0.11534E-02 ppm1 8.316 ppm2 1.862 CV 1
OR { 676}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 366 and name HN ))
OR { 676}
(( segid "PAH " and resid 364 and name HB2 ))
(( segid "PAH " and resid 366 and name HN ))
ASSI { 685}
(( segid "PAH " and resid 365 and name HA ))
(( segid "PAH " and resid 365 and name HN ))
2.700 0.900 0.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.32200E-02 ppm1 7.432 ppm2 4.025 CV 1
OR { 685}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 365 and name HN ))
ASSI { 687}
(( segid "PAH " and resid 360 and name HA ))
(( segid "PAH " and resid 363 and name HN ))
3.000 1.100 1.100 peak 687 spectrum 1 weight 0.10000E+01 volume 0.21748E-02 ppm1 8.734 ppm2 4.040 CV 1
OR { 687}
(( segid "PAH " and resid 364 and name HA ))
(( segid "PAH " and resid 363 and name HN ))
ASSI { 696}
( segid "PAH " and resid 365 and name HD2%)
(( segid "PAH " and resid 366 and name HN ))
2.900 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 8.316 ppm2 0.775 CV 1
OR { 696}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 366 and name HN ))
OR { 696}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 366 and name HN ))
ASSI { 704}
(( segid "PAH " and resid 367 and name HB2 ))
(( segid "PAH " and resid 368 and name HN ))
3.800 1.800 1.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.74432E-03 ppm1 9.024 ppm2 1.874 CV 1
OR { 704}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 368 and name HN ))
ASSI { 718}
(( segid "PAH " and resid 369 and name HN ))
(( segid "PAH " and resid 370 and name HN ))
3.300 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.12378E-02 ppm1 8.711 ppm2 8.175 CV 1
OR { 718}
(( segid "PAH " and resid 361 and name HN ))
(( segid "PAH " and resid 363 and name HN ))
ASSI { 740}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 372 and name HN ))
2.500 0.800 0.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.49355E-02 ppm1 7.751 ppm2 4.377 CV 1
OR { 740}
(( segid "PAH " and resid 371 and name HA ))
(( segid "PAH " and resid 372 and name HN ))
OR { 740}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 375 and name HN ))
OR { 740}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 375 and name HN ))
ASSI { 750}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 373 and name HN ))
2.700 0.900 0.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.30088E-02 ppm1 8.023 ppm2 4.399 CV 1
OR { 750}
(( segid "PAH " and resid 323 and name HA ))
(( segid "PAH " and resid 324 and name HN ))
OR { 750}
(( segid "PAH " and resid 372 and name HA ))
(( segid "PAH " and resid 373 and name HN ))
ASSI { 751}
(( segid "PAH " and resid 374 and name HB2 ))
(( segid "PAH " and resid 373 and name HN ))
4.500 2.600 1.500 peak 751 spectrum 1 weight 0.10000E+01 volume 0.22909E-03 ppm1 8.017 ppm2 4.081 CV 1
OR { 751}
(( segid "PAH " and resid 376 and name HB1 ))
(( segid "PAH " and resid 373 and name HN ))
OR { 751}
(( segid "PAH " and resid 374 and name HB1 ))
(( segid "PAH " and resid 373 and name HN ))
ASSI { 755}
(( segid "PAH " and resid 373 and name HG ))
(( segid "PAH " and resid 373 and name HN ))
3.200 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.17288E-02 ppm1 8.021 ppm2 1.873 CV 1
OR { 755}
(( segid "PAH " and resid 369 and name HB1 ))
(( segid "PAH " and resid 373 and name HN ))
ASSI { 757}
(( segid "PAH " and resid 324 and name HB ))
(( segid "PAH " and resid 324 and name HN ))
2.700 0.900 0.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.32463E-02 ppm1 8.022 ppm2 1.611 CV 1
OR { 757}
(( segid "PAH " and resid 372 and name HB1 ))
(( segid "PAH " and resid 373 and name HN ))
ASSI { 771}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 375 and name HN ))
4.000 2.000 2.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.67039E-03 ppm1 7.741 ppm2 6.780 CV 1
OR { 771}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 372 and name HN ))
ASSI { 772}
(( segid "PAH " and resid 374 and name HB1 ))
(( segid "PAH " and resid 375 and name HN ))
2.500 0.800 0.800 peak 772 spectrum 1 weight 0.10000E+01 volume 0.56481E-02 ppm1 7.738 ppm2 4.089 CV 1
OR { 772}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 375 and name HN ))
OR { 772}
(( segid "PAH " and resid 374 and name HB2 ))
(( segid "PAH " and resid 375 and name HN ))
ASSI { 776}
( segid "PAH " and resid 376 and name HD% )
(( segid "PAH " and resid 377 and name HN ))
3.900 1.900 1.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.65983E-03 ppm1 7.807 ppm2 7.395 CV 1
OR { 776}
( segid "PAH " and resid 376 and name HD% )
(( segid "PAH " and resid 376 and name HN ))
ASSI { 777}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 376 and name HN ))
3.700 1.700 1.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.54106E-03 ppm1 7.808 ppm2 6.774 CV 1
OR { 777}
( segid "PAH " and resid 310 and name HE% )
(( segid "PAH " and resid 377 and name HN ))
ASSI { 778}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 376 and name HN ))
3.400 1.400 1.400 peak 778 spectrum 1 weight 0.10000E+01 volume 0.98975E-03 ppm1 7.806 ppm2 4.431 CV 1
OR { 778}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 377 and name HN ))
ASSI { 779}
(( segid "PAH " and resid 376 and name HA ))
(( segid "PAH " and resid 376 and name HN ))
2.700 0.900 0.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.34311E-02 ppm1 7.805 ppm2 4.351 CV 1
OR { 779}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 377 and name HN ))
OR { 779}
(( segid "PAH " and resid 376 and name HA ))
(( segid "PAH " and resid 377 and name HN ))
ASSI { 783}
(( segid "PAH " and resid 375 and name HB1 ))
(( segid "PAH " and resid 376 and name HN ))
3.300 1.400 1.400 peak 783 spectrum 1 weight 0.10000E+01 volume 0.13514E-02 ppm1 7.803 ppm2 2.111 CV 1
OR { 783}
(( segid "PAH " and resid 378 and name HG2 ))
(( segid "PAH " and resid 377 and name HN ))
OR { 783}
(( segid "PAH " and resid 375 and name HB1 ))
(( segid "PAH " and resid 377 and name HN ))
ASSI { 788}
(( segid "PAH " and resid 377 and name HA1 ))
(( segid "PAH " and resid 377 and name HN ))
2.200 0.600 0.600 peak 788 spectrum 1 weight 0.10000E+01 volume 0.88420E-02 ppm1 7.821 ppm2 4.092 CV 1
OR { 788}
(( segid "PAH " and resid 376 and name HB1 ))
(( segid "PAH " and resid 376 and name HN ))
OR { 788}
(( segid "PAH " and resid 376 and name HB1 ))
(( segid "PAH " and resid 377 and name HN ))
ASSI { 795}
(( segid "PAH " and resid 377 and name HA1 ))
(( segid "PAH " and resid 378 and name HN ))
2.800 1.000 1.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.27185E-02 ppm1 7.511 ppm2 4.099 CV 1
OR { 795}
(( segid "PAH " and resid 375 and name HA ))
(( segid "PAH " and resid 378 and name HN ))
ASSI { 798}
(( segid "PAH " and resid 376 and name HA ))
(( segid "PAH " and resid 378 and name HN ))
4.800 2.900 1.200 peak 798 spectrum 1 weight 0.10000E+01 volume 0.12246E-03 ppm1 7.511 ppm2 4.352 CV 1
OR { 798}
(( segid "PAH " and resid 374 and name HA ))
(( segid "PAH " and resid 378 and name HN ))
ASSI { 820}
(( segid "PAH " and resid 379 and name HA ))
(( segid "PAH " and resid 380 and name HN ))
3.200 1.300 1.300 peak 820 spectrum 1 weight 0.10000E+01 volume 0.17446E-02 ppm1 6.967 ppm2 4.119 CV 1
OR { 820}
(( segid "PAH " and resid 377 and name HA1 ))
(( segid "PAH " and resid 380 and name HN ))
ASSI { 848}
( segid "PAH " and resid 331 and name HG2%)
(( segid "PAH " and resid 362 and name HN ))
3.400 1.500 1.500 peak 848 spectrum 1 weight 0.10000E+01 volume 0.89475E-03 ppm1 8.404 ppm2 0.790 CV 1
OR { 848}
( segid "PAH " and resid 365 and name HD1%)
(( segid "PAH " and resid 362 and name HN ))
ASSI { 850}
(( segid "PAH " and resid 373 and name HA ))
(( segid "PAH " and resid 374 and name HN ))
3.100 1.200 1.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.14226E-02 ppm1 8.547 ppm2 4.415 CV 1
OR { 850}
(( segid "PAH " and resid 371 and name HA ))
(( segid "PAH " and resid 374 and name HN ))
ASSI { 851}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 377 and name HN ))
4.200 2.200 1.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.30352E-03 ppm1 7.824 ppm2 0.792 CV 1
OR { 851}
( segid "PAH " and resid 380 and name HD1%)
(( segid "PAH " and resid 377 and name HN ))
OR { 851}
( segid "PAH " and resid 373 and name HD2%)
(( segid "PAH " and resid 376 and name HN ))
OR { 851}
( segid "SID " and resid 12 and name HD1%)
(( segid "PAH " and resid 376 and name HN ))
OR { 851}
( segid "SID " and resid 12 and name HD1%)
(( segid "PAH " and resid 377 and name HN ))
Contact the webmaster for help, if required. Thursday, May 9, 2024 8:16:14 PM GMT (wattos1)