NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
26584 |
2nmb   |
4263 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 8}
(( segid PTB and resid 144 and name HN ))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
3.200 2.000 2.000 peak 8 weight 0.10000E+01 volume 0.15292E+01 ppm1 8.468 ppm2 0.868
OR { 8}
(( segid PTB and resid 144 and name HN ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
ASSI { 18}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 119 and name HN ))
3.400 2.300 2.100 peak 18 weight 0.10000E+01 volume 0.10899E+01 ppm1 8.979 ppm2 9.124
OR { 18}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 133 and name HN ))
ASSI { 34}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 174 and name HA ))
2.500 1.300 1.300 peak 34 weight 0.10000E+01 volume 0.66217E+01 ppm1 8.711 ppm2 5.506
OR { 34}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 163 and name HA ))
ASSI { 47}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 177 and name HB1 ))
3.400 2.300 2.100 peak 47 weight 0.10000E+01 volume 0.94510E+00 ppm1 9.698 ppm2 3.210
OR { 47}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 180 and name HB2 ))
OR { 47}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 158 and name HD1 ))
ASSI { 70}
(( segid PTB and resid 69 and name HE1 ))
(( segid PTB and resid 186 and name HA ))
3.100 1.900 1.900 peak 70 weight 0.10000E+01 volume 0.17602E+01 ppm1 10.227 ppm2 2.955
OR { 70}
(( segid PTB and resid 69 and name HE1 ))
(( segid PTB and resid 72 and name HB1 ))
ASSI { 100}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 132 and name HN ))
3.400 2.300 2.100 peak 100 weight 0.10000E+01 volume 0.10262E+01 ppm1 8.733 ppm2 8.861
OR { 100}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 130 and name HN ))
OR { 100}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 139 and name HN ))
ASSI { 126}
(( segid PTB and resid 172 and name HE1 ))
(( segid PTB and resid 95 and name HA ))
3.200 2.000 2.000 peak 126 weight 0.10000E+01 volume 0.16061E+01 ppm1 10.019 ppm2 4.293
OR { 126}
(( segid PTB and resid 172 and name HE1 ))
(( segid PTB and resid 165 and name HA ))
ASSI { 127}
(( segid PTB and resid 172 and name HE1 ))
(( segid PTB and resid 96 and name HB2 ))
3.300 2.200 2.200 peak 127 weight 0.10000E+01 volume 0.11724E+01 ppm1 10.021 ppm2 1.456
OR { 127}
(( segid PTB and resid 172 and name HE1 ))
(( segid PTB and resid 171 and name HG1 ))
ASSI { 137}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 157 and name HB2 ))
3.300 2.200 2.200 peak 137 weight 0.10000E+01 volume 0.13207E+01 ppm1 9.105 ppm2 2.847
OR { 137}
(( segid PTB and resid 99 and name HN ))
(( segid PTB and resid 99 and name HG2 ))
ASSI { 145}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.600 1.400 1.400 peak 145 weight 0.10000E+01 volume 0.46483E+01 ppm1 8.418 ppm2 0.905
OR { 145}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
ASSI { 153}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
3.000 1.800 1.800 peak 153 weight 0.10000E+01 volume 0.20006E+01 ppm1 9.813 ppm2 0.867
OR { 153}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
OR { 153}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
OR { 153}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
ASSI { 162}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
3.000 1.800 1.800 peak 162 weight 0.10000E+01 volume 0.19685E+01 ppm1 8.413 ppm2 0.775
OR { 162}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
ASSI { 168}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 129 and name HB1 ))
3.300 2.200 2.200 peak 168 weight 0.10000E+01 volume 0.12737E+01 ppm1 9.819 ppm2 1.647
OR { 168}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 130 and name HB ))
OR { 168}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 129 and name HB2 ))
ASSI { 179}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
3.400 2.300 2.100 peak 179 weight 0.10000E+01 volume 0.97550E+00 ppm1 9.110 ppm2 0.815
OR { 179}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
ASSI { 188}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
2.800 1.600 1.600 peak 188 weight 0.10000E+01 volume 0.29903E+01 ppm1 8.680 ppm2 0.583
OR { 188}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
ASSI { 205}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 135 and name HN ))
3.500 2.500 2.000 peak 205 weight 0.10000E+01 volume 0.93060E+00 ppm1 9.124 ppm2 8.071
OR { 205}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 136 and name HN ))
ASSI { 207}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 114 and name HN ))
3.100 1.900 1.900 peak 207 weight 0.10000E+01 volume 0.17684E+01 ppm1 8.656 ppm2 7.908
OR { 207}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 90 and name HN ))
ASSI { 222}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 163 and name HB ))
3.300 2.200 2.200 peak 222 weight 0.10000E+01 volume 0.13266E+01 ppm1 8.059 ppm2 1.679
OR { 222}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 144 and name HB ))
ASSI { 227}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 148 and name HA ))
3.100 1.900 1.900 peak 227 weight 0.10000E+01 volume 0.16301E+01 ppm1 8.082 ppm2 4.427
OR { 227}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 147 and name HA ))
ASSI { 277}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
3.400 2.300 2.100 peak 277 weight 0.10000E+01 volume 0.10796E+01 ppm1 8.813 ppm2 0.599
OR { 277}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
ASSI { 296}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
3.300 2.200 2.200 peak 296 weight 0.10000E+01 volume 0.11289E+01 ppm1 9.677 ppm2 0.596
OR { 296}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
ASSI { 302}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 86 and name HB2 ))
3.300 2.200 2.200 peak 302 weight 0.10000E+01 volume 0.11144E+01 ppm1 9.662 ppm2 1.852
OR { 302}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 121 and name HB1 ))
ASSI { 309}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 128 and name HN ))
3.100 1.900 1.900 peak 309 weight 0.10000E+01 volume 0.17858E+01 ppm1 8.807 ppm2 8.548
OR { 309}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 129 and name HN ))
ASSI { 317}
(( segid PTB and resid 143 and name HN ))
(( segid PTB and resid 144 and name HB ))
3.300 2.200 2.200 peak 317 weight 0.10000E+01 volume 0.12470E+01 ppm1 8.743 ppm2 1.666
OR { 317}
(( segid PTB and resid 143 and name HN ))
(( segid PTB and resid 129 and name HG1 ))
OR { 317}
(( segid PTB and resid 143 and name HN ))
(( segid PTB and resid 129 and name HG2 ))
OR { 317}
(( segid PTB and resid 143 and name HN ))
(( segid PTB and resid 144 and name HG11))
ASSI { 322}
(( segid PTB and resid 143 and name HN ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
3.400 2.300 2.100 peak 322 weight 0.10000E+01 volume 0.97390E+00 ppm1 8.720 ppm2 0.806
OR { 322}
(( segid PTB and resid 143 and name HN ))
(( segid PTB and resid 128 and name HD21)
OR
( segid PTB and resid 128 and name HD23)
OR
( segid PTB and resid 128 and name HD22))
OR { 322}
(( segid PTB and resid 143 and name HN ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
ASSI { 335}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
3.400 2.300 2.100 peak 335 weight 0.10000E+01 volume 0.93900E+00 ppm1 8.804 ppm2 1.375
OR { 335}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
ASSI { 336}
(( segid PTB and resid 82 and name HN ))
(( segid PTB and resid 83 and name HN ))
3.300 2.200 2.200 peak 336 weight 0.10000E+01 volume 0.12078E+01 ppm1 8.009 ppm2 8.570
OR { 336}
(( segid PTB and resid 82 and name HN ))
(( segid PTB and resid 80 and name HN ))
ASSI { 346}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
3.000 1.800 1.800 peak 346 weight 0.10000E+01 volume 0.21617E+01 ppm1 8.825 ppm2 0.555
OR { 346}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
ASSI { 354}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 80 and name HB ))
3.400 2.300 2.100 peak 354 weight 0.10000E+01 volume 0.10335E+01 ppm1 7.441 ppm2 4.332
OR { 354}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 123 and name HA ))
ASSI { 372}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
3.300 2.200 2.200 peak 372 weight 0.10000E+01 volume 0.13072E+01 ppm1 9.062 ppm2 0.619
OR { 372}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 374}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
3.300 2.200 2.200 peak 374 weight 0.10000E+01 volume 0.12014E+01 ppm1 9.056 ppm2 0.117
OR { 374}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
ASSI { 378}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 177 and name HB1 ))
3.400 2.300 2.100 peak 378 weight 0.10000E+01 volume 0.94140E+00 ppm1 8.820 ppm2 3.155
OR { 378}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 176 and name HA2 ))
ASSI { 390}
(( segid PTB and resid 65 and name HN ))
(( segid PTB and resid 66 and name HD1 ))
2.800 1.600 1.600 peak 390 weight 0.10000E+01 volume 0.30213E+01 ppm1 8.131 ppm2 3.597
OR { 390}
(( segid PTB and resid 65 and name HN ))
(( segid PTB and resid 66 and name HD2 ))
OR { 390}
(( segid PTB and resid 79 and name HN ))
(( segid PTB and resid 125 and name HA1 ))
ASSI { 400}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
3.300 2.200 2.200 peak 400 weight 0.10000E+01 volume 0.11267E+01 ppm1 7.434 ppm2 1.532
OR { 400}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 128 and name HG ))
ASSI { 411}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 83 and name HN ))
3.500 2.500 2.000 peak 411 weight 0.10000E+01 volume 0.90090E+00 ppm1 8.318 ppm2 8.565
OR { 411}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 129 and name HN ))
ASSI { 415}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 122 and name HB1 ))
2.800 1.600 1.600 peak 415 weight 0.10000E+01 volume 0.30982E+01 ppm1 8.318 ppm2 3.002
OR { 415}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 82 and name HB1 ))
OR { 415}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 122 and name HB2 ))
ASSI { 419}
(( segid PTB and resid 210 and name HN ))
(( segid PTB and resid 210 and name HB1 )
OR
( segid PTB and resid 210 and name HB3 )
OR
( segid PTB and resid 210 and name HB2 ))
3.000 1.800 1.800 peak 419 weight 0.10000E+01 volume 0.19977E+01 ppm1 8.206 ppm2 1.419
OR { 419}
(( segid PTB and resid 210 and name HN ))
(( segid PTB and resid 209 and name HB1 )
OR
( segid PTB and resid 209 and name HB3 )
OR
( segid PTB and resid 209 and name HB2 ))
ASSI { 420}
(( segid PTB and resid 79 and name HN ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
3.400 2.300 2.100 peak 420 weight 0.10000E+01 volume 0.98860E+00 ppm1 8.084 ppm2 1.026
OR { 420}
(( segid PTB and resid 79 and name HN ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
ASSI { 456}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 71 and name HA ))
3.300 2.200 2.200 peak 456 weight 0.10000E+01 volume 0.13017E+01 ppm1 7.867 ppm2 4.216
OR { 456}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 81 and name HA ))
ASSI { 458}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 74 and name HG1 ))
3.200 2.000 2.000 peak 458 weight 0.10000E+01 volume 0.15917E+01 ppm1 7.865 ppm2 2.278
OR { 458}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 73 and name HB1 ))
OR { 458}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 73 and name HB2 ))
ASSI { 483}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 101 and name HA ))
3.400 2.300 2.100 peak 483 weight 0.10000E+01 volume 0.96700E+00 ppm1 7.614 ppm2 3.608
OR { 483}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 161 and name HB1 ))
ASSI { 486}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 103 and name HB1 ))
3.200 2.000 2.000 peak 486 weight 0.10000E+01 volume 0.13336E+01 ppm1 7.619 ppm2 1.935
OR { 486}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 103 and name HB2 ))
OR { 486}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 101 and name HB ))
OR { 486}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 107 and name HB1 ))
ASSI { 495}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 132 and name HA ))
3.100 1.900 1.900 peak 495 weight 0.10000E+01 volume 0.16871E+01 ppm1 8.554 ppm2 4.471
OR { 495}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 133 and name HA ))
ASSI { 497}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 131 and name HB ))
3.200 2.000 2.000 peak 497 weight 0.10000E+01 volume 0.14801E+01 ppm1 8.555 ppm2 1.896
OR { 497}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 121 and name HB1 ))
OR { 497}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 121 and name HB2 ))
ASSI { 510}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 189 and name HA ))
3.300 2.200 2.200 peak 510 weight 0.10000E+01 volume 0.13064E+01 ppm1 7.357 ppm2 4.044
OR { 510}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 188 and name HB2 ))
ASSI { 515}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 187 and name HB1 ))
3.100 1.900 1.900 peak 515 weight 0.10000E+01 volume 0.17094E+01 ppm1 7.355 ppm2 0.668
OR { 515}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 187 and name HB2 ))
OR { 515}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
OR { 515}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
ASSI { 527}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 140 and name HB ))
2.700 1.500 1.500 peak 527 weight 0.10000E+01 volume 0.36415E+01 ppm1 8.864 ppm2 1.586
OR { 527}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 128 and name HB2 ))
ASSI { 572}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
2.700 1.500 1.500 peak 572 weight 0.10000E+01 volume 0.40846E+01 ppm1 7.694 ppm2 1.435
OR { 572}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 181 and name HG2 ))
ASSI { 582}
(( segid PTB and resid 150 and name HN ))
(( segid GPPY and resid 4 and name HN ))
3.400 2.300 2.100 peak 582 weight 0.10000E+01 volume 0.94650E+00 ppm1 8.745 ppm2 7.697
OR { 582}
(( segid PTB and resid 150 and name HN ))
(( segid PTB and resid 161 and name HN ))
ASSI { 587}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 123 and name HN ))
3.400 2.300 2.100 peak 587 weight 0.10000E+01 volume 0.97190E+00 ppm1 8.605 ppm2 8.306
OR { 587}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 124 and name HN ))
ASSI { 592}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 91 and name HB ))
2.200 2.200 2.300 peak 592 weight 0.10000E+01 volume 0.12346E+02 ppm1 8.600 ppm2 1.990
OR { 592}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 107 and name HB1 ))
OR { 592}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 107 and name HB2 ))
ASSI { 593}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
2.800 1.600 1.600 peak 593 weight 0.10000E+01 volume 0.34736E+01 ppm1 8.567 ppm2 0.775
OR { 593}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 109 and name HG ))
OR { 593}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 128 and name HD21)
OR
( segid PTB and resid 128 and name HD23)
OR
( segid PTB and resid 128 and name HD22))
ASSI { 595}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 105 and name HA ))
3.400 2.300 2.100 peak 595 weight 0.10000E+01 volume 0.93300E+00 ppm1 8.561 ppm2 4.006
OR { 595}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 112 and name HB1 ))
OR { 595}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 110 and name HA ))
OR { 595}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 127 and name HA1 ))
ASSI { 603}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
3.300 2.200 2.200 peak 603 weight 0.10000E+01 volume 0.11625E+01 ppm1 8.542 ppm2 1.288
OR { 603}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 107 and name HG2 ))
ASSI { 616}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 87 and name HB1 ))
3.200 2.000 2.000 peak 616 weight 0.10000E+01 volume 0.13695E+01 ppm1 8.031 ppm2 2.875
OR { 616}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 89 and name HA2 ))
ASSI { 662}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 80 and name HN ))
3.500 2.500 2.000 peak 662 weight 0.10000E+01 volume 0.90000E+00 ppm1 8.310 ppm2 8.556
OR { 662}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 128 and name HN ))
OR { 662}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 129 and name HN ))
ASSI { 670}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
3.200 2.000 2.000 peak 670 weight 0.10000E+01 volume 0.13570E+01 ppm1 8.034 ppm2 0.606
OR { 670}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
ASSI { 673}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 175 and name HN ))
3.300 2.200 2.200 peak 673 weight 0.10000E+01 volume 0.12754E+01 ppm1 9.720 ppm2 8.728
OR { 673}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 166 and name HN ))
ASSI { 678}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 163 and name HB ))
3.200 2.000 2.000 peak 678 weight 0.10000E+01 volume 0.14482E+01 ppm1 9.713 ppm2 1.678
OR { 678}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 173 and name HB1 ))
ASSI { 679}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
3.400 2.300 2.100 peak 679 weight 0.10000E+01 volume 0.10034E+01 ppm1 9.719 ppm2 1.361
OR { 679}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 165 and name HB1 ))
ASSI { 681}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.900 1.700 1.700 peak 681 weight 0.10000E+01 volume 0.24778E+01 ppm1 9.713 ppm2 0.628
OR { 681}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
ASSI { 699}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 195 and name HD1 )
OR
( segid PTB and resid 195 and name HD2 ))
2.900 1.700 1.700 peak 699 weight 0.10000E+01 volume 0.25104E+01 ppm1 7.470 ppm2 7.023
OR { 699}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 195 and name HD1 )
OR
( segid PTB and resid 195 and name HD2 ))
OR { 699}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
ASSI { 704}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 191 and name HB ))
3.200 2.000 2.000 peak 704 weight 0.10000E+01 volume 0.14883E+01 ppm1 7.469 ppm2 2.128
OR { 704}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 197 and name HB ))
OR { 704}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 76 and name HB ))
OR { 704}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 76 and name HB ))
ASSI { 706}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
3.000 1.800 1.800 peak 706 weight 0.10000E+01 volume 0.21565E+01 ppm1 7.468 ppm2 1.242
OR { 706}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
ASSI { 707}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.900 1.700 1.700 peak 707 weight 0.10000E+01 volume 0.27159E+01 ppm1 7.469 ppm2 0.984
OR { 707}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
ASSI { 716}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 149 and name HA ))
3.400 2.300 2.100 peak 716 weight 0.10000E+01 volume 0.96050E+00 ppm1 9.553 ppm2 5.508
OR { 716}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 163 and name HA ))
ASSI { 744}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
3.300 2.200 2.200 peak 744 weight 0.10000E+01 volume 0.12891E+01 ppm1 7.473 ppm2 0.567
OR { 744}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
OR { 744}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
ASSI { 745}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 73 and name HA ))
3.300 2.200 2.200 peak 745 weight 0.10000E+01 volume 0.12531E+01 ppm1 8.572 ppm2 3.876
OR { 745}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 77 and name HA ))
ASSI { 763}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 152 and name HA ))
2.600 1.400 1.400 peak 763 weight 0.10000E+01 volume 0.48518E+01 ppm1 8.221 ppm2 5.182
OR { 763}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 160 and name HA ))
ASSI { 791}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
3.000 1.800 1.800 peak 791 weight 0.10000E+01 volume 0.21854E+01 ppm1 9.136 ppm2 0.607
OR { 791}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
OR { 791}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
ASSI { 801}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 200 and name HG2 ))
3.000 1.800 1.800 peak 801 weight 0.10000E+01 volume 0.23496E+01 ppm1 8.262 ppm2 2.509
OR { 801}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 200 and name HG1 ))
OR { 801}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 103 and name HG1 ))
ASSI { 835}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 183 and name HB2 ))
3.000 1.800 1.800 peak 835 weight 0.10000E+01 volume 0.20958E+01 ppm1 8.656 ppm2 4.046
OR { 835}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 188 and name HB2 ))
OR { 835}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 188 and name HB1 ))
ASSI { 860}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
3.300 2.200 2.200 peak 860 weight 0.10000E+01 volume 0.12248E+01 ppm1 7.656 ppm2 0.850
OR { 860}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
OR { 860}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
OR { 860}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
ASSI { 861}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 181 and name HG2 ))
3.500 2.500 2.000 peak 861 weight 0.10000E+01 volume 0.91700E+00 ppm1 8.657 ppm2 1.419
OR { 861}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 181 and name HG1 ))
OR { 861}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
ASSI { 864}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 197 and name HA ))
2.800 1.600 1.600 peak 864 weight 0.10000E+01 volume 0.29984E+01 ppm1 8.275 ppm2 3.607
OR { 864}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 197 and name HA ))
OR { 864}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 194 and name HA ))
OR { 864}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 125 and name HA1 ))
ASSI { 865}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 197 and name HB ))
2.900 1.700 1.700 peak 865 weight 0.10000E+01 volume 0.29295E+01 ppm1 8.271 ppm2 2.152
OR { 865}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 197 and name HB ))
ASSI { 870}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 125 and name HA2 ))
3.300 2.200 2.200 peak 870 weight 0.10000E+01 volume 0.11848E+01 ppm1 8.218 ppm2 3.972
OR { 870}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 193 and name HA ))
ASSI { 880}
(( segid PTB and resid 205 and name HN ))
(( segid PTB and resid 205 and name HG1 ))
3.100 1.900 1.900 peak 880 weight 0.10000E+01 volume 0.18838E+01 ppm1 8.072 ppm2 1.727
OR { 880}
(( segid PTB and resid 205 and name HN ))
(( segid PTB and resid 204 and name HG2 ))
OR { 880}
(( segid PTB and resid 205 and name HN ))
(( segid PTB and resid 205 and name HG2 ))
OR { 880}
(( segid PTB and resid 205 and name HN ))
(( segid PTB and resid 204 and name HG1 ))
ASSI { 889}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
3.300 2.200 2.200 peak 889 weight 0.10000E+01 volume 0.11746E+01 ppm1 7.910 ppm2 1.497
OR { 889}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
ASSI { 897}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
3.400 2.300 2.100 peak 897 weight 0.10000E+01 volume 0.10357E+01 ppm1 7.649 ppm2 1.552
OR { 897}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 106 and name HG ))
OR { 897}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 106 and name HB2 ))
OR { 897}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
ASSI { 908}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 125 and name HA2 ))
3.400 2.300 2.100 peak 908 weight 0.10000E+01 volume 0.11042E+01 ppm1 8.279 ppm2 3.960
OR { 908}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 145 and name HA ))
ASSI { 937}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 100 and name HB2 ))
3.200 2.000 2.000 peak 937 weight 0.10000E+01 volume 0.14403E+01 ppm1 6.863 ppm2 2.398
OR { 937}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 104 and name HG1 ))
ASSI { 939}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
3.500 2.500 2.000 peak 939 weight 0.10000E+01 volume 0.92530E+00 ppm1 9.179 ppm2 0.984
OR { 939}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 165 and name HG1 ))
ASSI { 942}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 166 and name HN ))
3.400 2.300 2.100 peak 942 weight 0.10000E+01 volume 0.10242E+01 ppm1 9.173 ppm2 8.706
OR { 942}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 172 and name HN ))
ASSI { 944}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 165 and name HA ))
3.200 2.000 2.000 peak 944 weight 0.10000E+01 volume 0.13695E+01 ppm1 9.168 ppm2 4.304
OR { 944}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 171 and name HA ))
OR { 944}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 169 and name HB ))
ASSI { 946}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 165 and name HB1 ))
3.200 2.000 2.000 peak 946 weight 0.10000E+01 volume 0.13639E+01 ppm1 9.173 ppm2 1.386
OR { 946}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 165 and name HB2 ))
OR { 946}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
ASSI { 964}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 203 and name HA ))
2.500 1.300 1.300 peak 964 weight 0.10000E+01 volume 0.70908E+01 ppm1 7.961 ppm2 4.239
OR { 964}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 204 and name HA ))
ASSI { 990}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.800 1.600 1.600 peak 990 weight 0.10000E+01 volume 0.31429E+01 ppm1 8.907 ppm2 0.583
OR { 990}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
OR { 990}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
ASSI { 992}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 85 and name HB ))
3.400 2.300 2.100 peak 992 weight 0.10000E+01 volume 0.97130E+00 ppm1 8.894 ppm2 2.368
OR { 992}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 160 and name HB2 ))
ASSI { 996}
(( segid PTB and resid 151 and name HN ))
(( segid PTB and resid 162 and name HB1 ))
3.000 1.800 1.800 peak 996 weight 0.10000E+01 volume 0.21299E+01 ppm1 8.569 ppm2 2.696
OR { 996}
(( segid PTB and resid 151 and name HN ))
(( segid GPPY and resid 4 and name HA2 ))
OR { 996}
(( segid PTB and resid 151 and name HN ))
(( segid PTB and resid 99 and name HG1 ))
ASSI { 1008}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
3.400 2.300 2.100 peak 1008 weight 0.10000E+01 volume 0.10262E+01 ppm1 8.453 ppm2 0.822
OR { 1008}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
OR { 1008}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 1012}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 71 and name HA ))
2.800 1.600 1.600 peak 1012 weight 0.10000E+01 volume 0.33409E+01 ppm1 8.225 ppm2 4.206
OR { 1012}
(( segid PTB and resid 199 and name HN ))
(( segid PTB and resid 196 and name HA ))
OR { 1012}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 102 and name HA ))
OR { 1012}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 100 and name HA ))
ASSI { 1016}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 72 and name HB1 ))
2.700 1.500 1.500 peak 1016 weight 0.10000E+01 volume 0.42047E+01 ppm1 8.223 ppm2 2.994
OR { 1016}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 102 and name HB2 ))
ASSI { 1021}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 102 and name HA ))
3.500 2.500 2.000 peak 1021 weight 0.10000E+01 volume 0.90000E+00 ppm1 8.178 ppm2 4.165
OR { 1021}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 100 and name HA ))
OR { 1021}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 70 and name HA ))
ASSI { 1032}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 188 and name HB2 ))
3.300 2.200 2.200 peak 1032 weight 0.10000E+01 volume 0.12386E+01 ppm1 7.754 ppm2 3.968
OR { 1032}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 188 and name HB1 ))
OR { 1032}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 193 and name HA ))
OR { 1032}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 125 and name HA2 ))
ASSI { 1040}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.500 1.300 1.300 peak 1040 weight 0.10000E+01 volume 0.69097E+01 ppm1 7.737 ppm2 0.668
OR { 1040}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
OR { 1040}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 187 and name HB1 ))
ASSI { 1045}
(( segid PTB and resid 199 and name HN ))
(( segid PTB and resid 199 and name HA ))
2.900 1.700 1.700 peak 1045 weight 0.10000E+01 volume 0.27378E+01 ppm1 8.212 ppm2 4.097
OR { 1045}
(( segid PTB and resid 199 and name HN ))
(( segid PTB and resid 198 and name HA ))
ASSI { 1064}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 77 and name HD1 ))
3.400 2.300 2.100 peak 1064 weight 0.10000E+01 volume 0.10443E+01 ppm1 8.072 ppm2 3.072
OR { 1064}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 77 and name HD2 ))
OR { 1064}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 193 and name HB1 ))
ASSI { 1070}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
3.400 2.300 2.100 peak 1070 weight 0.10000E+01 volume 0.99210E+00 ppm1 7.468 ppm2 0.780
OR { 1070}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 109 and name HG ))
OR { 1070}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
ASSI { 1075}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 107 and name HG2 ))
3.200 2.000 2.000 peak 1075 weight 0.10000E+01 volume 0.15512E+01 ppm1 7.437 ppm2 1.325
OR { 1075}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
OR { 1075}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 107 and name HG1 ))
ASSI { 1096}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 139 and name HN ))
2.500 1.300 1.300 peak 1096 weight 0.10000E+01 volume 0.72425E+01 ppm1 7.265 ppm2 8.825
OR { 1096}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 130 and name HN ))
ASSI { 1109}
(( segid PTB and resid 201 and name HN ))
(( segid PTB and resid 201 and name HA ))
2.600 1.400 1.400 peak 1109 weight 0.10000E+01 volume 0.52977E+01 ppm1 8.070 ppm2 4.121
OR { 1109}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 202 and name HA ))
OR { 1109}
(( segid PTB and resid 201 and name HN ))
(( segid PTB and resid 200 and name HA ))
ASSI { 1115}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 107 and name HA ))
2.400 1.200 1.200 peak 1115 weight 0.10000E+01 volume 0.77188E+01 ppm1 7.548 ppm2 3.842
OR { 1115}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 106 and name HA ))
ASSI { 1119}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
3.100 1.900 1.900 peak 1119 weight 0.10000E+01 volume 0.16659E+01 ppm1 7.545 ppm2 1.077
OR { 1119}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 109 and name HB1 ))
ASSI { 1142}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 107 and name HB1 ))
3.500 2.500 2.000 peak 1142 weight 0.10000E+01 volume 0.90000E+00 ppm1 8.517 ppm2 1.928
OR { 1142}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 107 and name HB2 ))
OR { 1142}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 103 and name HB1 ))
OR { 1142}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 103 and name HB2 ))
ASSI { 1172}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 180 and name HB2 ))
3.200 2.000 2.000 peak 1172 weight 0.10000E+01 volume 0.14421E+01 ppm1 7.063 ppm2 3.216
OR { 1172}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 158 and name HD1 ))
ASSI { 1184}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
3.200 2.000 2.000 peak 1184 weight 0.10000E+01 volume 0.13745E+01 ppm1 8.837 ppm2 0.839
OR { 1184}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
OR { 1184}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1190}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 100 and name HB2 ))
2.700 1.500 1.500 peak 1190 weight 0.10000E+01 volume 0.43430E+01 ppm1 8.815 ppm2 2.406
OR { 1190}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 134 and name HG2 ))
ASSI { 1203}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 106 and name HB2 ))
3.400 2.300 2.100 peak 1203 weight 0.10000E+01 volume 0.10377E+01 ppm1 8.455 ppm2 1.535
OR { 1203}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 106 and name HG ))
OR { 1203}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 114 and name HG1 ))
OR { 1203}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 114 and name HG2 ))
ASSI { 1227}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 161 and name HA ))
3.200 2.000 2.000 peak 1227 weight 0.10000E+01 volume 0.14744E+01 ppm1 9.162 ppm2 5.400
OR { 1227}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 177 and name HA ))
ASSI { 1251}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
3.400 2.300 2.100 peak 1251 weight 0.10000E+01 volume 0.10001E+01 ppm1 7.718 ppm2 1.501
OR { 1251}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 77 and name HG2 ))
ASSI { 1258}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 170 and name HD2 ))
3.200 2.000 2.000 peak 1258 weight 0.10000E+01 volume 0.13915E+01 ppm1 7.346 ppm2 3.117
OR { 1258}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 171 and name HD2 ))
OR { 1258}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 171 and name HD1 ))
OR { 1258}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 170 and name HD1 ))
ASSI { 1275}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 170 and name HE ))
3.100 1.900 1.900 peak 1275 weight 0.10000E+01 volume 0.17692E+01 ppm1 7.308 ppm2 7.175
OR { 1275}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 171 and name HE ))
ASSI { 1299}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
2.600 1.400 1.400 peak 1299 weight 0.10000E+01 volume 0.53823E+01 ppm1 8.351 ppm2 0.778
OR { 1299}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
ASSI { 1302}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 172 and name HD1 ))
3.400 2.300 2.100 peak 1302 weight 0.10000E+01 volume 0.10437E+01 ppm1 7.181 ppm2 6.873
OR { 1302}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 97 and name HN ))
ASSI { 1360}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 132 and name HB2 ))
3.400 2.300 2.100 peak 1360 weight 0.10000E+01 volume 0.10277E+01 ppm1 8.062 ppm2 2.589
OR { 1360}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 133 and name HB1 ))
ASSI { 1378}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
3.200 2.000 2.000 peak 1378 weight 0.10000E+01 volume 0.13656E+01 ppm1 8.567 ppm2 0.896
OR { 1378}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
OR { 1378}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
ASSI { 1388}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 193 and name HA ))
3.400 2.300 2.100 peak 1388 weight 0.10000E+01 volume 0.96350E+00 ppm1 8.243 ppm2 3.989
OR { 1388}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 125 and name HA2 ))
ASSI { 1393}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
3.300 2.200 2.200 peak 1393 weight 0.10000E+01 volume 0.11885E+01 ppm1 8.244 ppm2 0.585
OR { 1393}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
ASSI { 1395}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 133 and name HA ))
3.300 2.200 2.200 peak 1395 weight 0.10000E+01 volume 0.12094E+01 ppm1 8.064 ppm2 4.452
OR { 1395}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 132 and name HA ))
ASSI { 1403}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
3.300 2.200 2.200 peak 1403 weight 0.10000E+01 volume 0.12118E+01 ppm1 8.574 ppm2 0.109
OR { 1403}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
ASSI { 1450}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 160 and name CE1 ))
3.800 2.900 1.700 peak 1450 weight 0.10000E+01 volume 0.98070E+00 ppm1 8.065 ppm2 6.991
OR { 1450}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 83 and name HE1 )
OR
( segid PTB and resid 83 and name HE2 ))
OR { 1450}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 69 and name HD1 ))
OR { 1450}
(( segid PTB and resid 189 and name HN ))
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
ASSI { 1458}
(( segid PTB and resid 206 and name HN ))
(( segid PTB and resid 205 and name HB1 ))
3.000 1.800 1.800 peak 1458 weight 0.10000E+01 volume 0.20199E+01 ppm1 8.055 ppm2 1.907
OR { 1458}
(( segid PTB and resid 206 and name HN ))
(( segid PTB and resid 205 and name HB2 ))
OR { 1458}
(( segid PTB and resid 206 and name HN ))
(( segid PTB and resid 204 and name HB2 ))
OR { 1458}
(( segid PTB and resid 206 and name HN ))
(( segid PTB and resid 204 and name HB1 ))
ASSI { 1474}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 112 and name HB2 ))
2.200 2.200 2.300 peak 1474 weight 0.10000E+01 volume 0.13242E+02 ppm1 7.310 ppm2 3.980
OR { 1474}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 110 and name HA ))
ASSI { 1477}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 144 and name HG12))
3.400 2.300 2.100 peak 1477 weight 0.10000E+01 volume 0.95950E+00 ppm1 7.939 ppm2 1.379
OR { 1477}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
ASSI { 1479}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
3.200 2.000 2.000 peak 1479 weight 0.10000E+01 volume 0.14327E+01 ppm1 7.920 ppm2 1.011
OR { 1479}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
ASSI { 1489}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 198 and name HN ))
3.300 2.200 2.200 peak 1489 weight 0.10000E+01 volume 0.11593E+01 ppm1 7.883 ppm2 8.264
OR { 1489}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 197 and name HN ))
OR { 1489}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 195 and name HN ))
ASSI { 1558}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 120 and name HB1 ))
3.400 2.300 2.100 peak 1558 weight 0.10000E+01 volume 0.98180E+00 ppm1 9.083 ppm2 1.506
OR { 1558}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 86 and name HB1 ))
OR { 1558}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 120 and name HB2 ))
ASSI { 1564}
(( segid PTB and resid 158 and name HE ))
(( segid PTB and resid 158 and name HA ))
2.200 2.200 2.300 peak 1564 weight 0.10000E+01 volume 0.13511E+02 ppm1 7.292 ppm2 4.732
OR { 1564}
(( segid PTB and resid 158 and name HE ))
(( segid PTB and resid 155 and name HA ))
ASSI { 1565}
(( segid PTB and resid 158 and name HE ))
(( segid PTB and resid 158 and name HD1 ))
3.100 1.900 1.900 peak 1565 weight 0.10000E+01 volume 0.16980E+01 ppm1 7.292 ppm2 3.169
OR { 1565}
(( segid PTB and resid 201 and name HE ))
(( segid PTB and resid 201 and name HD1 ))
OR { 1565}
(( segid PTB and resid 201 and name HE ))
(( segid PTB and resid 201 and name HD2 ))
ASSI { 1584}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 146 and name HA ))
2.900 1.700 1.700 peak 1584 weight 0.10000E+01 volume 0.26917E+01 ppm1 6.636 ppm2 4.433
OR { 1584}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 143 and name HB ))
ASSI { 1603}
(( segid PTB and resid 114 and name HE ))
(( segid PTB and resid 114 and name HA ))
2.800 1.600 1.600 peak 1603 weight 0.10000E+01 volume 0.35672E+01 ppm1 7.178 ppm2 4.261
OR { 1603}
(( segid PTB and resid 113 and name HE ))
(( segid PTB and resid 114 and name HA ))
OR { 1603}
(( segid PTB and resid 113 and name HE ))
(( segid PTB and resid 113 and name HA ))
ASSI { 1604}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 171 and name HD2 ))
2.800 1.600 1.600 peak 1604 weight 0.10000E+01 volume 0.30450E+01 ppm1 7.176 ppm2 3.107
OR { 1604}
(( segid PTB and resid 154 and name HE ))
(( segid PTB and resid 154 and name HD1 ))
OR { 1604}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 171 and name HD1 ))
ASSI { 1606}
(( segid PTB and resid 205 and name HE ))
(( segid PTB and resid 205 and name HG2 ))
3.300 2.200 2.200 peak 1606 weight 0.10000E+01 volume 0.12683E+01 ppm1 7.174 ppm2 1.758
OR { 1606}
(( segid PTB and resid 205 and name HE ))
(( segid PTB and resid 205 and name HG1 ))
OR { 1606}
(( segid PTB and resid 68 and name HE21))
(( segid PTB and resid 68 and name HB1 ))
ASSI { 1616}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 177 and name HN ))
3.300 2.200 2.200 peak 1616 weight 0.10000E+01 volume 0.11131E+01 ppm1 8.125 ppm2 9.153
OR { 1616}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 163 and name HN ))
ASSI { 1618}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 76 and name HN ))
3.100 1.900 1.900 peak 1618 weight 0.10000E+01 volume 0.17406E+01 ppm1 8.024 ppm2 8.601
OR { 1618}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 80 and name HN ))
ASSI { 1624}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 76 and name HB ))
3.300 2.200 2.200 peak 1624 weight 0.10000E+01 volume 0.11579E+01 ppm1 8.033 ppm2 2.095
OR { 1624}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 74 and name HB1 ))
OR { 1624}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 74 and name HB2 ))
ASSI { 1627}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 77 and name HG2 ))
3.000 1.800 1.800 peak 1627 weight 0.10000E+01 volume 0.20310E+01 ppm1 8.030 ppm2 1.534
OR { 1627}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 77 and name HG1 ))
OR { 1627}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
ASSI { 1629}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
3.300 2.200 2.200 peak 1629 weight 0.10000E+01 volume 0.13116E+01 ppm1 8.027 ppm2 0.992
OR { 1629}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
ASSI { 1655}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 162 and name HE1 )
OR
( segid PTB and resid 162 and name HE2 ))
3.400 2.300 2.100 peak 1655 weight 0.10000E+01 volume 0.10963E+01 ppm1 8.127 ppm2 6.632
OR { 1655}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 87 and name HE1 )
OR
( segid PTB and resid 87 and name HE2 ))
OR { 1655}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 175 and name HD2 ))
ASSI { 1664}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
3.300 2.200 2.200 peak 1664 weight 0.10000E+01 volume 0.12360E+01 ppm1 8.110 ppm2 1.327
OR { 1664}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
OR { 1664}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 88 and name HB1 ))
ASSI { 1665}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
3.400 2.300 2.100 peak 1665 weight 0.10000E+01 volume 0.93800E+00 ppm1 8.120 ppm2 0.832
OR { 1665}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
OR { 1665}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
OR { 1665}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
OR { 1665}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
OR { 1665}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
ASSI { 1800}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 90 and name HB1 ))
2.800 1.600 1.600 peak 1800 weight 0.10000E+01 volume 0.31751E+01 ppm1 7.909 ppm2 1.593
OR { 1800}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 114 and name HG2 ))
OR { 1800}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 114 and name HG1 ))
ASSI { 1818}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 183 and name HB2 ))
3.100 1.900 1.900 peak 1818 weight 0.10000E+01 volume 0.16171E+01 ppm1 9.419 ppm2 4.046
OR { 1818}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 188 and name HB1 ))
OR { 1818}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 188 and name HB2 ))
ASSI { 1829}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 95 and name HG2 ))
2.800 1.600 1.600 peak 1829 weight 0.10000E+01 volume 0.31884E+01 ppm1 7.576 ppm2 2.195
OR { 1829}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 95 and name HG1 ))
OR { 1829}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 93 and name HB ))
ASSI { 1876}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 193 and name HA ))
3.300 2.200 2.200 peak 1876 weight 0.10000E+01 volume 0.11625E+01 ppm1 8.332 ppm2 3.995
OR { 1876}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 188 and name HB2 ))
OR { 1876}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 188 and name HB1 ))
ASSI { 1900}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 136 and name HB1 ))
3.400 2.300 2.100 peak 1900 weight 0.10000E+01 volume 0.10090E+01 ppm1 8.388 ppm2 1.945
OR { 1900}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 131 and name HB ))
ASSI { 1928}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 153 and name HB1 ))
3.400 2.300 2.100 peak 1928 weight 0.10000E+01 volume 0.10640E+01 ppm1 8.481 ppm2 3.355
OR { 1928}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 153 and name HB2 ))
OR { 1928}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 156 and name HB2 ))
ASSI { 1941}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 178 and name HD11)
OR
( segid PTB and resid 178 and name HD13)
OR
( segid PTB and resid 178 and name HD12))
3.400 2.300 2.100 peak 1941 weight 0.10000E+01 volume 0.10706E+01 ppm1 8.471 ppm2 0.817
OR { 1941}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
ASSI { 1955}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 90 and name HB1 ))
3.100 1.900 1.900 peak 1955 weight 0.10000E+01 volume 0.17125E+01 ppm1 7.991 ppm2 1.582
OR { 1955}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 114 and name HG1 ))
OR { 1955}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 114 and name HG2 ))
OR { 1955}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 178 and name HB2 ))
ASSI { 1956}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
3.200 2.000 2.000 peak 1956 weight 0.10000E+01 volume 0.14744E+01 ppm1 7.996 ppm2 0.842
OR { 1956}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
OR { 1956}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
OR { 1956}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
OR { 1956}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
ASSI { 1973}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
3.300 2.200 2.200 peak 1973 weight 0.10000E+01 volume 0.13275E+01 ppm1 9.140 ppm2 1.542
OR { 1973}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 128 and name HG ))
ASSI { 2118}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 99 and name HB2 ))
3.700 2.700 1.800 peak 2118 weight 0.10000E+01 volume 0.59680E+00 ppm1 3.165 ppm2 2.118
OR { 2118}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 99 and name HB1 ))
OR { 2118}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 100 and name HB1 ))
ASSI { 2143}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 105 and name HA ))
2.900 1.700 1.700 peak 2143 weight 0.10000E+01 volume 0.26619E+01 ppm1 8.523 ppm2 4.026
OR { 2143}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 104 and name HA ))
ASSI { 2154}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 93 and name HB ))
3.600 2.600 1.900 peak 2154 weight 0.10000E+01 volume 0.73990E+00 ppm1 8.272 ppm2 2.187
OR { 2154}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 173 and name HG2 ))
ASSI { 2160}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 144 and name HB ))
3.600 2.600 1.900 peak 2160 weight 0.10000E+01 volume 0.69230E+00 ppm1 8.353 ppm2 1.683
OR { 2160}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 129 and name HB1 ))
OR { 2160}
(( segid PTB and resid 68 and name HN ))
(( segid PTB and resid 65 and name HB2 ))
ASSI { 2161}
(( segid PTB and resid 68 and name HN ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
3.600 2.600 1.900 peak 2161 weight 0.10000E+01 volume 0.73770E+00 ppm1 8.324 ppm2 1.511
OR { 2161}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 128 and name HG ))
OR { 2161}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
ASSI { 2163}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
3.500 2.500 2.000 peak 2163 weight 0.10000E+01 volume 0.81750E+00 ppm1 8.331 ppm2 0.259
OR { 2163}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
ASSI { 2165}
(( segid PTB and resid 99 and name HN ))
(( segid PTB and resid 99 and name HG1 ))
3.500 2.500 2.000 peak 2165 weight 0.10000E+01 volume 0.88110E+00 ppm1 9.113 ppm2 2.663
OR { 2165}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 155 and name HB2 ))
ASSI { 2168}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 98 and name HN ))
3.600 2.600 1.900 peak 2168 weight 0.10000E+01 volume 0.70030E+00 ppm1 6.856 ppm2 3.201
OR { 2168}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 102 and name HB1 ))
ASSI { 2169}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 98 and name HA2 ))
3.500 2.500 2.000 peak 2169 weight 0.10000E+01 volume 0.82700E+00 ppm1 7.121 ppm2 4.281
OR { 2169}
(( segid PTB and resid 102 and name HN ))
(( segid GPPY and resid 5 and name HA ))
ASSI { 2180}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 103 and name HA ))
3.500 2.500 2.000 peak 2180 weight 0.10000E+01 volume 0.81250E+00 ppm1 7.617 ppm2 3.847
OR { 2180}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 106 and name HA ))
ASSI { 2181}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 106 and name HB2 ))
3.500 2.500 2.000 peak 2181 weight 0.10000E+01 volume 0.78750E+00 ppm1 7.616 ppm2 1.530
OR { 2181}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 106 and name HG ))
OR { 2181}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
ASSI { 2184}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
3.500 2.500 2.000 peak 2184 weight 0.10000E+01 volume 0.87870E+00 ppm1 8.522 ppm2 1.072
OR { 2184}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 109 and name HB1 ))
ASSI { 2186}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 108 and name HA ))
3.600 2.600 1.900 peak 2186 weight 0.10000E+01 volume 0.76540E+00 ppm1 7.546 ppm2 3.611
OR { 2186}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 161 and name HB2 ))
OR { 2186}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 161 and name HB1 ))
ASSI { 2192}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 110 and name HD2 ))
3.700 2.700 1.800 peak 2192 weight 0.10000E+01 volume 0.58000E+00 ppm1 8.466 ppm2 3.086
OR { 2192}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 176 and name HA2 ))
ASSI { 2198}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
3.600 2.600 1.900 peak 2198 weight 0.10000E+01 volume 0.71820E+00 ppm1 7.523 ppm2 1.070
OR { 2198}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 109 and name HB1 ))
OR { 2198}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 109 and name HB2 ))
ASSI { 2204}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 114 and name HG1 ))
3.500 2.500 2.000 peak 2204 weight 0.10000E+01 volume 0.81330E+00 ppm1 7.307 ppm2 1.589
OR { 2204}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 114 and name HG2 ))
OR { 2204}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 107 and name HD2 ))
ASSI { 2210}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 88 and name HA ))
3.600 2.600 1.900 peak 2210 weight 0.10000E+01 volume 0.77390E+00 ppm1 8.632 ppm2 3.952
OR { 2210}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 112 and name HB2 ))
ASSI { 2215}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 132 and name HB2 ))
3.500 2.500 2.000 peak 2215 weight 0.10000E+01 volume 0.79320E+00 ppm1 8.990 ppm2 2.586
OR { 2215}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 133 and name HB1 ))
ASSI { 2219}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 133 and name HB1 ))
3.800 2.900 1.700 peak 2219 weight 0.10000E+01 volume 0.50190E+00 ppm1 9.110 ppm2 2.597
OR { 2219}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 133 and name HB2 ))
OR { 2219}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 132 and name HB2 ))
OR { 2219}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 180 and name HB1 ))
ASSI { 2220}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 84 and name HA ))
3.600 2.600 1.900 peak 2220 weight 0.10000E+01 volume 0.69030E+00 ppm1 8.556 ppm2 4.938
OR { 2220}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 118 and name HA ))
ASSI { 2221}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 130 and name HA ))
3.800 2.900 1.700 peak 2221 weight 0.10000E+01 volume 0.53750E+00 ppm1 9.067 ppm2 5.394
OR { 2221}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 82 and name HA ))
ASSI { 2232}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 128 and name HB2 ))
3.800 2.900 1.700 peak 2232 weight 0.10000E+01 volume 0.51120E+00 ppm1 8.308 ppm2 1.515
OR { 2232}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 128 and name HG ))
OR { 2232}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 120 and name HB2 ))
OR { 2232}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
OR { 2232}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 120 and name HB1 ))
ASSI { 2233}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
3.700 2.700 1.800 peak 2233 weight 0.10000E+01 volume 0.56480E+00 ppm1 8.316 ppm2 1.025
OR { 2233}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
ASSI { 2234}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 129 and name HB1 ))
3.500 2.500 2.000 peak 2234 weight 0.10000E+01 volume 0.81350E+00 ppm1 8.334 ppm2 1.648
OR { 2234}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 129 and name HG2 ))
OR { 2234}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 129 and name HG1 ))
OR { 2234}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 129 and name HB2 ))
OR { 2234}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 130 and name HB ))
ASSI { 2241}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 125 and name HA1 ))
3.600 2.600 1.900 peak 2241 weight 0.10000E+01 volume 0.68840E+00 ppm1 7.546 ppm2 3.602
OR { 2241}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 194 and name HA ))
ASSI { 2243}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 124 and name HN ))
3.500 2.500 2.000 peak 2243 weight 0.10000E+01 volume 0.79760E+00 ppm1 8.555 ppm2 8.298
OR { 2243}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 123 and name HN ))
ASSI { 2245}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
3.000 1.800 1.800 peak 2245 weight 0.10000E+01 volume 0.22152E+01 ppm1 8.535 ppm2 0.843
OR { 2245}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
OR { 2245}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
OR { 2245}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
ASSI { 2247}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
3.800 2.900 1.700 peak 2247 weight 0.10000E+01 volume 0.53910E+00 ppm1 8.494 ppm2 0.595
OR { 2247}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
OR { 2247}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
ASSI { 2248}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
3.600 2.600 1.900 peak 2248 weight 0.10000E+01 volume 0.69480E+00 ppm1 8.538 ppm2 0.609
OR { 2248}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
OR { 2248}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
OR { 2248}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
OR { 2248}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 121 and name HG ))
ASSI { 2251}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 122 and name HB2 ))
3.500 2.500 2.000 peak 2251 weight 0.10000E+01 volume 0.79800E+00 ppm1 8.871 ppm2 2.962
OR { 2251}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 129 and name HD2 ))
OR { 2251}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 129 and name HD1 ))
ASSI { 2255}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 136 and name HN ))
3.700 2.700 1.800 peak 2255 weight 0.10000E+01 volume 0.61140E+00 ppm1 8.903 ppm2 8.067
OR { 2255}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 135 and name HN ))
ASSI { 2273}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
3.600 2.600 1.900 peak 2273 weight 0.10000E+01 volume 0.77090E+00 ppm1 7.914 ppm2 1.745
OR { 2273}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 139 and name HB ))
ASSI { 2277}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 174 and name HN ))
3.700 2.700 1.800 peak 2277 weight 0.10000E+01 volume 0.61800E+00 ppm1 8.278 ppm2 9.163
OR { 2277}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 173 and name HN ))
ASSI { 2278}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 101 and name HA ))
3.600 2.600 1.900 peak 2278 weight 0.10000E+01 volume 0.72100E+00 ppm1 8.456 ppm2 3.604
OR { 2278}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 161 and name HB1 ))
ASSI { 2283}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 136 and name HD2 ))
3.500 2.500 2.000 peak 2283 weight 0.10000E+01 volume 0.89750E+00 ppm1 8.388 ppm2 1.680
OR { 2283}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 138 and name HB2 ))
ASSI { 2284}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 136 and name HD1 ))
3.800 2.900 1.700 peak 2284 weight 0.10000E+01 volume 0.52560E+00 ppm1 8.390 ppm2 1.558
OR { 2284}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 138 and name HB1 ))
ASSI { 2285}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 129 and name HD2 ))
3.700 2.700 1.800 peak 2285 weight 0.10000E+01 volume 0.57940E+00 ppm1 8.552 ppm2 3.008
OR { 2285}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 122 and name HB2 ))
OR { 2285}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 129 and name HD1 ))
OR { 2285}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 122 and name HB1 ))
OR { 2285}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 191 and name HA ))
ASSI { 2290}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
3.600 2.600 1.900 peak 2290 weight 0.10000E+01 volume 0.73910E+00 ppm1 8.823 ppm2 0.131
OR { 2290}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
ASSI { 2294}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 81 and name HB1 ))
3.500 2.500 2.000 peak 2294 weight 0.10000E+01 volume 0.82630E+00 ppm1 8.581 ppm2 3.051
OR { 2294}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 193 and name HB1 ))
ASSI { 2295}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 78 and name HA ))
3.700 2.700 1.800 peak 2295 weight 0.10000E+01 volume 0.58880E+00 ppm1 8.081 ppm2 4.474
OR { 2295}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 72 and name HA ))
ASSI { 2297}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 99 and name HA ))
3.500 2.500 2.000 peak 2297 weight 0.10000E+01 volume 0.83810E+00 ppm1 8.453 ppm2 4.062
OR { 2297}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 104 and name HA ))
ASSI { 2302}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 186 and name HA ))
3.500 2.500 2.000 peak 2302 weight 0.10000E+01 volume 0.83530E+00 ppm1 8.070 ppm2 2.973
OR { 2302}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 191 and name HA ))
OR { 2302}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 186 and name HD2 ))
ASSI { 2305}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 76 and name HB ))
3.600 2.600 1.900 peak 2305 weight 0.10000E+01 volume 0.67830E+00 ppm1 7.541 ppm2 2.095
OR { 2305}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 191 and name HB ))
ASSI { 2308}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
3.500 2.500 2.000 peak 2308 weight 0.10000E+01 volume 0.82220E+00 ppm1 8.243 ppm2 0.270
OR { 2308}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
ASSI { 2315}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 172 and name HE3 ))
3.600 2.600 1.900 peak 2315 weight 0.10000E+01 volume 0.71040E+00 ppm1 8.244 ppm2 6.890
OR { 2315}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 162 and name HD1 )
OR
( segid PTB and resid 162 and name HD2 ))
OR { 2315}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 172 and name HD1 ))
ASSI { 2319}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
3.700 2.700 1.800 peak 2319 weight 0.10000E+01 volume 0.65640E+00 ppm1 8.730 ppm2 0.647
OR { 2319}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
ASSI { 2322}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
3.500 2.500 2.000 peak 2322 weight 0.10000E+01 volume 0.89000E+00 ppm1 8.731 ppm2 0.819
OR { 2322}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
OR { 2322}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
OR { 2322}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
ASSI { 2324}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 177 and name HB2 ))
3.500 2.500 2.000 peak 2324 weight 0.10000E+01 volume 0.79520E+00 ppm1 7.993 ppm2 2.844
OR { 2324}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 89 and name HA2 ))
ASSI { 2325}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 88 and name HB1 ))
3.800 2.900 1.700 peak 2325 weight 0.10000E+01 volume 0.53830E+00 ppm1 7.989 ppm2 1.365
OR { 2325}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 88 and name HB2 ))
OR { 2325}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
ASSI { 2327}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 123 and name HN ))
3.500 2.500 2.000 peak 2327 weight 0.10000E+01 volume 0.88550E+00 ppm1 7.435 ppm2 8.304
OR { 2327}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 124 and name HN ))
ASSI { 2331}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 176 and name HA2 ))
3.600 2.600 1.900 peak 2331 weight 0.10000E+01 volume 0.70760E+00 ppm1 8.127 ppm2 3.129
OR { 2331}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 102 and name HB1 ))
ASSI { 2333}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 172 and name HA ))
3.500 2.500 2.000 peak 2333 weight 0.10000E+01 volume 0.85360E+00 ppm1 9.712 ppm2 5.249
OR { 2333}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 173 and name HA ))
ASSI { 2335}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 172 and name HE3 ))
3.800 2.900 1.700 peak 2335 weight 0.10000E+01 volume 0.48430E+00 ppm1 9.749 ppm2 6.891
OR { 2335}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 162 and name HD1 )
OR
( segid PTB and resid 162 and name HD2 ))
OR { 2335}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 172 and name HD1 ))
ASSI { 2337}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 172 and name HE3 ))
3.500 2.500 2.000 peak 2337 weight 0.10000E+01 volume 0.85210E+00 ppm1 9.710 ppm2 6.923
OR { 2337}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 162 and name HD1 )
OR
( segid PTB and resid 162 and name HD2 ))
OR { 2337}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 165 and name HE ))
OR { 2337}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 172 and name HD1 ))
ASSI { 2339}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 147 and name HA ))
3.700 2.700 1.800 peak 2339 weight 0.10000E+01 volume 0.62800E+00 ppm1 9.724 ppm2 4.432
OR { 2339}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 148 and name HA ))
OR { 2339}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 169 and name HA ))
ASSI { 2341}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 162 and name HB1 ))
3.800 2.900 1.700 peak 2341 weight 0.10000E+01 volume 0.54780E+00 ppm1 9.694 ppm2 2.685
OR { 2341}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 172 and name HB2 ))
ASSI { 2346}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 161 and name HB2 ))
3.600 2.600 1.900 peak 2346 weight 0.10000E+01 volume 0.78040E+00 ppm1 9.168 ppm2 3.642
OR { 2346}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 161 and name HB1 ))
OR { 2346}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 159 and name HA1 ))
ASSI { 2352}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 154 and name HB2 ))
3.600 2.600 1.900 peak 2352 weight 0.10000E+01 volume 0.68480E+00 ppm1 7.674 ppm2 1.830
OR { 2352}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 154 and name HB1 ))
OR { 2352}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 154 and name HG2 ))
OR { 2352}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 154 and name HG1 ))
OR { 2352}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 158 and name HG1 ))
OR { 2352}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 158 and name HG2 ))
ASSI { 2354}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 176 and name HA1 ))
3.600 2.600 1.900 peak 2354 weight 0.10000E+01 volume 0.77110E+00 ppm1 7.651 ppm2 4.914
OR { 2354}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 151 and name HA ))
ASSI { 2358}
(( segid PTB and resid 80 and name HN ))
(( segid PTB and resid 78 and name HB2 ))
3.800 2.900 1.700 peak 2358 weight 0.10000E+01 volume 0.53740E+00 ppm1 8.608 ppm2 3.931
OR { 2358}
(( segid PTB and resid 80 and name HN ))
(( segid PTB and resid 77 and name HA ))
ASSI { 2363}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 83 and name HE1 )
OR
( segid PTB and resid 83 and name HE2 ))
3.900 3.000 1.600 peak 2363 weight 0.10000E+01 volume 0.50710E+00 ppm1 7.354 ppm2 6.982
OR { 2363}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
OR { 2363}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 160 and name CE1 ))
ASSI { 2384}
(( segid PTB and resid 150 and name HN ))
(( segid PTB and resid 150 and name HB1 ))
3.600 2.600 1.900 peak 2384 weight 0.10000E+01 volume 0.75577E+00 ppm1 8.746 ppm2 2.738
OR { 2384}
(( segid PTB and resid 150 and name HN ))
(( segid GPPY and resid 4 and name HA2 ))
ASSI { 2385}
(( segid PTB and resid 150 and name HN ))
(( segid PTB and resid 149 and name HB1 ))
3.600 2.600 1.900 peak 2385 weight 0.10000E+01 volume 0.66548E+00 ppm1 8.743 ppm2 2.540
OR { 2385}
(( segid PTB and resid 150 and name HN ))
(( segid PTB and resid 149 and name HB2 ))
OR { 2385}
(( segid PTB and resid 150 and name HN ))
(( segid GPPY and resid 4 and name HA1 ))
ASSI { 2387}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 151 and name HA ))
3.700 2.700 1.800 peak 2387 weight 0.10000E+01 volume 0.58071E+00 ppm1 8.229 ppm2 4.926
OR { 2387}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 176 and name HA1 ))
OR { 2387}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 178 and name HA ))
ASSI { 2392}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 153 and name HB2 ))
3.600 2.600 1.900 peak 2392 weight 0.10000E+01 volume 0.74531E+00 ppm1 8.738 ppm2 3.347
OR { 2392}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 153 and name HB1 ))
OR { 2392}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 156 and name HB2 ))
ASSI { 2393}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 156 and name HB1 ))
3.800 2.900 1.700 peak 2393 weight 0.10000E+01 volume 0.51881E+00 ppm1 8.733 ppm2 3.081
OR { 2393}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 154 and name HD1 ))
ASSI { 2396}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 156 and name HA ))
3.600 2.600 1.900 peak 2396 weight 0.10000E+01 volume 0.71438E+00 ppm1 9.846 ppm2 4.569
OR { 2396}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 183 and name HA ))
ASSI { 2403}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 171 and name HD2 ))
3.600 2.600 1.900 peak 2403 weight 0.10000E+01 volume 0.75603E+00 ppm1 7.188 ppm2 3.143
OR { 2403}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 171 and name HD1 ))
OR { 2403}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 98 and name HN ))
ASSI { 2407}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
3.700 2.700 1.800 peak 2407 weight 0.10000E+01 volume 0.57610E+00 ppm1 8.119 ppm2 0.641
OR { 2407}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
OR { 2407}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
OR { 2407}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
OR { 2407}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
ASSI { 2408}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 164 and name HN ))
3.600 2.600 1.900 peak 2408 weight 0.10000E+01 volume 0.66790E+00 ppm1 9.156 ppm2 9.682
OR { 2408}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 87 and name HN ))
ASSI { 2409}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 173 and name HB1 ))
3.500 2.500 2.000 peak 2409 weight 0.10000E+01 volume 0.90000E+00 ppm1 8.730 ppm2 1.674
OR { 2409}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 171 and name HB2 ))
OR { 2409}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 171 and name HB1 ))
ASSI { 2411}
(( segid PTB and resid 167 and name HN ))
(( segid PTB and resid 171 and name HA ))
3.700 2.700 1.800 peak 2411 weight 0.10000E+01 volume 0.65115E+00 ppm1 8.494 ppm2 4.300
OR { 2411}
(( segid PTB and resid 167 and name HN ))
(( segid PTB and resid 168 and name HA ))
OR { 2411}
(( segid PTB and resid 167 and name HN ))
(( segid PTB and resid 169 and name HB ))
OR { 2411}
(( segid PTB and resid 167 and name HN ))
(( segid PTB and resid 165 and name HA ))
ASSI { 2417}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 93 and name HN ))
3.800 2.900 1.700 peak 2417 weight 0.10000E+01 volume 0.51582E+00 ppm1 9.178 ppm2 8.255
OR { 2417}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 165 and name HN ))
ASSI { 2418}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 91 and name HA ))
3.700 2.700 1.800 peak 2418 weight 0.10000E+01 volume 0.60737E+00 ppm1 9.173 ppm2 4.392
OR { 2418}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 93 and name HA ))
ASSI { 2420}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 179 and name HN ))
3.700 2.700 1.800 peak 2420 weight 0.10000E+01 volume 0.64451E+00 ppm1 8.876 ppm2 9.685
OR { 2420}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 87 and name HN ))
ASSI { 2421}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 181 and name HB1 ))
3.500 2.500 2.000 peak 2421 weight 0.10000E+01 volume 0.85360E+00 ppm1 8.250 ppm2 1.823
OR { 2421}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 86 and name HB2 ))
OR { 2421}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 68 and name HB1 ))
OR { 2421}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 68 and name HB2 ))
ASSI { 2427}
(( segid PTB and resid 183 and name HN ))
(( segid PTB and resid 186 and name HN ))
3.600 2.600 1.900 peak 2427 weight 0.10000E+01 volume 0.68414E+00 ppm1 8.324 ppm2 7.691
OR { 2427}
(( segid PTB and resid 183 and name HN ))
(( segid PTB and resid 188 and name HN ))
ASSI { 2433}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 187 and name HA ))
3.600 2.600 1.900 peak 2433 weight 0.10000E+01 volume 0.69342E+00 ppm1 7.701 ppm2 2.672
OR { 2433}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 189 and name HB2 ))
ASSI { 2438}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 192 and name HN ))
3.500 2.500 2.000 peak 2438 weight 0.10000E+01 volume 0.82024E+00 ppm1 7.729 ppm2 8.335
OR { 2438}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 183 and name HN ))
ASSI { 2440}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
3.600 2.600 1.900 peak 2440 weight 0.10000E+01 volume 0.68780E+00 ppm1 7.737 ppm2 1.245
OR { 2440}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 187 and name HG ))
ASSI { 2441}
(( segid PTB and resid 192 and name HN ))
(( segid GPPY and resid 2 and name HE1 )
OR
( segid GPPY and resid 2 and name HE2 ))
3.600 2.600 1.900 peak 2441 weight 0.10000E+01 volume 0.72015E+00 ppm1 8.332 ppm2 6.616
OR { 2441}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 162 and name HE1 )
OR
( segid PTB and resid 162 and name HE2 ))
ASSI { 2445}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 132 and name HA ))
3.500 2.500 2.000 peak 2445 weight 0.10000E+01 volume 0.90000E+00 ppm1 8.381 ppm2 4.459
OR { 2445}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 133 and name HA ))
ASSI { 2448}
(( segid PTB and resid 154 and name HE ))
(( segid PTB and resid 154 and name HA ))
3.800 2.900 1.700 peak 2448 weight 0.10000E+01 volume 0.55323E+00 ppm1 7.217 ppm2 4.117
OR { 2448}
(( segid PTB and resid 114 and name HE ))
(( segid PTB and resid 89 and name HA1 ))
ASSI { 61}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 173 and name HG1 ))
3.100 1.100 1.100 peak 61 weight 0.10000E+01 volume 0.89930E+00 ppm1 8.753 ppm2 2.190
OR { 61}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 173 and name HG2 ))
OR { 61}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 165 and name HD2 ))
ASSI { 115}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 155 and name HA ))
3.100 1.100 1.100 peak 115 weight 0.10000E+01 volume 0.90000E+00 ppm1 9.113 ppm2 4.735
OR { 115}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 158 and name HA ))
ASSI { 124}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.400 0.800 0.800 peak 124 weight 0.10000E+01 volume 0.47772E+01 ppm1 8.421 ppm2 1.752
OR { 124}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 92 and name HB1 ))
ASSI { 131}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.900 1.000 1.000 peak 131 weight 0.10000E+01 volume 0.16345E+01 ppm1 9.823 ppm2 0.634
OR { 131}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
ASSI { 143}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 132 and name HA ))
2.100 0.700 0.700 peak 143 weight 0.10000E+01 volume 0.11309E+02 ppm1 9.122 ppm2 4.476
OR { 143}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 133 and name HA ))
ASSI { 151}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.500 0.900 0.900 peak 151 weight 0.10000E+01 volume 0.33193E+01 ppm1 8.687 ppm2 0.814
OR { 151}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
OR { 151}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
ASSI { 218}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
2.700 0.900 0.900 peak 218 weight 0.10000E+01 volume 0.20535E+01 ppm1 7.544 ppm2 0.570
OR { 218}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
ASSI { 227}
(( segid PTB and resid 208 and name HN ))
(( segid PTB and resid 208 and name HA ))
2.600 0.900 0.900 peak 227 weight 0.10000E+01 volume 0.27023E+01 ppm1 8.231 ppm2 4.330
OR { 227}
(( segid PTB and resid 208 and name HN ))
(( segid PTB and resid 207 and name HA ))
ASSI { 301}
(( segid PTB and resid 65 and name HN ))
(( segid PTB and resid 64 and name HA ))
2.100 0.700 0.700 peak 301 weight 0.10000E+01 volume 0.89786E+01 ppm1 8.127 ppm2 4.463
OR { 301}
(( segid PTB and resid 65 and name HN ))
(( segid PTB and resid 65 and name HA ))
ASSI { 302}
(( segid PTB and resid 65 and name HN ))
(( segid PTB and resid 64 and name HB2 ))
2.800 1.000 1.000 peak 302 weight 0.10000E+01 volume 0.18905E+01 ppm1 8.126 ppm2 3.870
OR { 302}
(( segid PTB and resid 65 and name HN ))
(( segid PTB and resid 64 and name HB1 ))
OR { 302}
(( segid PTB and resid 79 and name HN ))
(( segid PTB and resid 78 and name HB1 ))
ASSI { 312}
(( segid PTB and resid 138 and name HN ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
3.000 1.000 1.000 peak 312 weight 0.10000E+01 volume 0.12238E+01 ppm1 8.453 ppm2 0.843
OR { 312}
(( segid PTB and resid 138 and name HN ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
OR { 312}
(( segid PTB and resid 138 and name HN ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
ASSI { 313}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 81 and name HB1 ))
3.000 1.000 1.000 peak 313 weight 0.10000E+01 volume 0.11993E+01 ppm1 8.327 ppm2 3.044
OR { 313}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 82 and name HB1 ))
ASSI { 355}
(( segid PTB and resid 209 and name HN ))
(( segid PTB and resid 208 and name HA ))
2.500 0.900 0.900 peak 355 weight 0.10000E+01 volume 0.35260E+01 ppm1 8.174 ppm2 4.304
OR { 355}
(( segid PTB and resid 209 and name HN ))
(( segid PTB and resid 209 and name HA ))
OR { 355}
(( segid PTB and resid 207 and name HN ))
(( segid PTB and resid 207 and name HA ))
OR { 355}
(( segid PTB and resid 207 and name HN ))
(( segid PTB and resid 206 and name HA ))
ASSI { 356}
(( segid PTB and resid 209 and name HN ))
(( segid PTB and resid 209 and name HB1 )
OR
( segid PTB and resid 209 and name HB3 )
OR
( segid PTB and resid 209 and name HB2 ))
2.800 1.000 1.000 peak 356 weight 0.10000E+01 volume 0.19984E+01 ppm1 8.167 ppm2 1.423
OR { 356}
(( segid PTB and resid 209 and name HN ))
(( segid PTB and resid 208 and name HB1 )
OR
( segid PTB and resid 208 and name HB3 )
OR
( segid PTB and resid 208 and name HB2 ))
ASSI { 365}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 105 and name HA ))
2.400 0.800 0.800 peak 365 weight 0.10000E+01 volume 0.49893E+01 ppm1 7.620 ppm2 4.036
OR { 365}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 104 and name HA ))
ASSI { 368}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
3.200 1.100 1.100 peak 368 weight 0.10000E+01 volume 0.80860E+00 ppm1 7.617 ppm2 0.808
OR { 368}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
ASSI { 371}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 119 and name HN ))
3.000 1.000 1.000 peak 371 weight 0.10000E+01 volume 0.11762E+01 ppm1 8.563 ppm2 9.108
OR { 371}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 121 and name HN ))
OR { 371}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 133 and name HN ))
ASSI { 378}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 120 and name HG ))
2.800 1.000 1.000 peak 378 weight 0.10000E+01 volume 0.19147E+01 ppm1 8.561 ppm2 0.818
OR { 378}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
OR { 378}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
ASSI { 383}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 191 and name HN ))
2.500 0.900 0.900 peak 383 weight 0.10000E+01 volume 0.34839E+01 ppm1 7.361 ppm2 7.744
OR { 383}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 188 and name HN ))
ASSI { 386}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 189 and name HB2 ))
2.700 0.900 0.900 peak 386 weight 0.10000E+01 volume 0.22541E+01 ppm1 7.362 ppm2 2.671
OR { 386}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 187 and name HA ))
ASSI { 395}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 129 and name HA ))
2.200 0.800 0.800 peak 395 weight 0.10000E+01 volume 0.75050E+01 ppm1 8.871 ppm2 5.325
OR { 395}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 130 and name HA ))
ASSI { 406}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 130 and name HB ))
2.600 0.900 0.900 peak 406 weight 0.10000E+01 volume 0.27727E+01 ppm1 8.872 ppm2 1.700
OR { 406}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 129 and name HB2 ))
ASSI { 416}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 188 and name HN ))
2.500 0.900 0.900 peak 416 weight 0.10000E+01 volume 0.33391E+01 ppm1 6.515 ppm2 7.707
OR { 416}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 186 and name HN ))
ASSI { 443}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 109 and name HA ))
2.700 0.900 0.900 peak 443 weight 0.10000E+01 volume 0.24798E+01 ppm1 8.558 ppm2 3.829
OR { 443}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 106 and name HA ))
ASSI { 447}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
2.900 1.000 1.000 peak 447 weight 0.10000E+01 volume 0.15470E+01 ppm1 8.562 ppm2 0.904
OR { 447}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
ASSI { 450}
(( segid PTB and resid 68 and name HN ))
(( segid PTB and resid 69 and name HN ))
2.900 1.000 1.000 peak 450 weight 0.10000E+01 volume 0.13656E+01 ppm1 8.342 ppm2 8.594
OR { 450}
(( segid PTB and resid 71 and name HN ))
(( segid PTB and resid 69 and name HN ))
ASSI { 451}
(( segid PTB and resid 71 and name HN ))
(( segid PTB and resid 70 and name HN ))
2.600 0.900 0.900 peak 451 weight 0.10000E+01 volume 0.31032E+01 ppm1 8.340 ppm2 7.946
OR { 451}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 126 and name HN ))
ASSI { 475}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 128 and name HA ))
2.200 0.800 0.800 peak 475 weight 0.10000E+01 volume 0.83660E+01 ppm1 8.573 ppm2 5.311
OR { 475}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 129 and name HA ))
ASSI { 478}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
3.100 1.100 1.100 peak 478 weight 0.10000E+01 volume 0.10721E+01 ppm1 8.570 ppm2 0.633
OR { 478}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
ASSI { 481}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 112 and name HA ))
2.200 0.800 0.800 peak 481 weight 0.10000E+01 volume 0.79505E+01 ppm1 8.459 ppm2 4.295
OR { 481}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 113 and name HA ))
ASSI { 501}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 173 and name HN ))
3.000 1.000 1.000 peak 501 weight 0.10000E+01 volume 0.12888E+01 ppm1 9.717 ppm2 9.177
OR { 501}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 163 and name HN ))
ASSI { 510}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 114 and name HA ))
2.200 0.800 0.800 peak 510 weight 0.10000E+01 volume 0.71190E+01 ppm1 7.910 ppm2 4.247
OR { 510}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 113 and name HA ))
ASSI { 514}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 147 and name HA ))
2.700 0.900 0.900 peak 514 weight 0.10000E+01 volume 0.21861E+01 ppm1 7.719 ppm2 4.442
OR { 514}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 146 and name HA ))
ASSI { 518}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 193 and name HA ))
2.600 0.900 0.900 peak 518 weight 0.10000E+01 volume 0.30758E+01 ppm1 7.480 ppm2 3.991
OR { 518}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 193 and name HA ))
ASSI { 519}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 194 and name HA ))
2.600 0.900 0.900 peak 519 weight 0.10000E+01 volume 0.28186E+01 ppm1 7.474 ppm2 3.617
OR { 519}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 195 and name HB2 ))
OR { 519}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 194 and name HA ))
ASSI { 520}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 195 and name HN ))
2.400 0.800 0.800 peak 520 weight 0.10000E+01 volume 0.42863E+01 ppm1 7.471 ppm2 8.239
OR { 520}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 197 and name HN ))
ASSI { 526}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 147 and name HA ))
2.500 0.900 0.900 peak 526 weight 0.10000E+01 volume 0.36733E+01 ppm1 9.559 ppm2 4.429
OR { 526}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 148 and name HA ))
ASSI { 543}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
2.900 1.000 1.000 peak 543 weight 0.10000E+01 volume 0.14868E+01 ppm1 7.727 ppm2 1.373
OR { 543}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
ASSI { 544}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 144 and name HA ))
3.200 1.100 1.100 peak 544 weight 0.10000E+01 volume 0.87280E+00 ppm1 7.720 ppm2 3.947
OR { 544}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 145 and name HA ))
ASSI { 571}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 71 and name HN ))
2.600 0.900 0.900 peak 571 weight 0.10000E+01 volume 0.29814E+01 ppm1 7.966 ppm2 8.376
OR { 571}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 67 and name HN ))
ASSI { 582}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 149 and name HN ))
3.200 1.100 1.100 peak 582 weight 0.10000E+01 volume 0.87340E+00 ppm1 9.144 ppm2 8.101
OR { 582}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 162 and name HN ))
ASSI { 583}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 162 and name HA ))
2.600 0.900 0.900 peak 583 weight 0.10000E+01 volume 0.30513E+01 ppm1 9.133 ppm2 5.480
OR { 583}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 163 and name HA ))
ASSI { 593}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 200 and name HA ))
2.700 0.900 0.900 peak 593 weight 0.10000E+01 volume 0.23560E+01 ppm1 8.268 ppm2 4.086
OR { 593}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 199 and name HA ))
ASSI { 594}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 200 and name HG2 ))
3.000 1.000 1.000 peak 594 weight 0.10000E+01 volume 0.13265E+01 ppm1 8.268 ppm2 2.526
OR { 594}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 200 and name HG1 ))
OR { 594}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 103 and name HG2 ))
ASSI { 636}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 155 and name HB1 ))
2.900 1.000 1.000 peak 636 weight 0.10000E+01 volume 0.14347E+01 ppm1 7.698 ppm2 2.789
OR { 636}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 150 and name HB1 ))
ASSI { 647}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 197 and name HA ))
3.000 1.000 1.000 peak 647 weight 0.10000E+01 volume 0.12157E+01 ppm1 8.279 ppm2 3.621
OR { 647}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 125 and name HA1 ))
OR { 647}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 195 and name HB2 ))
ASSI { 652}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 197 and name HA ))
2.600 0.900 0.900 peak 652 weight 0.10000E+01 volume 0.30544E+01 ppm1 8.227 ppm2 3.622
OR { 652}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 194 and name HA ))
ASSI { 660}
(( segid PTB and resid 205 and name HN ))
(( segid PTB and resid 205 and name HB2 ))
2.700 0.900 0.900 peak 660 weight 0.10000E+01 volume 0.20854E+01 ppm1 8.078 ppm2 1.929
OR { 660}
(( segid PTB and resid 205 and name HN ))
(( segid PTB and resid 204 and name HB2 ))
OR { 660}
(( segid PTB and resid 205 and name HN ))
(( segid PTB and resid 204 and name HB1 ))
OR { 660}
(( segid PTB and resid 205 and name HN ))
(( segid PTB and resid 205 and name HB1 ))
ASSI { 702}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 172 and name HA ))
2.400 0.800 0.800 peak 702 weight 0.10000E+01 volume 0.51089E+01 ppm1 9.171 ppm2 5.267
OR { 702}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 173 and name HA ))
ASSI { 715}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 180 and name HB1 ))
2.900 1.000 1.000 peak 715 weight 0.10000E+01 volume 0.16249E+01 ppm1 8.253 ppm2 2.645
OR { 715}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 72 and name HB2 ))
ASSI { 716}
(( segid PTB and resid 202 and name HN ))
(( segid PTB and resid 202 and name HD2 ))
3.100 1.100 1.100 peak 716 weight 0.10000E+01 volume 0.96310E+00 ppm1 8.019 ppm2 1.686
OR { 716}
(( segid PTB and resid 202 and name HN ))
(( segid PTB and resid 202 and name HD1 ))
OR { 716}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 204 and name HG2 ))
OR { 716}
(( segid PTB and resid 202 and name HN ))
(( segid PTB and resid 199 and name HB2 ))
OR { 716}
(( segid PTB and resid 202 and name HN ))
(( segid PTB and resid 199 and name HB1 ))
ASSI { 718}
(( segid PTB and resid 202 and name HN ))
(( segid PTB and resid 202 and name HA ))
2.700 0.900 0.900 peak 718 weight 0.10000E+01 volume 0.20570E+01 ppm1 8.011 ppm2 4.145
OR { 718}
(( segid PTB and resid 202 and name HN ))
(( segid PTB and resid 201 and name HA ))
ASSI { 724}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 83 and name HA ))
2.200 0.800 0.800 peak 724 weight 0.10000E+01 volume 0.88732E+01 ppm1 9.381 ppm2 5.002
OR { 724}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 84 and name HA ))
ASSI { 729}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 86 and name HN ))
2.900 1.000 1.000 peak 729 weight 0.10000E+01 volume 0.13930E+01 ppm1 8.909 ppm2 9.175
OR { 729}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 177 and name HN ))
ASSI { 732}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 177 and name HB2 ))
2.900 1.000 1.000 peak 732 weight 0.10000E+01 volume 0.15032E+01 ppm1 8.911 ppm2 2.892
OR { 732}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 87 and name HB1 ))
ASSI { 742}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 100 and name HA ))
2.800 1.000 1.000 peak 742 weight 0.10000E+01 volume 0.19116E+01 ppm1 8.457 ppm2 4.163
OR { 742}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 102 and name HA ))
ASSI { 751}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 180 and name HA ))
2.900 1.000 1.000 peak 751 weight 0.10000E+01 volume 0.16123E+01 ppm1 8.229 ppm2 4.209
OR { 751}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 71 and name HA ))
ASSI { 761}
(( segid PTB and resid 202 and name HN ))
(( segid PTB and resid 202 and name HB2 ))
2.500 0.900 0.900 peak 761 weight 0.10000E+01 volume 0.39086E+01 ppm1 8.017 ppm2 2.012
OR { 761}
(( segid PTB and resid 202 and name HN ))
(( segid PTB and resid 202 and name HB1 ))
OR { 761}
(( segid PTB and resid 202 and name HN ))
(( segid PTB and resid 201 and name HB2 ))
OR { 761}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 202 and name HB1 ))
ASSI { 767}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.400 2.400 2.100 peak 767 weight 0.10000E+01 volume 0.43861E+01 ppm1 7.744 ppm2 0.678
OR { 767}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
ASSI { 775}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 204 and name HG2 ))
3.000 1.000 1.000 peak 775 weight 0.10000E+01 volume 0.12033E+01 ppm1 7.924 ppm2 1.703
OR { 775}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 199 and name HB2 ))
OR { 775}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 199 and name HB1 ))
ASSI { 779}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 105 and name HA ))
2.900 1.000 1.000 peak 779 weight 0.10000E+01 volume 0.15966E+01 ppm1 7.440 ppm2 4.035
OR { 779}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 104 and name HA ))
ASSI { 783}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 107 and name HA ))
3.200 1.100 1.100 peak 783 weight 0.10000E+01 volume 0.83360E+00 ppm1 7.427 ppm2 3.842
OR { 783}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 106 and name HA ))
ASSI { 792}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
3.100 1.100 1.100 peak 792 weight 0.10000E+01 volume 0.90430E+00 ppm1 7.448 ppm2 0.930
OR { 792}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
ASSI { 804}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 76 and name HB ))
2.600 0.900 0.900 peak 804 weight 0.10000E+01 volume 0.30117E+01 ppm1 8.078 ppm2 2.099
OR { 804}
(( segid PTB and resid 201 and name HN ))
(( segid PTB and resid 200 and name HB1 ))
ASSI { 805}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
3.200 1.100 1.100 peak 805 weight 0.10000E+01 volume 0.89500E+00 ppm1 8.079 ppm2 0.989
OR { 805}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
ASSI { 812}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
2.600 0.900 0.900 peak 812 weight 0.10000E+01 volume 0.26008E+01 ppm1 7.269 ppm2 0.857
OR { 812}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
ASSI { 816}
(( segid PTB and resid 201 and name HN ))
(( segid PTB and resid 201 and name HB1 ))
2.500 0.900 0.900 peak 816 weight 0.10000E+01 volume 0.36024E+01 ppm1 8.072 ppm2 2.012
OR { 816}
(( segid PTB and resid 201 and name HN ))
(( segid PTB and resid 201 and name HB2 ))
OR { 816}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 201 and name HB2 ))
OR { 816}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 202 and name HB1 ))
ASSI { 821}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 104 and name HA ))
2.700 0.900 0.900 peak 821 weight 0.10000E+01 volume 0.20606E+01 ppm1 7.552 ppm2 4.037
OR { 821}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 105 and name HA ))
ASSI { 826}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 107 and name HG2 ))
3.200 1.100 1.100 peak 826 weight 0.10000E+01 volume 0.87330E+00 ppm1 7.554 ppm2 1.329
OR { 826}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
OR { 826}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 107 and name HG1 ))
ASSI { 836}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 133 and name HA ))
2.900 1.000 1.000 peak 836 weight 0.10000E+01 volume 0.13577E+01 ppm1 8.813 ppm2 4.485
OR { 836}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 132 and name HA ))
ASSI { 839}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 105 and name HN ))
2.500 0.900 0.900 peak 839 weight 0.10000E+01 volume 0.37822E+01 ppm1 8.523 ppm2 7.589
OR { 839}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 107 and name HN ))
ASSI { 846}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 202 and name HA ))
2.800 1.000 1.000 peak 846 weight 0.10000E+01 volume 0.20021E+01 ppm1 8.054 ppm2 4.190
OR { 846}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 203 and name HA ))
ASSI { 848}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 200 and name HN ))
2.900 2.900 1.600 peak 848 weight 0.10000E+01 volume 0.14796E+01 ppm1 8.011 ppm2 8.266
OR { 848}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 199 and name HN ))
ASSI { 851}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 201 and name HB2 ))
2.500 0.900 0.900 peak 851 weight 0.10000E+01 volume 0.38990E+01 ppm1 8.011 ppm2 1.995
OR { 851}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 202 and name HB1 ))
OR { 851}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 202 and name HB2 ))
ASSI { 867}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 181 and name HA ))
2.800 1.000 1.000 peak 867 weight 0.10000E+01 volume 0.17710E+01 ppm1 7.057 ppm2 4.590
OR { 867}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 179 and name HA ))
ASSI { 875}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 99 and name HB1 ))
2.300 0.800 0.800 peak 875 weight 0.10000E+01 volume 0.58422E+01 ppm1 8.842 ppm2 2.081
OR { 875}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 100 and name HB1 ))
ASSI { 881}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 133 and name HB1 ))
2.600 0.900 0.900 peak 881 weight 0.10000E+01 volume 0.29386E+01 ppm1 8.815 ppm2 2.586
OR { 881}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 132 and name HB2 ))
OR { 881}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 133 and name HB2 ))
ASSI { 888}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 109 and name HA ))
2.900 1.000 1.000 peak 888 weight 0.10000E+01 volume 0.13770E+01 ppm1 8.466 ppm2 3.845
OR { 888}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 107 and name HA ))
ASSI { 907}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 176 and name HA2 ))
2.700 0.900 0.900 peak 907 weight 0.10000E+01 volume 0.21121E+01 ppm1 9.159 ppm2 3.154
OR { 907}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 177 and name HB1 ))
ASSI { 921}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 75 and name HN ))
2.500 0.900 0.900 peak 921 weight 0.10000E+01 volume 0.39007E+01 ppm1 7.731 ppm2 7.881
OR { 921}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 73 and name HN ))
ASSI { 924}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 73 and name HB1 ))
2.500 0.900 0.900 peak 924 weight 0.10000E+01 volume 0.35381E+01 ppm1 7.734 ppm2 2.288
OR { 924}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 73 and name HB2 ))
OR { 924}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 74 and name HG1 ))
ASSI { 927}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 172 and name HN ))
3.100 1.100 1.100 peak 927 weight 0.10000E+01 volume 0.10765E+01 ppm1 7.349 ppm2 8.732
OR { 927}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 166 and name HN ))
ASSI { 931}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 171 and name HA ))
2.600 0.900 0.900 peak 931 weight 0.10000E+01 volume 0.30328E+01 ppm1 7.351 ppm2 4.292
OR { 931}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 169 and name HB ))
ASSI { 935}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 171 and name HB1 ))
2.700 0.900 0.900 peak 935 weight 0.10000E+01 volume 0.22610E+01 ppm1 7.353 ppm2 1.641
OR { 935}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 171 and name HB2 ))
OR { 935}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 173 and name HB1 ))
ASSI { 949}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.700 0.900 0.900 peak 949 weight 0.10000E+01 volume 0.23691E+01 ppm1 7.186 ppm2 0.821
OR { 949}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
OR { 949}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
ASSI { 982}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
3.200 1.100 1.100 peak 982 weight 0.10000E+01 volume 0.83230E+00 ppm1 8.081 ppm2 1.299
OR { 982}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 136 and name HG1 ))
ASSI { 994}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 145 and name HA ))
2.600 0.900 0.900 peak 994 weight 0.10000E+01 volume 0.29925E+01 ppm1 8.594 ppm2 3.951
OR { 994}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 144 and name HA ))
ASSI { 1019}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 83 and name HA ))
2.900 1.000 1.000 peak 1019 weight 0.10000E+01 volume 0.14933E+01 ppm1 8.569 ppm2 4.991
OR { 1019}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 122 and name HA ))
ASSI { 1025}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 196 and name HN ))
2.600 0.900 0.900 peak 1025 weight 0.10000E+01 volume 0.29941E+01 ppm1 8.253 ppm2 7.521
OR { 1025}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 194 and name HN ))
ASSI { 1028}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 194 and name HA ))
2.700 0.900 0.900 peak 1028 weight 0.10000E+01 volume 0.23993E+01 ppm1 8.249 ppm2 3.619
OR { 1028}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 195 and name HB2 ))
ASSI { 1033}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 107 and name HA ))
3.200 1.100 1.100 peak 1033 weight 0.10000E+01 volume 0.85860E+00 ppm1 7.520 ppm2 3.832
OR { 1033}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 109 and name HA ))
ASSI { 1050}
(( segid PTB and resid 94 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
3.200 1.100 1.100 peak 1050 weight 0.10000E+01 volume 0.88630E+00 ppm1 8.710 ppm2 0.808
OR { 1050}
(( segid PTB and resid 94 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1059}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 188 and name HN ))
2.900 1.000 1.000 peak 1059 weight 0.10000E+01 volume 0.16032E+01 ppm1 8.069 ppm2 7.730
OR { 1059}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 186 and name HN ))
ASSI { 1062}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 188 and name HB2 ))
2.700 0.900 0.900 peak 1062 weight 0.10000E+01 volume 0.20615E+01 ppm1 8.068 ppm2 4.047
OR { 1062}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 189 and name HA ))
OR { 1062}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 188 and name HB1 ))
ASSI { 1081}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 110 and name HN ))
2.900 1.000 1.000 peak 1081 weight 0.10000E+01 volume 0.14957E+01 ppm1 7.316 ppm2 8.460
OR { 1081}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 113 and name HN ))
ASSI { 1085}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 112 and name HA ))
2.400 0.800 0.800 peak 1085 weight 0.10000E+01 volume 0.44852E+01 ppm1 7.314 ppm2 4.318
OR { 1085}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 111 and name HA ))
ASSI { 1094}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 125 and name HA2 ))
2.900 1.000 1.000 peak 1094 weight 0.10000E+01 volume 0.14186E+01 ppm1 7.921 ppm2 3.996
OR { 1094}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 124 and name HB1 ))
OR { 1094}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 127 and name HA1 ))
ASSI { 1109}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 97 and name HB2 ))
2.600 0.900 0.900 peak 1109 weight 0.10000E+01 volume 0.25384E+01 ppm1 6.833 ppm2 1.451
OR { 1109}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 96 and name HB2 ))
ASSI { 1146}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 145 and name HA ))
2.900 1.000 1.000 peak 1146 weight 0.10000E+01 volume 0.13410E+01 ppm1 6.640 ppm2 3.951
OR { 1146}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 144 and name HA ))
ASSI { 1173}
(( segid PTB and resid 114 and name HE ))
(( segid PTB and resid 114 and name HA ))
3.000 1.000 1.000 peak 1173 weight 0.10000E+01 volume 0.11970E+01 ppm1 7.187 ppm2 4.266
OR { 1173}
(( segid PTB and resid 113 and name HE ))
(( segid PTB and resid 114 and name HA ))
OR { 1173}
(( segid PTB and resid 113 and name HE ))
(( segid PTB and resid 113 and name HA ))
OR { 1173}
(( segid PTB and resid 207 and name HE ))
(( segid PTB and resid 206 and name HA ))
ASSI { 1174}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 171 and name HD2 ))
2.900 1.000 1.000 peak 1174 weight 0.10000E+01 volume 0.15527E+01 ppm1 7.183 ppm2 3.126
OR { 1174}
(( segid PTB and resid 154 and name HE ))
(( segid PTB and resid 154 and name HD1 ))
OR { 1174}
(( segid PTB and resid 114 and name HE ))
(( segid PTB and resid 114 and name HD1 ))
OR { 1174}
(( segid PTB and resid 114 and name HE ))
(( segid PTB and resid 114 and name HD2 ))
OR { 1174}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 171 and name HD1 ))
ASSI { 1176}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 171 and name HB1 ))
2.800 1.000 1.000 peak 1176 weight 0.10000E+01 volume 0.20029E+01 ppm1 7.178 ppm2 1.641
OR { 1176}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 171 and name HB2 ))
OR { 1176}
(( segid PTB and resid 114 and name HE ))
(( segid PTB and resid 114 and name HB1 ))
ASSI { 1207}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 171 and name HN ))
3.000 3.000 1.500 peak 1207 weight 0.10000E+01 volume 0.11031E+01 ppm1 7.175 ppm2 7.309
OR { 1207}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 94 and name HE1 )
OR
( segid PTB and resid 94 and name HE2 ))
OR { 1207}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 94 and name HD1 )
OR
( segid PTB and resid 94 and name HD2 ))
OR { 1207}
(( segid PTB and resid 114 and name HE ))
(( segid PTB and resid 112 and name HN ))
ASSI { 1328}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 90 and name HB2 ))
3.100 1.100 1.100 peak 1328 weight 0.10000E+01 volume 0.10880E+01 ppm1 7.908 ppm2 1.604
OR { 1328}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 90 and name HB1 ))
OR { 1328}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 114 and name HG2 ))
ASSI { 1338}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 183 and name HB1 ))
3.100 1.100 1.100 peak 1338 weight 0.10000E+01 volume 0.91540E+00 ppm1 9.414 ppm2 4.430
OR { 1338}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 157 and name HA ))
ASSI { 1345}
(( segid PTB and resid 169 and name HN ))
(( segid PTB and resid 168 and name HB ))
2.100 0.700 0.700 peak 1345 weight 0.10000E+01 volume 0.10263E+02 ppm1 7.581 ppm2 4.293
OR { 1345}
(( segid PTB and resid 169 and name HN ))
(( segid PTB and resid 169 and name HB ))
OR { 1345}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 95 and name HA ))
ASSI { 1398}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 137 and name HA1 ))
2.400 0.800 0.800 peak 1398 weight 0.10000E+01 volume 0.44854E+01 ppm1 8.384 ppm2 4.137
OR { 1398}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 136 and name HA ))
ASSI { 1476}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 162 and name HA ))
2.800 1.000 1.000 peak 1476 weight 0.10000E+01 volume 0.17944E+01 ppm1 9.178 ppm2 5.464
OR { 1476}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 163 and name HA ))
OR { 1476}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 85 and name HA ))
ASSI { 1488}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
3.400 1.200 1.200 peak 1488 weight 0.10000E+01 volume 0.60950E+00 ppm1 9.179 ppm2 1.588
OR { 1488}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 86 and name HD2 ))
OR { 1488}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 86 and name HD1 ))
OR { 1488}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 178 and name HB2 ))
OR { 1488}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 178 and name HG ))
ASSI { 1493}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 177 and name HB2 ))
3.300 1.200 1.200 peak 1493 weight 0.10000E+01 volume 0.74360E+00 ppm1 8.357 ppm2 2.849
OR { 1493}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 87 and name HB1 ))
ASSI { 1499}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
3.200 1.100 1.100 peak 1499 weight 0.10000E+01 volume 0.74650E+00 ppm1 6.836 ppm2 0.636
OR { 1499}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
ASSI { 1508}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
3.200 1.100 1.100 peak 1508 weight 0.10000E+01 volume 0.75190E+00 ppm1 9.151 ppm2 0.568
OR { 1508}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
OR { 1508}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
ASSI { 1514}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 136 and name HB2 ))
3.300 1.200 1.200 peak 1514 weight 0.10000E+01 volume 0.68982E+00 ppm1 8.079 ppm2 2.235
OR { 1514}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 134 and name HB2 ))
ASSI { 1526}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 189 and name HA ))
3.300 1.200 1.200 peak 1526 weight 0.10000E+01 volume 0.67431E+00 ppm1 8.339 ppm2 4.046
OR { 1526}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 188 and name HB2 ))
ASSI { 1529}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
3.300 1.200 1.200 peak 1529 weight 0.10000E+01 volume 0.72381E+00 ppm1 7.467 ppm2 0.990
OR { 1529}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
OR { 1529}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
ASSI { 1535}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 91 and name HN ))
3.300 1.200 1.200 peak 1535 weight 0.10000E+01 volume 0.67836E+00 ppm1 7.993 ppm2 8.350
OR { 1535}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 88 and name HN ))
ASSI { 1554}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 114 and name HD2 ))
3.300 1.200 1.200 peak 1554 weight 0.10000E+01 volume 0.63687E+00 ppm1 8.666 ppm2 3.180
OR { 1554}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 114 and name HD1 ))
OR { 1554}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 113 and name HD2 ))
ASSI { 1555}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 114 and name HG2 ))
3.300 1.200 1.200 peak 1555 weight 0.10000E+01 volume 0.66613E+00 ppm1 8.654 ppm2 1.580
OR { 1555}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 140 and name HB ))
OR { 1555}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 114 and name HG1 ))
ASSI { 1561}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 186 and name HA ))
3.500 1.200 1.200 peak 1561 weight 0.10000E+01 volume 0.47961E+00 ppm1 7.367 ppm2 2.972
OR { 1561}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 191 and name HA ))
ASSI { 1562}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 129 and name HA ))
3.400 1.200 1.200 peak 1562 weight 0.10000E+01 volume 0.53766E+00 ppm1 7.272 ppm2 5.331
OR { 1562}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 130 and name HA ))
ASSI { 1572}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 165 and name HG2 ))
2.600 0.900 0.900 peak 1572 weight 0.10000E+01 volume 0.29304E+01 ppm1 8.259 ppm2 0.962
OR { 1572}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 165 and name HG1 ))
OR { 1572}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
ASSI { 1581}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 95 and name HN ))
3.400 1.200 1.200 peak 1581 weight 0.10000E+01 volume 0.58287E+00 ppm1 6.846 ppm2 7.188
OR { 1581}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 97 and name HE ))
ASSI { 1582}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 95 and name HA ))
3.300 1.200 1.200 peak 1582 weight 0.10000E+01 volume 0.69466E+00 ppm1 6.835 ppm2 4.300
OR { 1582}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 98 and name HA2 ))
ASSI { 1586}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 144 and name HG12))
3.400 1.200 1.200 peak 1586 weight 0.10000E+01 volume 0.56826E+00 ppm1 7.553 ppm2 1.371
OR { 1586}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
ASSI { 1593}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
3.300 1.200 1.200 peak 1593 weight 0.10000E+01 volume 0.67207E+00 ppm1 8.854 ppm2 0.625
OR { 1593}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
OR { 1593}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 1608}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 158 and name HB1 ))
3.400 1.200 1.200 peak 1608 weight 0.10000E+01 volume 0.58958E+00 ppm1 9.701 ppm2 1.850
OR { 1608}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 158 and name HB2 ))
OR { 1608}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 86 and name HB2 ))
OR { 1608}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 158 and name HG2 ))
ASSI { 1611}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 86 and name HN ))
3.300 1.200 1.200 peak 1611 weight 0.10000E+01 volume 0.67473E+00 ppm1 8.259 ppm2 9.173
OR { 1611}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 85 and name HN ))
ASSI { 1615}
(( segid PTB and resid 201 and name HN ))
(( segid PTB and resid 200 and name HB2 ))
3.300 1.200 1.200 peak 1615 weight 0.10000E+01 volume 0.68426E+00 ppm1 8.082 ppm2 2.341
OR { 1615}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 74 and name HG1 ))
ASSI { 88}
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
(( segid PTB and resid 108 and name HB ))
2.500 0.900 0.900 peak 88 weight 0.10000E+01 volume 0.23837E+01 ppm1 0.936 ppm2 2.280
OR { 88}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 108 and name HB ))
ASSI { 167}
(( segid PTB and resid 205 and name HD1 ))
(( segid PTB and resid 205 and name HB2 ))
2.400 0.800 0.800 peak 167 weight 0.10000E+01 volume 0.30809E+01 ppm1 3.248 ppm2 1.935
OR { 167}
(( segid PTB and resid 205 and name HD2 ))
(( segid PTB and resid 205 and name HB2 ))
OR { 167}
(( segid PTB and resid 205 and name HD1 ))
(( segid PTB and resid 205 and name HB1 ))
OR { 167}
(( segid PTB and resid 204 and name HD2 ))
(( segid PTB and resid 204 and name HB2 ))
OR { 167}
(( segid PTB and resid 204 and name HD2 ))
(( segid PTB and resid 204 and name HB1 ))
OR { 167}
(( segid PTB and resid 204 and name HD1 ))
(( segid PTB and resid 204 and name HB1 ))
ASSI { 171}
(( segid PTB and resid 205 and name HG2 ))
(( segid PTB and resid 205 and name HB1 ))
1.800 0.600 0.600 peak 171 weight 0.10000E+01 volume 0.18926E+02 ppm1 1.713 ppm2 1.870
OR { 171}
(( segid PTB and resid 207 and name HG1 ))
(( segid PTB and resid 207 and name HB2 ))
OR { 171}
(( segid PTB and resid 207 and name HG2 ))
(( segid PTB and resid 207 and name HB1 ))
OR { 171}
(( segid PTB and resid 205 and name HG1 ))
(( segid PTB and resid 205 and name HB1 ))
OR { 171}
(( segid PTB and resid 205 and name HG2 ))
(( segid PTB and resid 205 and name HB2 ))
OR { 171}
(( segid PTB and resid 207 and name HG2 ))
(( segid PTB and resid 207 and name HB2 ))
OR { 171}
(( segid PTB and resid 205 and name HG1 ))
(( segid PTB and resid 205 and name HB2 ))
ASSI { 260}
(( segid GPPY and resid 7 and name HA ))
(( segid PTB and resid 204 and name HB1 ))
2.700 2.700 1.800 peak 260 weight 0.10000E+01 volume 0.13737E+01 ppm1 4.116 ppm2 1.935
OR { 260}
(( segid GPPY and resid 7 and name HA ))
(( segid PTB and resid 204 and name HB2 ))
OR { 260}
(( segid GPPY and resid 7 and name HA ))
(( segid PTB and resid 205 and name HB1 ))
OR { 260}
(( segid GPPY and resid 7 and name HA ))
(( segid PTB and resid 205 and name HB2 ))
ASSI { 348}
(( segid PTB and resid 76 and name HB ))
(( segid PTB and resid 77 and name HB1 ))
2.600 2.600 1.900 peak 348 weight 0.10000E+01 volume 0.15852E+01 ppm1 2.073 ppm2 1.714
OR { 348}
(( segid PTB and resid 74 and name HB1 ))
(( segid PTB and resid 77 and name HB1 ))
OR { 348}
(( segid PTB and resid 74 and name HB2 ))
(( segid PTB and resid 77 and name HB1 ))
ASSI { 482}
(( segid PTB and resid 181 and name HE2 ))
(( segid PTB and resid 181 and name HD2 ))
2.100 0.700 0.700 peak 482 weight 0.10000E+01 volume 0.67117E+01 ppm1 3.036 ppm2 1.747
OR { 482}
(( segid PTB and resid 202 and name HE1 ))
(( segid PTB and resid 202 and name HD1 ))
OR { 482}
(( segid PTB and resid 202 and name HE2 ))
(( segid PTB and resid 202 and name HD1 ))
OR { 482}
(( segid PTB and resid 181 and name HE1 ))
(( segid PTB and resid 181 and name HD1 ))
OR { 482}
(( segid PTB and resid 181 and name HE2 ))
(( segid PTB and resid 181 and name HD1 ))
OR { 482}
(( segid PTB and resid 202 and name HE2 ))
(( segid PTB and resid 202 and name HD2 ))
OR { 482}
(( segid PTB and resid 202 and name HE1 ))
(( segid PTB and resid 202 and name HD2 ))
ASSI { 484}
(( segid PTB and resid 173 and name HG2 ))
(( segid PTB and resid 92 and name HB2 ))
2.500 2.500 2.000 peak 484 weight 0.10000E+01 volume 0.20188E+01 ppm1 2.189 ppm2 1.747
OR { 484}
(( segid PTB and resid 173 and name HG2 ))
(( segid PTB and resid 92 and name HB1 ))
OR { 484}
(( segid PTB and resid 173 and name HG1 ))
(( segid PTB and resid 92 and name HB2 ))
OR { 484}
(( segid PTB and resid 173 and name HG1 ))
(( segid PTB and resid 92 and name HB1 ))
OR { 484}
(( segid PTB and resid 93 and name HB ))
(( segid PTB and resid 92 and name HB2 ))
OR { 484}
(( segid PTB and resid 203 and name HB1 ))
(( segid PTB and resid 202 and name HD1 ))
OR { 484}
(( segid PTB and resid 93 and name HB ))
(( segid PTB and resid 92 and name HB1 ))
OR { 484}
(( segid PTB and resid 203 and name HB1 ))
(( segid PTB and resid 202 and name HD2 ))
ASSI { 524}
(( segid PTB and resid 201 and name HA ))
(( segid PTB and resid 200 and name HB1 ))
2.700 2.700 1.800 peak 524 weight 0.10000E+01 volume 0.13637E+01 ppm1 4.152 ppm2 2.131
OR { 524}
(( segid PTB and resid 199 and name HA ))
(( segid PTB and resid 200 and name HB1 ))
OR { 524}
(( segid PTB and resid 198 and name HA ))
(( segid PTB and resid 145 and name HB1 ))
OR { 524}
(( segid PTB and resid 70 and name HA ))
(( segid PTB and resid 74 and name HB2 ))
OR { 524}
(( segid PTB and resid 70 and name HA ))
(( segid PTB and resid 74 and name HB1 ))
ASSI { 552}
(( segid PTB and resid 104 and name HA ))
(( segid PTB and resid 104 and name HB2 ))
2.300 0.800 0.800 peak 552 weight 0.10000E+01 volume 0.35044E+01 ppm1 4.038 ppm2 2.112
OR { 552}
(( segid PTB and resid 104 and name HA ))
(( segid PTB and resid 104 and name HB1 ))
OR { 552}
(( segid PTB and resid 74 and name HA ))
(( segid PTB and resid 74 and name HB1 ))
OR { 552}
(( segid PTB and resid 74 and name HA ))
(( segid PTB and resid 74 and name HB2 ))
ASSI { 557}
(( segid PTB and resid 104 and name HG2 ))
(( segid PTB and resid 104 and name HB1 ))
1.900 0.700 0.700 peak 557 weight 0.10000E+01 volume 0.13581E+02 ppm1 2.432 ppm2 2.134
OR { 557}
(( segid PTB and resid 111 and name HG2 ))
(( segid PTB and resid 111 and name HB2 ))
OR { 557}
(( segid PTB and resid 104 and name HG2 ))
(( segid PTB and resid 104 and name HB2 ))
ASSI { 560}
(( segid PTB and resid 113 and name HB2 ))
(( segid PTB and resid 113 and name HB1 ))
2.000 0.700 0.700 peak 560 weight 0.10000E+01 volume 0.87992E+01 ppm1 2.031 ppm2 1.835
OR { 560}
(( segid PTB and resid 68 and name HG2 ))
(( segid PTB and resid 68 and name HB1 ))
ASSI { 565}
(( segid PTB and resid 65 and name HG1 ))
(( segid PTB and resid 65 and name HD2 ))
2.600 0.900 0.900 peak 565 weight 0.10000E+01 volume 0.16491E+01 ppm1 1.187 ppm2 1.642
OR { 565}
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
(( segid PTB and resid 144 and name HG11))
OR { 565}
(( segid PTB and resid 65 and name HG1 ))
(( segid PTB and resid 65 and name HD1 ))
ASSI { 732}
(( segid PTB and resid 204 and name HA ))
(( segid PTB and resid 204 and name HG2 ))
2.300 0.800 0.800 peak 732 weight 0.10000E+01 volume 0.36285E+01 ppm1 4.274 ppm2 1.702
OR { 732}
(( segid PTB and resid 113 and name HA ))
(( segid PTB and resid 113 and name HG1 ))
OR { 732}
(( segid PTB and resid 113 and name HA ))
(( segid PTB and resid 113 and name HG2 ))
OR { 732}
(( segid PTB and resid 114 and name HA ))
(( segid PTB and resid 113 and name HG1 ))
OR { 732}
(( segid GPPY and resid 3 and name HA ))
(( segid PTB and resid 204 and name HG2 ))
ASSI { 782}
(( segid PTB and resid 205 and name HA ))
(( segid PTB and resid 205 and name HG1 ))
2.400 0.800 0.800 peak 782 weight 0.10000E+01 volume 0.25363E+01 ppm1 4.331 ppm2 1.696
OR { 782}
(( segid PTB and resid 205 and name HA ))
(( segid PTB and resid 205 and name HG2 ))
OR { 782}
(( segid GPPY and resid 3 and name HA ))
(( segid PTB and resid 204 and name HG2 ))
ASSI { 795}
(( segid PTB and resid 204 and name HB1 ))
(( segid PTB and resid 204 and name HG1 ))
1.700 0.600 0.600 peak 795 weight 0.10000E+01 volume 0.21574E+02 ppm1 1.951 ppm2 1.741
OR { 795}
(( segid PTB and resid 205 and name HB1 ))
(( segid PTB and resid 205 and name HG2 ))
OR { 795}
(( segid PTB and resid 204 and name HB2 ))
(( segid PTB and resid 204 and name HG2 ))
OR { 795}
(( segid PTB and resid 204 and name HB2 ))
(( segid PTB and resid 204 and name HG1 ))
OR { 795}
(( segid PTB and resid 205 and name HB1 ))
(( segid PTB and resid 205 and name HG1 ))
OR { 795}
(( segid PTB and resid 205 and name HB2 ))
(( segid PTB and resid 205 and name HG2 ))
OR { 795}
(( segid PTB and resid 205 and name HB2 ))
(( segid PTB and resid 205 and name HG1 ))
ASSI { 833}
(( segid PTB and resid 116 and name HA ))
(( segid PTB and resid 116 and name HG2 ))
2.500 0.900 0.900 peak 833 weight 0.10000E+01 volume 0.21837E+01 ppm1 4.516 ppm2 1.973
OR { 833}
(( segid PTB and resid 116 and name HA ))
(( segid PTB and resid 116 and name HG1 ))
OR { 833}
(( segid PTB and resid 115 and name HA ))
(( segid PTB and resid 116 and name HG2 ))
ASSI { 970}
(( segid PTB and resid 115 and name HB1 ))
(( segid PTB and resid 116 and name HG1 ))
2.400 2.400 2.100 peak 970 weight 0.10000E+01 volume 0.27842E+01 ppm1 1.853 ppm2 1.980
OR { 970}
(( segid PTB and resid 115 and name HB1 ))
(( segid PTB and resid 116 and name HG2 ))
OR { 970}
(( segid PTB and resid 115 and name HB2 ))
(( segid PTB and resid 116 and name HG1 ))
OR { 970}
(( segid PTB and resid 115 and name HB2 ))
(( segid PTB and resid 116 and name HG2 ))
OR { 970}
(( segid PTB and resid 86 and name HB2 ))
(( segid PTB and resid 116 and name HG2 ))
OR { 970}
(( segid PTB and resid 86 and name HB2 ))
(( segid PTB and resid 116 and name HG1 ))
ASSI { 1072}
(( segid PTB and resid 110 and name HA ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
2.600 0.900 0.900 peak 1072 weight 0.10000E+01 volume 0.18519E+01 ppm1 4.019 ppm2 0.591
OR { 1072}
(( segid PTB and resid 88 and name HA ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
ASSI { 1073}
(( segid PTB and resid 106 and name HA ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
2.600 0.900 0.900 peak 1073 weight 0.10000E+01 volume 0.16916E+01 ppm1 3.824 ppm2 0.484
OR { 1073}
(( segid PTB and resid 109 and name HA ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
ASSI { 1081}
(( segid PTB and resid 138 and name HB2 ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
2.100 0.700 0.700 peak 1081 weight 0.10000E+01 volume 0.61909E+01 ppm1 1.691 ppm2 0.855
OR { 1081}
(( segid PTB and resid 129 and name HB2 ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
ASSI { 1083}
(( segid PTB and resid 106 and name HG ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
2.500 0.900 0.900 peak 1083 weight 0.10000E+01 volume 0.23487E+01 ppm1 1.573 ppm2 0.585
OR { 1083}
(( segid PTB and resid 178 and name HB2 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
OR { 1083}
(( segid PTB and resid 178 and name HG ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
ASSI { 1084}
(( segid PTB and resid 106 and name HG ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
2.400 0.800 0.800 peak 1084 weight 0.10000E+01 volume 0.26465E+01 ppm1 1.522 ppm2 0.588
OR { 1084}
(( segid PTB and resid 178 and name HB2 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
OR { 1084}
(( segid PTB and resid 178 and name HG ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
OR { 1084}
(( segid PTB and resid 106 and name HB2 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
ASSI { 1115}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
2.600 0.900 0.900 peak 1115 weight 0.10000E+01 volume 0.18587E+01 ppm1 1.333 ppm2 0.494
OR { 1115}
(( segid PTB and resid 88 and name HB1 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
ASSI { 1129}
(( segid PTB and resid 178 and name HA ))
(( segid PTB and resid 178 and name HD11)
OR
( segid PTB and resid 178 and name HD13)
OR
( segid PTB and resid 178 and name HD12))
2.600 0.900 0.900 peak 1129 weight 0.10000E+01 volume 0.17378E+01 ppm1 4.980 ppm2 0.827
OR { 1129}
(( segid PTB and resid 84 and name HA ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
OR { 1129}
(( segid PTB and resid 83 and name HA ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
OR { 1129}
(( segid PTB and resid 122 and name HA ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
ASSI { 1135}
(( segid PTB and resid 106 and name HG ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
1.800 0.600 0.600 peak 1135 weight 0.10000E+01 volume 0.14139E+02 ppm1 1.574 ppm2 0.857
OR { 1135}
(( segid PTB and resid 120 and name HB2 ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
OR { 1135}
(( segid PTB and resid 120 and name HB1 ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
ASSI { 1143}
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.300 0.800 0.800 peak 1143 weight 0.10000E+01 volume 0.33096E+01 ppm1 0.896 ppm2 0.293
OR { 1143}
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
ASSI { 1146}
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
2.000 0.700 0.700 peak 1146 weight 0.10000E+01 volume 0.77844E+01 ppm1 0.656 ppm2 0.140
OR { 1146}
(( segid PTB and resid 187 and name HB1 ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
OR { 1146}
(( segid PTB and resid 187 and name HB2 ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
OR { 1146}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
ASSI { 1162}
(( segid PTB and resid 82 and name HB1 ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
2.600 0.900 0.900 peak 1162 weight 0.10000E+01 volume 0.16993E+01 ppm1 3.036 ppm2 0.862
OR { 1162}
(( segid PTB and resid 122 and name HB2 ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
OR { 1162}
(( segid PTB and resid 122 and name HB1 ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
OR { 1162}
(( segid PTB and resid 102 and name HB2 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 1176}
(( segid PTB and resid 128 and name HD21)
OR
( segid PTB and resid 128 and name HD23)
OR
( segid PTB and resid 128 and name HD22))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
2.700 0.900 0.900 peak 1176 weight 0.10000E+01 volume 0.15094E+01 ppm1 0.791 ppm2 0.147
OR { 1176}
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
OR { 1176}
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
OR { 1176}
(( segid PTB and resid 178 and name HD11)
OR
( segid PTB and resid 178 and name HD13)
OR
( segid PTB and resid 178 and name HD12))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
OR { 1176}
(( segid PTB and resid 128 and name HD21)
OR
( segid PTB and resid 128 and name HD23)
OR
( segid PTB and resid 128 and name HD22))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
OR { 1176}
(( segid PTB and resid 120 and name HG ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
OR { 1176}
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
ASSI { 1212}
(( segid PTB and resid 196 and name HA ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
2.700 0.900 0.900 peak 1212 weight 0.10000E+01 volume 0.13420E+01 ppm1 4.187 ppm2 0.948
OR { 1212}
(( segid PTB and resid 202 and name HA ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
ASSI { 1213}
(( segid PTB and resid 199 and name HA ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
2.600 0.900 0.900 peak 1213 weight 0.10000E+01 volume 0.15994E+01 ppm1 4.119 ppm2 0.948
OR { 1213}
(( segid PTB and resid 202 and name HA ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
OR { 1213}
(( segid PTB and resid 198 and name HA ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
ASSI { 1249}
(( segid PTB and resid 136 and name HD1 ))
(( segid PTB and resid 136 and name HG1 ))
1.800 0.600 0.600 peak 1249 weight 0.10000E+01 volume 0.15952E+02 ppm1 1.599 ppm2 1.330
OR { 1249}
(( segid PTB and resid 65 and name HB2 ))
(( segid PTB and resid 65 and name HG2 ))
OR { 1249}
(( segid PTB and resid 65 and name HD1 ))
(( segid PTB and resid 65 and name HG2 ))
OR { 1249}
(( segid PTB and resid 65 and name HB1 ))
(( segid PTB and resid 65 and name HG2 ))
OR { 1249}
(( segid PTB and resid 65 and name HD2 ))
(( segid PTB and resid 65 and name HG2 ))
ASSI { 1266}
(( segid PTB and resid 181 and name HE1 ))
(( segid PTB and resid 181 and name HG2 ))
2.500 0.900 0.900 peak 1266 weight 0.10000E+01 volume 0.24196E+01 ppm1 3.053 ppm2 1.393
OR { 1266}
(( segid PTB and resid 136 and name HE2 ))
(( segid PTB and resid 136 and name HG2 ))
OR { 1266}
(( segid PTB and resid 181 and name HE1 ))
(( segid PTB and resid 181 and name HG1 ))
OR { 1266}
(( segid PTB and resid 181 and name HE2 ))
(( segid PTB and resid 181 and name HG2 ))
ASSI { 1270}
(( segid PTB and resid 136 and name HD2 ))
(( segid PTB and resid 136 and name HG2 ))
1.900 0.700 0.700 peak 1270 weight 0.10000E+01 volume 0.11059E+02 ppm1 1.747 ppm2 1.423
OR { 1270}
(( segid PTB and resid 181 and name HD1 ))
(( segid PTB and resid 181 and name HG1 ))
OR { 1270}
(( segid PTB and resid 181 and name HD2 ))
(( segid PTB and resid 181 and name HG1 ))
OR { 1270}
(( segid PTB and resid 181 and name HD2 ))
(( segid PTB and resid 181 and name HG2 ))
ASSI { 1271}
(( segid PTB and resid 129 and name HB2 ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.100 0.700 0.700 peak 1271 weight 0.10000E+01 volume 0.55775E+01 ppm1 1.696 ppm2 0.866
OR { 1271}
(( segid PTB and resid 138 and name HB2 ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
ASSI { 1308}
(( segid PTB and resid 187 and name HG ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
2.700 0.900 0.900 peak 1308 weight 0.10000E+01 volume 0.15051E+01 ppm1 1.266 ppm2 0.299
OR { 1308}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
ASSI { 1312}
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
2.200 0.800 0.800 peak 1312 weight 0.10000E+01 volume 0.49498E+01 ppm1 0.700 ppm2 0.310
OR { 1312}
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
ASSI { 1313}
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
2.600 0.900 0.900 peak 1313 weight 0.10000E+01 volume 0.15868E+01 ppm1 0.598 ppm2 0.304
OR { 1313}
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
OR { 1313}
(( segid PTB and resid 187 and name HB1 ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
OR { 1313}
(( segid PTB and resid 187 and name HB2 ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
ASSI { 1325}
(( segid PTB and resid 162 and name HD1 )
OR
( segid PTB and resid 162 and name HD2 ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
2.400 2.400 2.100 peak 1325 weight 0.10000E+01 volume 0.28307E+01 ppm1 6.935 ppm2 0.693
OR { 1325}
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
OR { 1325}
(( segid PTB and resid 177 and name HE1 )
OR
( segid PTB and resid 177 and name HE2 ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
OR { 1325}
(( segid PTB and resid 83 and name HE1 )
OR
( segid PTB and resid 83 and name HE2 ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
ASSI { 1327}
(( segid PTB and resid 84 and name HA ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
2.200 0.800 0.800 peak 1327 weight 0.10000E+01 volume 0.54455E+01 ppm1 4.974 ppm2 0.762
OR { 1327}
(( segid PTB and resid 83 and name HA ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
ASSI { 1375}
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
2.100 0.700 0.700 peak 1375 weight 0.10000E+01 volume 0.64280E+01 ppm1 0.309 ppm2 0.703
OR { 1375}
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
ASSI { 1391}
(( segid PTB and resid 81 and name HB1 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.400 0.800 0.800 peak 1391 weight 0.10000E+01 volume 0.29524E+01 ppm1 3.083 ppm2 0.994
OR { 1391}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
ASSI { 1396}
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
1.900 0.700 0.700 peak 1396 weight 0.10000E+01 volume 0.12989E+02 ppm1 0.591 ppm2 1.011
OR { 1396}
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
ASSI { 1412}
(( segid PTB and resid 73 and name HA ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.400 2.400 2.100 peak 1412 weight 0.10000E+01 volume 0.28829E+01 ppm1 3.891 ppm2 1.026
OR { 1412}
(( segid PTB and resid 77 and name HA ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
ASSI { 1416}
(( segid PTB and resid 202 and name HB1 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
2.400 2.400 2.100 peak 1416 weight 0.10000E+01 volume 0.32014E+01 ppm1 2.003 ppm2 0.953
OR { 1416}
(( segid PTB and resid 202 and name HB2 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
OR { 1416}
(( segid PTB and resid 201 and name HB2 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
ASSI { 1418}
(( segid PTB and resid 204 and name HG2 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
2.300 0.800 0.800 peak 1418 weight 0.10000E+01 volume 0.36879E+01 ppm1 1.740 ppm2 0.956
OR { 1418}
(( segid PTB and resid 202 and name HD1 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
OR { 1418}
(( segid PTB and resid 204 and name HG1 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
ASSI { 1450}
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
2.100 0.700 0.700 peak 1450 weight 0.10000E+01 volume 0.57295E+01 ppm1 1.393 ppm2 0.940
OR { 1450}
(( segid GPPY and resid 3 and name HG11))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
ASSI { 1477}
(( segid PTB and resid 114 and name HD1 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.700 0.900 0.900 peak 1477 weight 0.10000E+01 volume 0.13517E+01 ppm1 3.151 ppm2 0.428
OR { 1477}
(( segid PTB and resid 114 and name HD2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
OR { 1477}
(( segid PTB and resid 176 and name HA2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
ASSI { 1484}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.300 0.800 0.800 peak 1484 weight 0.10000E+01 volume 0.32711E+01 ppm1 0.940 ppm2 0.423
OR { 1484}
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
ASSI { 1489}
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.500 0.900 0.900 peak 1489 weight 0.10000E+01 volume 0.20937E+01 ppm1 0.302 ppm2 0.631
OR { 1489}
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 1504}
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.500 2.500 2.000 peak 1504 weight 0.10000E+01 volume 0.20579E+01 ppm1 1.783 ppm2 0.429
OR { 1504}
(( segid PTB and resid 175 and name HB1 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
OR { 1504}
(( segid PTB and resid 115 and name HB2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
OR { 1504}
(( segid PTB and resid 115 and name HB1 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
OR { 1504}
(( segid PTB and resid 115 and name HG2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
ASSI { 1505}
(( segid PTB and resid 187 and name HG ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.200 2.200 2.300 peak 1505 weight 0.10000E+01 volume 0.50059E+01 ppm1 1.279 ppm2 0.622
OR { 1505}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 1524}
(( segid PTB and resid 108 and name HA ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.100 0.700 0.700 peak 1524 weight 0.10000E+01 volume 0.71449E+01 ppm1 3.666 ppm2 1.095
OR { 1524}
(( segid PTB and resid 197 and name HA ))
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
ASSI { 1529}
(( segid PTB and resid 104 and name HG2 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.600 0.900 0.900 peak 1529 weight 0.10000E+01 volume 0.18537E+01 ppm1 2.426 ppm2 1.079
OR { 1529}
(( segid PTB and resid 111 and name HG2 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
ASSI { 1532}
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
2.400 0.800 0.800 peak 1532 weight 0.10000E+01 volume 0.28766E+01 ppm1 2.222 ppm2 1.574
OR { 1532}
(( segid GPPY and resid 5 and name HB1 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
ASSI { 1534}
(( segid PTB and resid 107 and name HB1 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.600 0.900 0.900 peak 1534 weight 0.10000E+01 volume 0.16139E+01 ppm1 1.969 ppm2 1.099
OR { 1534}
(( segid PTB and resid 107 and name HB2 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
OR { 1534}
(( segid PTB and resid 91 and name HB ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
ASSI { 1537}
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
2.500 0.900 0.900 peak 1537 weight 0.10000E+01 volume 0.22523E+01 ppm1 1.557 ppm2 1.097
OR { 1537}
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
ASSI { 1538}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
2.100 2.100 2.400 peak 1538 weight 0.10000E+01 volume 0.68164E+01 ppm1 1.462 ppm2 1.574
OR { 1538}
(( segid PTB and resid 86 and name HB1 ))
(( segid PTB and resid 178 and name HG ))
OR { 1538}
(( segid PTB and resid 106 and name HB2 ))
(( segid PTB and resid 178 and name HG ))
ASSI { 1541}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.500 0.900 0.900 peak 1541 weight 0.10000E+01 volume 0.25227E+01 ppm1 1.339 ppm2 1.089
OR { 1541}
(( segid PTB and resid 107 and name HG2 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
ASSI { 1544}
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.600 0.900 0.900 peak 1544 weight 0.10000E+01 volume 0.19610E+01 ppm1 0.811 ppm2 1.098
OR { 1544}
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
OR { 1544}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
ASSI { 1563}
(( segid PTB and resid 95 and name HG1 ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
2.400 0.800 0.800 peak 1563 weight 0.10000E+01 volume 0.31143E+01 ppm1 2.216 ppm2 0.877
OR { 1563}
(( segid PTB and resid 95 and name HG2 ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
OR { 1563}
(( segid PTB and resid 93 and name HB ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
ASSI { 1590}
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.400 2.400 2.100 peak 1590 weight 0.10000E+01 volume 0.29106E+01 ppm1 1.605 ppm2 0.906
OR { 1590}
(( segid PTB and resid 178 and name HB2 ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
ASSI { 1704}
(( segid PTB and resid 168 and name HB ))
(( segid PTB and resid 168 and name HG21)
OR
( segid PTB and resid 168 and name HG23)
OR
( segid PTB and resid 168 and name HG22))
1.800 0.600 0.600 peak 1704 weight 0.10000E+01 volume 0.15533E+02 ppm1 4.288 ppm2 1.248
OR { 1704}
(( segid PTB and resid 206 and name HB ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
OR { 1704}
(( segid PTB and resid 168 and name HA ))
(( segid PTB and resid 168 and name HG21)
OR
( segid PTB and resid 168 and name HG23)
OR
( segid PTB and resid 168 and name HG22))
ASSI { 1713}
(( segid PTB and resid 204 and name HG2 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
2.000 2.000 2.500 peak 1713 weight 0.10000E+01 volume 0.87261E+01 ppm1 1.710 ppm2 1.253
OR { 1713}
(( segid PTB and resid 207 and name HG2 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
OR { 1713}
(( segid PTB and resid 205 and name HG1 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
OR { 1713}
(( segid PTB and resid 207 and name HG1 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
ASSI { 1748}
(( segid PTB and resid 132 and name HA ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
2.500 0.900 0.900 peak 1748 weight 0.10000E+01 volume 0.20250E+01 ppm1 4.532 ppm2 1.188
OR { 1748}
(( segid PTB and resid 116 and name HA ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
ASSI { 1758}
(( segid PTB and resid 117 and name HB ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
2.100 0.700 0.700 peak 1758 weight 0.10000E+01 volume 0.57211E+01 ppm1 2.184 ppm2 1.166
OR { 1758}
(( segid PTB and resid 173 and name HG1 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
ASSI { 1767}
(( segid GPPY and resid 7 and name HB2 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
2.400 2.400 2.100 peak 1767 weight 0.10000E+01 volume 0.25559E+01 ppm1 1.479 ppm2 1.241
OR { 1767}
(( segid GPPY and resid 7 and name HB1 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
OR { 1767}
(( segid PTB and resid 209 and name HB1 )
OR
( segid PTB and resid 209 and name HB3 )
OR
( segid PTB and resid 209 and name HB2 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
OR { 1767}
(( segid PTB and resid 136 and name HG2 ))
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
ASSI { 1768}
(( segid PTB and resid 170 and name HG1 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
2.400 0.800 0.800 peak 1768 weight 0.10000E+01 volume 0.25727E+01 ppm1 1.445 ppm2 1.188
OR { 1768}
(( segid PTB and resid 170 and name HG2 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
OR { 1768}
(( segid PTB and resid 86 and name HB1 ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
ASSI { 1796}
(( segid PTB and resid 112 and name HB1 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
2.700 0.900 0.900 peak 1796 weight 0.10000E+01 volume 0.13877E+01 ppm1 4.057 ppm2 0.955
OR { 1796}
(( segid PTB and resid 105 and name HA ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
ASSI { 1801}
(( segid PTB and resid 131 and name HB ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.000 0.700 0.700 peak 1801 weight 0.10000E+01 volume 0.75608E+01 ppm1 1.929 ppm2 0.915
OR { 1801}
(( segid PTB and resid 91 and name HB ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
ASSI { 1802}
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
2.700 0.900 0.900 peak 1802 weight 0.10000E+01 volume 0.15012E+01 ppm1 1.794 ppm2 1.180
OR { 1802}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
OR { 1802}
(( segid PTB and resid 118 and name HB1 ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
ASSI { 1805}
(( segid PTB and resid 129 and name HB2 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.600 0.900 0.900 peak 1805 weight 0.10000E+01 volume 0.17755E+01 ppm1 1.691 ppm2 0.917
OR { 1805}
(( segid PTB and resid 129 and name HB1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1805}
(( segid PTB and resid 136 and name HD2 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1805}
(( segid PTB and resid 107 and name HD1 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
OR { 1805}
(( segid PTB and resid 114 and name HB2 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
OR { 1805}
(( segid PTB and resid 130 and name HB ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1805}
(( segid PTB and resid 138 and name HB2 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
ASSI { 1806}
(( segid PTB and resid 129 and name HB2 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.500 2.500 2.000 peak 1806 weight 0.10000E+01 volume 0.20448E+01 ppm1 1.623 ppm2 0.929
OR { 1806}
(( segid PTB and resid 129 and name HB1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1806}
(( segid PTB and resid 107 and name HD2 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
OR { 1806}
(( segid PTB and resid 136 and name HD1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
ASSI { 1807}
(( segid PTB and resid 120 and name HB2 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.500 0.900 0.900 peak 1807 weight 0.10000E+01 volume 0.20255E+01 ppm1 1.579 ppm2 0.926
OR { 1807}
(( segid PTB and resid 120 and name HB1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1807}
(( segid PTB and resid 107 and name HD2 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
OR { 1807}
(( segid PTB and resid 114 and name HG1 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
ASSI { 1808}
(( segid PTB and resid 116 and name HB2 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.200 0.800 0.800 peak 1808 weight 0.10000E+01 volume 0.47469E+01 ppm1 1.564 ppm2 0.614
OR { 1808}
(( segid PTB and resid 178 and name HB2 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
OR { 1808}
(( segid PTB and resid 178 and name HG ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
ASSI { 1809}
(( segid PTB and resid 90 and name HB1 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
2.600 2.600 1.900 peak 1809 weight 0.10000E+01 volume 0.17553E+01 ppm1 1.529 ppm2 1.181
OR { 1809}
(( segid PTB and resid 140 and name HB ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
OR { 1809}
(( segid PTB and resid 120 and name HB2 ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
OR { 1809}
(( segid PTB and resid 120 and name HB1 ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
OR { 1809}
(( segid PTB and resid 140 and name HB ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
ASSI { 1844}
(( segid PTB and resid 175 and name HE1 ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
2.500 0.900 0.900 peak 1844 weight 0.10000E+01 volume 0.22515E+01 ppm1 6.637 ppm2 0.604
OR { 1844}
(( segid PTB and resid 87 and name HE1 )
OR
( segid PTB and resid 87 and name HE2 ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
ASSI { 1849}
(( segid PTB and resid 132 and name HA ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
2.300 0.800 0.800 peak 1849 weight 0.10000E+01 volume 0.36827E+01 ppm1 4.488 ppm2 1.053
OR { 1849}
(( segid PTB and resid 80 and name HA ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
ASSI { 1875}
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
2.500 0.900 0.900 peak 1875 weight 0.10000E+01 volume 0.21848E+01 ppm1 1.359 ppm2 1.054
OR { 1875}
(( segid PTB and resid 139 and name HG12))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
ASSI { 1881}
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
1.900 0.700 0.700 peak 1881 weight 0.10000E+01 volume 0.11275E+02 ppm1 0.829 ppm2 0.602
OR { 1881}
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
ASSI { 1913}
(( segid PTB and resid 104 and name HB1 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.500 2.500 2.000 peak 1913 weight 0.10000E+01 volume 0.20362E+01 ppm1 2.098 ppm2 0.822
OR { 1913}
(( segid PTB and resid 104 and name HB2 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
OR { 1913}
(( segid PTB and resid 100 and name HB1 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1915}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.500 2.500 2.000 peak 1915 weight 0.10000E+01 volume 0.22926E+01 ppm1 1.756 ppm2 0.819
OR { 1915}
(( segid PTB and resid 163 and name HG11))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
OR { 1915}
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
OR { 1915}
(( segid PTB and resid 163 and name HG12))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
OR { 1915}
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
OR { 1915}
(( segid PTB and resid 106 and name HB1 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1916}
(( segid PTB and resid 95 and name HB1 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.300 0.800 0.800 peak 1916 weight 0.10000E+01 volume 0.36225E+01 ppm1 1.672 ppm2 0.827
OR { 1916}
(( segid PTB and resid 163 and name HB ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1937}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
2.400 0.800 0.800 peak 1937 weight 0.10000E+01 volume 0.28175E+01 ppm1 8.381 ppm2 0.804
OR { 1937}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
ASSI { 1939}
(( segid PTB and resid 142 and name HA ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.400 2.400 2.100 peak 1939 weight 0.10000E+01 volume 0.27615E+01 ppm1 4.410 ppm2 0.802
OR { 1939}
(( segid PTB and resid 93 and name HA ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
OR { 1939}
(( segid PTB and resid 169 and name HA ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
ASSI { 1942}
(( segid PTB and resid 91 and name HB ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
1.800 0.600 0.600 peak 1942 weight 0.10000E+01 volume 0.14435E+02 ppm1 1.958 ppm2 0.816
OR { 1942}
(( segid PTB and resid 101 and name HB ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1944}
(( segid PTB and resid 95 and name HB1 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.300 0.800 0.800 peak 1944 weight 0.10000E+01 volume 0.37594E+01 ppm1 1.645 ppm2 0.820
OR { 1944}
(( segid PTB and resid 130 and name HB ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
ASSI { 1985}
(( segid PTB and resid 138 and name HA ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
2.700 0.900 0.900 peak 1985 weight 0.10000E+01 volume 0.15780E+01 ppm1 4.531 ppm2 0.818
OR { 1985}
(( segid PTB and resid 132 and name HA ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
ASSI { 1986}
(( segid PTB and resid 140 and name HA ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.100 0.700 0.700 peak 1986 weight 0.10000E+01 volume 0.65541E+01 ppm1 4.118 ppm2 0.811
OR { 1986}
(( segid PTB and resid 136 and name HA ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
ASSI { 1995}
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
1.900 1.900 2.600 peak 1995 weight 0.10000E+01 volume 0.10673E+02 ppm1 1.009 ppm2 0.588
OR { 1995}
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
ASSI { 2036}
(( segid PTB and resid 114 and name HG1 ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.600 2.600 1.900 peak 2036 weight 0.10000E+01 volume 0.15933E+01 ppm1 1.563 ppm2 0.941
OR { 2036}
(( segid PTB and resid 90 and name HB1 ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
OR { 2036}
(( segid PTB and resid 114 and name HG2 ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
ASSI { 2042}
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
2.000 0.700 0.700 peak 2042 weight 0.10000E+01 volume 0.93048E+01 ppm1 0.897 ppm2 0.638
OR { 2042}
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
ASSI { 2107}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.700 2.700 1.800 peak 2107 weight 0.10000E+01 volume 0.15809E+01 ppm1 0.965 ppm2 0.699
OR { 2107}
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
ASSI { 2283}
(( segid PTB and resid 209 and name HA ))
(( segid PTB and resid 209 and name HB1 )
OR
( segid PTB and resid 209 and name HB3 )
OR
( segid PTB and resid 209 and name HB2 ))
2.100 0.700 0.700 peak 2283 weight 0.10000E+01 volume 0.62618E+01 ppm1 4.321 ppm2 1.443
OR { 2283}
(( segid PTB and resid 208 and name HA ))
(( segid PTB and resid 208 and name HB1 )
OR
( segid PTB and resid 208 and name HB3 )
OR
( segid PTB and resid 208 and name HB2 ))
ASSI { 2289}
(( segid PTB and resid 145 and name HA ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.500 0.900 0.900 peak 2289 weight 0.10000E+01 volume 0.20382E+01 ppm1 3.959 ppm2 1.188
OR { 2289}
(( segid PTB and resid 144 and name HA ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
OR { 2289}
(( segid PTB and resid 125 and name HA2 ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
ASSI { 2313}
(( segid PTB and resid 145 and name HB1 ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.600 2.600 1.900 peak 2313 weight 0.10000E+01 volume 0.16283E+01 ppm1 2.131 ppm2 1.188
OR { 2313}
(( segid PTB and resid 197 and name HB ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
ASSI { 2315}
(( segid PTB and resid 207 and name HB1 ))
(( segid PTB and resid 208 and name HB1 )
OR
( segid PTB and resid 208 and name HB3 )
OR
( segid PTB and resid 208 and name HB2 ))
2.400 0.800 0.800 peak 2315 weight 0.10000E+01 volume 0.26832E+01 ppm1 1.894 ppm2 1.436
OR { 2315}
(( segid PTB and resid 207 and name HB2 ))
(( segid PTB and resid 208 and name HB1 )
OR
( segid PTB and resid 208 and name HB3 )
OR
( segid PTB and resid 208 and name HB2 ))
OR { 2315}
(( segid PTB and resid 207 and name HB1 ))
(( segid PTB and resid 209 and name HB1 )
OR
( segid PTB and resid 209 and name HB3 )
OR
( segid PTB and resid 209 and name HB2 ))
OR { 2315}
(( segid PTB and resid 207 and name HB2 ))
(( segid PTB and resid 209 and name HB1 )
OR
( segid PTB and resid 209 and name HB3 )
OR
( segid PTB and resid 209 and name HB2 ))
ASSI { 2316}
(( segid PTB and resid 181 and name HB1 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.500 0.900 0.900 peak 2316 weight 0.10000E+01 volume 0.24977E+01 ppm1 1.842 ppm2 1.617
OR { 2316}
(( segid PTB and resid 158 and name HB2 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
OR { 2316}
(( segid PTB and resid 158 and name HB1 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
ASSI { 2414}
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.000 0.700 0.700 peak 2414 weight 0.10000E+01 volume 0.95727E+01 ppm1 0.826 ppm2 0.694
OR { 2414}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
ASSI { 2415}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
1.900 0.700 0.700 peak 2415 weight 0.10000E+01 volume 0.12088E+02 ppm1 0.812 ppm2 1.339
OR { 2415}
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
ASSI { 2434}
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
(( segid PTB and resid 76 and name HA ))
2.400 0.800 0.800 peak 2434 weight 0.10000E+01 volume 0.26506E+01 ppm1 0.587 ppm2 3.729
OR { 2434}
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
(( segid PTB and resid 76 and name HA ))
ASSI { 2452}
(( segid PTB and resid 175 and name HB2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.600 2.600 1.900 peak 2452 weight 0.10000E+01 volume 0.15991E+01 ppm1 2.619 ppm2 0.995
OR { 2452}
(( segid PTB and resid 162 and name HB1 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
OR { 2452}
(( segid PTB and resid 172 and name HB2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
OR { 2452}
(( segid PTB and resid 172 and name HB1 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
ASSI { 2463}
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
(( segid PTB and resid 191 and name HA ))
2.500 0.900 0.900 peak 2463 weight 0.10000E+01 volume 0.22872E+01 ppm1 0.621 ppm2 2.992
OR { 2463}
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
(( segid PTB and resid 191 and name HA ))
ASSI { 2485}
(( segid PTB and resid 197 and name HB ))
(( segid PTB and resid 197 and name HA ))
2.700 0.900 0.900 peak 2485 weight 0.10000E+01 volume 0.15103E+01 ppm1 2.218 ppm2 3.649
OR { 2485}
(( segid PTB and resid 111 and name HB1 ))
(( segid PTB and resid 108 and name HA ))
ASSI { 2489}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.200 2.200 2.300 peak 2489 weight 0.10000E+01 volume 0.43050E+01 ppm1 1.339 ppm2 0.989
OR { 2489}
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
ASSI { 2491}
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
(( segid PTB and resid 197 and name HA ))
1.900 0.700 0.700 peak 2491 weight 0.10000E+01 volume 0.10115E+02 ppm1 1.031 ppm2 3.650
OR { 2491}
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
(( segid PTB and resid 108 and name HA ))
OR { 2491}
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
(( segid PTB and resid 197 and name HA ))
ASSI { 2494}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.600 0.900 0.900 peak 2494 weight 0.10000E+01 volume 0.18879E+01 ppm1 0.781 ppm2 0.976
OR { 2494}
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
ASSI { 2510}
(( segid PTB and resid 108 and name HB ))
(( segid PTB and resid 108 and name HA ))
2.400 0.800 0.800 peak 2510 weight 0.10000E+01 volume 0.29888E+01 ppm1 2.295 ppm2 3.665
OR { 2510}
(( segid PTB and resid 200 and name HB2 ))
(( segid PTB and resid 197 and name HA ))
ASSI { 2547}
(( segid PTB and resid 86 and name HA ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.700 2.700 1.800 peak 2547 weight 0.10000E+01 volume 0.13264E+01 ppm1 5.024 ppm2 0.950
OR { 2547}
(( segid PTB and resid 83 and name HA ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
ASSI { 2621}
(( segid PTB and resid 70 and name HB2 ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
2.600 2.600 1.900 peak 2621 weight 0.10000E+01 volume 0.16389E+01 ppm1 2.090 ppm2 1.482
OR { 2621}
(( segid PTB and resid 74 and name HB2 ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
OR { 2621}
(( segid PTB and resid 74 and name HB1 ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
OR { 2621}
(( segid PTB and resid 68 and name HG2 ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
ASSI { 2653}
(( segid PTB and resid 194 and name HA ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.100 0.700 0.700 peak 2653 weight 0.10000E+01 volume 0.62677E+01 ppm1 3.607 ppm2 1.276
OR { 2653}
(( segid PTB and resid 125 and name HA1 ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
ASSI { 2655}
(( segid PTB and resid 81 and name HB1 ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
2.700 0.900 0.900 peak 2655 weight 0.10000E+01 volume 0.15162E+01 ppm1 3.057 ppm2 1.488
OR { 2655}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
ASSI { 2661}
(( segid PTB and resid 76 and name HB ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.700 0.900 0.900 peak 2661 weight 0.10000E+01 volume 0.14166E+01 ppm1 2.151 ppm2 1.282
OR { 2661}
(( segid PTB and resid 191 and name HB ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
ASSI { 2664}
(( segid PTB and resid 128 and name HG ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.600 2.600 1.900 peak 2664 weight 0.10000E+01 volume 0.18141E+01 ppm1 1.529 ppm2 1.291
OR { 2664}
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
OR { 2664}
(( segid PTB and resid 128 and name HB2 ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
ASSI { 2674}
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.700 0.900 0.900 peak 2674 weight 0.10000E+01 volume 0.15386E+01 ppm1 0.705 ppm2 1.272
OR { 2674}
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
ASSI { 2675}
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
2.400 0.800 0.800 peak 2675 weight 0.10000E+01 volume 0.31551E+01 ppm1 0.610 ppm2 1.478
OR { 2675}
(( segid PTB and resid 187 and name HB1 ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
OR { 2675}
(( segid PTB and resid 187 and name HB2 ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
ASSI { 2802}
(( segid PTB and resid 103 and name HB2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.600 0.900 0.900 peak 2802 weight 0.10000E+01 volume 0.17179E+01 ppm1 1.990 ppm2 2.215
OR { 2802}
(( segid PTB and resid 103 and name HB1 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
OR { 2802}
(( segid GPPY and resid 5 and name HB2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
ASSI { 2891}
(( segid PTB and resid 91 and name HB ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.700 2.700 1.800 peak 2891 weight 0.10000E+01 volume 0.15244E+01 ppm1 1.924 ppm2 1.793
OR { 2891}
(( segid PTB and resid 170 and name HB2 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
OR { 2891}
(( segid PTB and resid 170 and name HB1 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
ASSI { 3031}
(( segid PTB and resid 64 and name HA ))
(( segid PTB and resid 64 and name HB1 ))
1.800 0.600 0.600 peak 3031 weight 0.10000E+01 volume 0.15663E+02 ppm1 4.475 ppm2 3.881
OR { 3031}
(( segid PTB and resid 64 and name HA ))
(( segid PTB and resid 64 and name HB2 ))
OR { 3031}
(( segid PTB and resid 78 and name HA ))
(( segid PTB and resid 78 and name HB1 ))
ASSI { 3070}
(( segid PTB and resid 105 and name HA ))
(( segid PTB and resid 102 and name HA ))
2.500 2.500 2.000 peak 3070 weight 0.10000E+01 volume 0.21964E+01 ppm1 4.057 ppm2 4.218
OR { 3070}
(( segid PTB and resid 99 and name HA ))
(( segid PTB and resid 102 and name HA ))
OR { 3070}
(( segid PTB and resid 104 and name HA ))
(( segid PTB and resid 102 and name HA ))
ASSI { 3389}
(( segid PTB and resid 139 and name HA ))
(( segid PTB and resid 140 and name HA ))
2.400 2.400 2.100 peak 3389 weight 0.10000E+01 volume 0.29551E+01 ppm1 4.284 ppm2 4.121
OR { 3389}
(( segid PTB and resid 168 and name HB ))
(( segid PTB and resid 140 and name HA ))
ASSI { 3396}
(( segid PTB and resid 118 and name HB1 ))
(( segid PTB and resid 117 and name HA ))
2.700 2.700 1.800 peak 3396 weight 0.10000E+01 volume 0.13589E+01 ppm1 1.854 ppm2 4.330
OR { 3396}
(( segid PTB and resid 115 and name HB1 ))
(( segid PTB and resid 117 and name HA ))
OR { 3396}
(( segid PTB and resid 115 and name HB2 ))
(( segid PTB and resid 117 and name HA ))
OR { 3396}
(( segid PTB and resid 121 and name HB2 ))
(( segid PTB and resid 123 and name HA ))
ASSI { 3432}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 139 and name HA ))
2.400 0.800 0.800 peak 3432 weight 0.10000E+01 volume 0.26613E+01 ppm1 1.776 ppm2 4.280
OR { 3432}
(( segid PTB and resid 123 and name HB ))
(( segid PTB and resid 123 and name HA ))
ASSI { 3436}
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
(( segid PTB and resid 117 and name HA ))
2.200 0.800 0.800 peak 3436 weight 0.10000E+01 volume 0.54854E+01 ppm1 0.991 ppm2 4.282
OR { 3436}
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
(( segid PTB and resid 139 and name HA ))
ASSI { 3481}
(( segid PTB and resid 125 and name HA2 ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
2.400 0.800 0.800 peak 3481 weight 0.10000E+01 volume 0.31552E+01 ppm1 3.948 ppm2 0.889
OR { 3481}
(( segid PTB and resid 144 and name HA ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
ASSI { 3523}
(( segid PTB and resid 128 and name HG ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
2.600 0.900 0.900 peak 3523 weight 0.10000E+01 volume 0.18949E+01 ppm1 1.575 ppm2 0.883
OR { 3523}
(( segid PTB and resid 140 and name HB ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
OR { 3523}
(( segid PTB and resid 128 and name HB2 ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
OR { 3523}
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
OR { 3523}
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
ASSI { 3561}
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
1.500 0.500 0.700 peak 3561 weight 0.10000E+01 volume 0.45703E+02 ppm1 1.164 ppm2 0.885
OR { 3561}
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
ASSI { 3590}
(( segid PTB and resid 139 and name HA ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
2.400 2.400 2.100 peak 3590 weight 0.10000E+01 volume 0.26282E+01 ppm1 4.288 ppm2 0.879
OR { 3590}
(( segid PTB and resid 117 and name HA ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
ASSI { 3598}
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
(( segid PTB and resid 130 and name HA ))
2.400 0.800 0.800 peak 3598 weight 0.10000E+01 volume 0.28729E+01 ppm1 0.907 ppm2 5.370
OR { 3598}
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
(( segid PTB and resid 130 and name HA ))
ASSI { 3637}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 85 and name HA ))
2.400 0.800 0.800 peak 3637 weight 0.10000E+01 volume 0.25824E+01 ppm1 9.194 ppm2 5.470
OR { 3637}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 85 and name HA ))
ASSI { 3661}
(( segid PTB and resid 197 and name HB ))
(( segid PTB and resid 77 and name HA ))
2.500 2.500 2.000 peak 3661 weight 0.10000E+01 volume 0.20996E+01 ppm1 2.164 ppm2 3.903
OR { 3661}
(( segid PTB and resid 74 and name HB2 ))
(( segid PTB and resid 73 and name HA ))
OR { 3661}
(( segid PTB and resid 74 and name HB1 ))
(( segid PTB and resid 73 and name HA ))
OR { 3661}
(( segid PTB and resid 81 and name HB2 ))
(( segid PTB and resid 73 and name HA ))
OR { 3661}
(( segid PTB and resid 111 and name HB2 ))
(( segid PTB and resid 107 and name HA ))
OR { 3661}
(( segid PTB and resid 104 and name HB1 ))
(( segid PTB and resid 107 and name HA ))
OR { 3661}
(( segid PTB and resid 81 and name HB2 ))
(( segid PTB and resid 77 and name HA ))
ASSI { 3662}
(( segid PTB and resid 76 and name HB ))
(( segid PTB and resid 73 and name HA ))
2.500 2.500 2.000 peak 3662 weight 0.10000E+01 volume 0.22973E+01 ppm1 2.123 ppm2 3.878
OR { 3662}
(( segid PTB and resid 76 and name HB ))
(( segid PTB and resid 77 and name HA ))
OR { 3662}
(( segid PTB and resid 74 and name HB2 ))
(( segid PTB and resid 73 and name HA ))
OR { 3662}
(( segid PTB and resid 74 and name HB1 ))
(( segid PTB and resid 73 and name HA ))
ASSI { 3670}
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
(( segid PTB and resid 77 and name HA ))
2.500 2.500 2.000 peak 3670 weight 0.10000E+01 volume 0.24373E+01 ppm1 1.630 ppm2 3.872
OR { 3670}
(( segid PTB and resid 107 and name HD2 ))
(( segid PTB and resid 107 and name HA ))
ASSI { 3677}
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
(( segid PTB and resid 77 and name HA ))
2.700 0.900 0.900 peak 3677 weight 0.10000E+01 volume 0.13546E+01 ppm1 0.578 ppm2 3.845
OR { 3677}
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
(( segid PTB and resid 73 and name HA ))
ASSI { 3792}
(( segid PTB and resid 185 and name HG2 ))
(( segid PTB and resid 185 and name HA ))
2.700 0.900 0.900 peak 3792 weight 0.10000E+01 volume 0.14883E+01 ppm1 2.505 ppm2 3.901
OR { 3792}
(( segid PTB and resid 103 and name HG1 ))
(( segid PTB and resid 103 and name HA ))
OR { 3792}
(( segid PTB and resid 185 and name HG1 ))
(( segid PTB and resid 185 and name HA ))
ASSI { 3874}
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
(( segid PTB and resid 110 and name HA ))
2.600 0.900 0.900 peak 3874 weight 0.10000E+01 volume 0.16411E+01 ppm1 0.589 ppm2 4.004
OR { 3874}
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
(( segid PTB and resid 74 and name HA ))
OR { 3874}
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
(( segid PTB and resid 110 and name HA ))
ASSI { 3894}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 91 and name HA ))
2.600 0.900 0.900 peak 3894 weight 0.10000E+01 volume 0.17964E+01 ppm1 8.371 ppm2 4.406
OR { 3894}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 91 and name HA ))
ASSI { 3919}
(( segid PTB and resid 74 and name HG2 ))
(( segid PTB and resid 74 and name HA ))
2.400 0.800 0.800 peak 3919 weight 0.10000E+01 volume 0.30234E+01 ppm1 2.371 ppm2 4.013
OR { 3919}
(( segid PTB and resid 104 and name HG1 ))
(( segid PTB and resid 104 and name HA ))
ASSI { 3921}
(( segid PTB and resid 74 and name HG1 ))
(( segid PTB and resid 74 and name HA ))
2.300 0.800 0.800 peak 3921 weight 0.10000E+01 volume 0.37507E+01 ppm1 2.301 ppm2 3.999
OR { 3921}
(( segid PTB and resid 145 and name HG2 ))
(( segid PTB and resid 145 and name HA ))
ASSI { 3924}
(( segid PTB and resid 104 and name HB2 ))
(( segid PTB and resid 104 and name HA ))
2.000 0.700 0.700 peak 3924 weight 0.10000E+01 volume 0.88828E+01 ppm1 2.116 ppm2 4.015
OR { 3924}
(( segid PTB and resid 104 and name HB1 ))
(( segid PTB and resid 104 and name HA ))
OR { 3924}
(( segid PTB and resid 74 and name HB1 ))
(( segid PTB and resid 74 and name HA ))
ASSI { 3925}
(( segid PTB and resid 70 and name HB2 ))
(( segid PTB and resid 70 and name HA ))
2.000 0.700 0.700 peak 3925 weight 0.10000E+01 volume 0.91094E+01 ppm1 2.105 ppm2 4.166
OR { 3925}
(( segid PTB and resid 100 and name HB1 ))
(( segid PTB and resid 100 and name HA ))
ASSI { 3927}
(( segid PTB and resid 107 and name HB1 ))
(( segid PTB and resid 104 and name HA ))
2.100 0.700 0.700 peak 3927 weight 0.10000E+01 volume 0.57911E+01 ppm1 1.960 ppm2 4.032
OR { 3927}
(( segid PTB and resid 107 and name HB2 ))
(( segid PTB and resid 104 and name HA ))
OR { 3927}
(( segid PTB and resid 103 and name HB1 ))
(( segid PTB and resid 104 and name HA ))
ASSI { 3930}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 91 and name HA ))
2.300 0.800 0.800 peak 3930 weight 0.10000E+01 volume 0.38280E+01 ppm1 0.932 ppm2 4.415
OR { 3930}
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
(( segid PTB and resid 91 and name HA ))
ASSI { 3947}
(( segid PTB and resid 201 and name HB1 ))
(( segid PTB and resid 201 and name HA ))
2.100 0.700 0.700 peak 3947 weight 0.10000E+01 volume 0.58205E+01 ppm1 2.018 ppm2 4.151
OR { 3947}
(( segid PTB and resid 202 and name HB1 ))
(( segid PTB and resid 202 and name HA ))
OR { 3947}
(( segid PTB and resid 202 and name HB2 ))
(( segid PTB and resid 202 and name HA ))
OR { 3947}
(( segid PTB and resid 201 and name HB2 ))
(( segid PTB and resid 201 and name HA ))
OR { 3947}
(( segid PTB and resid 103 and name HB2 ))
(( segid PTB and resid 100 and name HA ))
ASSI { 4050}
(( segid PTB and resid 64 and name HB1 ))
(( segid PTB and resid 64 and name HA ))
2.100 0.700 0.700 peak 4050 weight 0.10000E+01 volume 0.70565E+01 ppm1 3.933 ppm2 4.447
OR { 4050}
(( segid PTB and resid 78 and name HB2 ))
(( segid PTB and resid 78 and name HA ))
OR { 4050}
(( segid PTB and resid 64 and name HB2 ))
(( segid PTB and resid 64 and name HA ))
ASSI { 4064}
(( segid PTB and resid 154 and name HG2 ))
(( segid PTB and resid 154 and name HA ))
2.200 0.800 0.800 peak 4064 weight 0.10000E+01 volume 0.43797E+01 ppm1 1.831 ppm2 4.115
OR { 4064}
(( segid PTB and resid 154 and name HB1 ))
(( segid PTB and resid 154 and name HA ))
OR { 4064}
(( segid PTB and resid 154 and name HB2 ))
(( segid PTB and resid 154 and name HA ))
OR { 4064}
(( segid PTB and resid 199 and name HG ))
(( segid PTB and resid 199 and name HA ))
ASSI { 4185}
(( segid PTB and resid 112 and name HB1 ))
(( segid PTB and resid 109 and name HA ))
2.600 0.900 0.900 peak 4185 weight 0.10000E+01 volume 0.16937E+01 ppm1 4.036 ppm2 3.857
OR { 4185}
(( segid PTB and resid 110 and name HA ))
(( segid PTB and resid 109 and name HA ))
ASSI { 4338}
(( segid PTB and resid 204 and name HG2 ))
(( segid PTB and resid 204 and name HA ))
2.700 0.900 0.900 peak 4338 weight 0.10000E+01 volume 0.13976E+01 ppm1 1.697 ppm2 4.268
OR { 4338}
(( segid PTB and resid 199 and name HB2 ))
(( segid PTB and resid 203 and name HA ))
ASSI { 4407}
(( segid PTB and resid 83 and name HB1 ))
(( segid PTB and resid 82 and name HA ))
2.700 2.700 1.800 peak 4407 weight 0.10000E+01 volume 0.13561E+01 ppm1 2.916 ppm2 5.473
OR { 4407}
(( segid PTB and resid 87 and name HB1 ))
(( segid PTB and resid 177 and name HA ))
ASSI { 4408}
(( segid PTB and resid 157 and name HB2 ))
(( segid PTB and resid 156 and name HA ))
2.500 2.500 2.000 peak 4408 weight 0.10000E+01 volume 0.20055E+01 ppm1 2.810 ppm2 4.591
OR { 4408}
(( segid PTB and resid 155 and name HB1 ))
(( segid PTB and resid 156 and name HA ))
ASSI { 4625}
(( segid PTB and resid 207 and name HG1 ))
(( segid PTB and resid 207 and name HA ))
2.300 0.800 0.800 peak 4625 weight 0.10000E+01 volume 0.36289E+01 ppm1 1.695 ppm2 4.302
OR { 4625}
(( segid PTB and resid 207 and name HG2 ))
(( segid PTB and resid 207 and name HA ))
OR { 4625}
(( segid PTB and resid 113 and name HG1 ))
(( segid PTB and resid 113 and name HA ))
ASSI { 4648}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 162 and name HA ))
2.700 0.900 0.900 peak 4648 weight 0.10000E+01 volume 0.15200E+01 ppm1 9.164 ppm2 5.520
OR { 4648}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 174 and name HA ))
ASSI { 4810}
(( segid PTB and resid 197 and name HB ))
(( segid PTB and resid 194 and name HA ))
2.500 2.500 2.000 peak 4810 weight 0.10000E+01 volume 0.20190E+01 ppm1 2.170 ppm2 3.616
OR { 4810}
(( segid PTB and resid 81 and name HB2 ))
(( segid PTB and resid 194 and name HA ))
ASSI { 4818}
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
(( segid PTB and resid 194 and name HA ))
2.300 0.800 0.800 peak 4818 weight 0.10000E+01 volume 0.34216E+01 ppm1 0.589 ppm2 3.609
OR { 4818}
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
(( segid PTB and resid 194 and name HA ))
ASSI { 4883}
(( segid PTB and resid 86 and name HB2 ))
(( segid PTB and resid 86 and name HA ))
2.400 0.800 0.800 peak 4883 weight 0.10000E+01 volume 0.26060E+01 ppm1 1.849 ppm2 4.995
OR { 4883}
(( segid PTB and resid 118 and name HB1 ))
(( segid PTB and resid 118 and name HA ))
ASSI { 99}
(( segid PTB and resid 113 and name HA ))
(( segid PTB and resid 114 and name HB2 ))
2.900 1.700 1.700 peak 99 weight 0.10000E+01 volume 0.12709E+01 ppm1 4.305 ppm2 1.715
OR { 99}
(( segid PTB and resid 112 and name HA ))
(( segid PTB and resid 114 and name HB2 ))
OR { 99}
(( segid PTB and resid 113 and name HA ))
(( segid PTB and resid 114 and name HB1 ))
ASSI { 131}
(( segid PTB and resid 205 and name HA ))
(( segid PTB and resid 205 and name HB2 ))
2.400 1.200 1.200 peak 131 weight 0.10000E+01 volume 0.41872E+01 ppm1 4.337 ppm2 1.925
OR { 131}
(( segid PTB and resid 207 and name HA ))
(( segid PTB and resid 207 and name HB1 ))
OR { 131}
(( segid PTB and resid 205 and name HA ))
(( segid PTB and resid 205 and name HB1 ))
OR { 131}
(( segid PTB and resid 207 and name HA ))
(( segid PTB and resid 207 and name HB2 ))
ASSI { 135}
(( segid PTB and resid 205 and name HD1 ))
(( segid PTB and resid 205 and name HB2 ))
2.300 1.100 1.100 peak 135 weight 0.10000E+01 volume 0.55344E+01 ppm1 3.247 ppm2 1.883
OR { 135}
(( segid PTB and resid 207 and name HD2 ))
(( segid PTB and resid 207 and name HB1 ))
OR { 135}
(( segid PTB and resid 207 and name HD2 ))
(( segid PTB and resid 207 and name HB2 ))
OR { 135}
(( segid PTB and resid 205 and name HD2 ))
(( segid PTB and resid 205 and name HB2 ))
OR { 135}
(( segid PTB and resid 207 and name HD1 ))
(( segid PTB and resid 207 and name HB1 ))
OR { 135}
(( segid PTB and resid 205 and name HD1 ))
(( segid PTB and resid 205 and name HB1 ))
ASSI { 195}
(( segid PTB and resid 203 and name HB2 ))
(( segid PTB and resid 205 and name HB2 ))
2.900 1.700 1.700 peak 195 weight 0.10000E+01 volume 0.12923E+01 ppm1 2.146 ppm2 1.963
OR { 195}
(( segid PTB and resid 203 and name HB2 ))
(( segid PTB and resid 204 and name HB2 ))
OR { 195}
(( segid PTB and resid 203 and name HB2 ))
(( segid PTB and resid 204 and name HB1 ))
OR { 195}
(( segid PTB and resid 203 and name HB1 ))
(( segid PTB and resid 204 and name HB2 ))
OR { 195}
(( segid PTB and resid 203 and name HB1 ))
(( segid PTB and resid 204 and name HB1 ))
OR { 195}
(( segid PTB and resid 203 and name HB1 ))
(( segid PTB and resid 205 and name HB2 ))
ASSI { 247}
(( segid PTB and resid 108 and name HA ))
(( segid PTB and resid 110 and name HB1 ))
2.900 1.700 1.700 peak 247 weight 0.10000E+01 volume 0.13957E+01 ppm1 3.643 ppm2 1.838
OR { 247}
(( segid PTB and resid 108 and name HA ))
(( segid PTB and resid 110 and name HB2 ))
OR { 247}
(( segid PTB and resid 197 and name HA ))
(( segid PTB and resid 77 and name HB2 ))
OR { 247}
(( segid PTB and resid 159 and name HA2 ))
(( segid PTB and resid 154 and name HB2 ))
OR { 247}
(( segid PTB and resid 125 and name HA1 ))
(( segid PTB and resid 77 and name HB2 ))
OR { 247}
(( segid PTB and resid 159 and name HA2 ))
(( segid PTB and resid 154 and name HB1 ))
ASSI { 258}
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
(( segid PTB and resid 115 and name HB1 ))
2.900 1.700 1.700 peak 258 weight 0.10000E+01 volume 0.13333E+01 ppm1 1.044 ppm2 1.798
OR { 258}
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
(( segid PTB and resid 115 and name HB2 ))
OR { 258}
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
(( segid PTB and resid 115 and name HG1 ))
OR { 258}
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
(( segid PTB and resid 115 and name HG2 ))
OR { 258}
(( segid PTB and resid 88 and name HG ))
(( segid PTB and resid 115 and name HB1 ))
OR { 258}
(( segid PTB and resid 88 and name HG ))
(( segid PTB and resid 115 and name HB2 ))
OR { 258}
(( segid PTB and resid 88 and name HG ))
(( segid PTB and resid 115 and name HG2 ))
OR { 258}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 115 and name HB2 ))
OR { 258}
(( segid PTB and resid 88 and name HG ))
(( segid PTB and resid 115 and name HG1 ))
OR { 258}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 115 and name HG2 ))
ASSI { 270}
(( segid PTB and resid 133 and name HA ))
(( segid PTB and resid 134 and name HB1 ))
2.900 1.700 1.700 peak 270 weight 0.10000E+01 volume 0.13769E+01 ppm1 4.526 ppm2 2.290
OR { 270}
(( segid PTB and resid 133 and name HA ))
(( segid PTB and resid 134 and name HB2 ))
OR { 270}
(( segid PTB and resid 132 and name HA ))
(( segid PTB and resid 134 and name HB1 ))
OR { 270}
(( segid PTB and resid 132 and name HA ))
(( segid PTB and resid 134 and name HB2 ))
ASSI { 287}
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
(( segid PTB and resid 86 and name HD2 ))
2.900 1.700 1.700 peak 287 weight 0.10000E+01 volume 0.12431E+01 ppm1 0.584 ppm2 1.639
OR { 287}
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
(( segid PTB and resid 86 and name HD1 ))
OR { 287}
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
(( segid PTB and resid 86 and name HD2 ))
OR { 287}
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
(( segid PTB and resid 86 and name HD1 ))
OR { 287}
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
(( segid PTB and resid 86 and name HD2 ))
ASSI { 297}
(( segid PTB and resid 197 and name HA ))
(( segid PTB and resid 200 and name HB1 ))
2.900 1.700 1.700 peak 297 weight 0.10000E+01 volume 0.12677E+01 ppm1 3.640 ppm2 2.141
OR { 297}
(( segid PTB and resid 150 and name HB2 ))
(( segid PTB and resid 191 and name HB ))
OR { 297}
(( segid PTB and resid 159 and name HA2 ))
(( segid PTB and resid 157 and name HB1 ))
ASSI { 332}
(( segid PTB and resid 96 and name HB2 ))
(( segid PTB and resid 172 and name HB2 ))
3.000 1.800 1.800 peak 332 weight 0.10000E+01 volume 0.12345E+01 ppm1 1.470 ppm2 2.620
OR { 332}
(( segid PTB and resid 171 and name HG1 ))
(( segid PTB and resid 172 and name HB1 ))
ASSI { 358}
(( segid PTB and resid 201 and name HA ))
(( segid PTB and resid 202 and name HD2 ))
2.800 1.600 1.600 peak 358 weight 0.10000E+01 volume 0.17740E+01 ppm1 4.111 ppm2 1.730
OR { 358}
(( segid PTB and resid 201 and name HA ))
(( segid PTB and resid 202 and name HD1 ))
OR { 358}
(( segid PTB and resid 200 and name HA ))
(( segid PTB and resid 202 and name HD2 ))
OR { 358}
(( segid PTB and resid 200 and name HA ))
(( segid PTB and resid 202 and name HD1 ))
ASSI { 369}
(( segid PTB and resid 111 and name HB2 ))
(( segid PTB and resid 107 and name HD1 ))
2.800 1.600 1.600 peak 369 weight 0.10000E+01 volume 0.18880E+01 ppm1 2.137 ppm2 1.708
OR { 369}
(( segid PTB and resid 104 and name HB1 ))
(( segid PTB and resid 107 and name HD1 ))
ASSI { 401}
(( segid PTB and resid 78 and name HB1 ))
(( segid PTB and resid 74 and name HB2 ))
2.900 1.700 1.700 peak 401 weight 0.10000E+01 volume 0.14644E+01 ppm1 3.893 ppm2 2.138
OR { 401}
(( segid PTB and resid 78 and name HB1 ))
(( segid PTB and resid 74 and name HB1 ))
OR { 401}
(( segid PTB and resid 73 and name HA ))
(( segid PTB and resid 74 and name HB2 ))
OR { 401}
(( segid PTB and resid 73 and name HA ))
(( segid PTB and resid 74 and name HB1 ))
OR { 401}
(( segid PTB and resid 78 and name HB2 ))
(( segid PTB and resid 74 and name HB1 ))
OR { 401}
(( segid PTB and resid 78 and name HB2 ))
(( segid PTB and resid 74 and name HB2 ))
OR { 401}
(( segid PTB and resid 144 and name HA ))
(( segid PTB and resid 145 and name HB1 ))
ASSI { 439}
(( segid PTB and resid 113 and name HB2 ))
(( segid PTB and resid 113 and name HB1 ))
2.100 0.900 0.900 peak 439 weight 0.10000E+01 volume 0.86034E+01 ppm1 2.025 ppm2 1.834
OR { 439}
(( segid PTB and resid 68 and name HG2 ))
(( segid PTB and resid 68 and name HB1 ))
OR { 439}
(( segid PTB and resid 68 and name HG2 ))
(( segid PTB and resid 68 and name HB2 ))
ASSI { 455}
(( segid PTB and resid 101 and name HA ))
(( segid PTB and resid 104 and name HB2 ))
2.900 1.700 1.700 peak 455 weight 0.10000E+01 volume 0.14220E+01 ppm1 3.642 ppm2 2.123
OR { 455}
(( segid PTB and resid 108 and name HA ))
(( segid PTB and resid 111 and name HB2 ))
OR { 455}
(( segid PTB and resid 101 and name HA ))
(( segid PTB and resid 104 and name HB1 ))
ASSI { 533}
(( segid PTB and resid 133 and name HB1 ))
(( segid PTB and resid 118 and name HG2 ))
2.900 1.700 1.700 peak 533 weight 0.10000E+01 volume 0.13391E+01 ppm1 2.594 ppm2 1.706
OR { 533}
(( segid PTB and resid 133 and name HB2 ))
(( segid PTB and resid 118 and name HG2 ))
OR { 533}
(( segid PTB and resid 133 and name HB1 ))
(( segid PTB and resid 118 and name HG1 ))
OR { 533}
(( segid PTB and resid 180 and name HB1 ))
(( segid PTB and resid 118 and name HG2 ))
OR { 533}
(( segid PTB and resid 180 and name HB1 ))
(( segid PTB and resid 118 and name HG1 ))
ASSI { 537}
(( segid PTB and resid 86 and name HD1 ))
(( segid PTB and resid 118 and name HG1 ))
2.000 2.000 2.500 peak 537 weight 0.10000E+01 volume 0.11622E+02 ppm1 1.593 ppm2 1.718
OR { 537}
(( segid PTB and resid 86 and name HD2 ))
(( segid PTB and resid 118 and name HG1 ))
OR { 537}
(( segid PTB and resid 86 and name HD1 ))
(( segid PTB and resid 118 and name HG2 ))
OR { 537}
(( segid PTB and resid 116 and name HB2 ))
(( segid PTB and resid 118 and name HG1 ))
ASSI { 600}
(( segid PTB and resid 204 and name HA ))
(( segid PTB and resid 204 and name HG1 ))
2.600 1.400 1.400 peak 600 weight 0.10000E+01 volume 0.28210E+01 ppm1 4.242 ppm2 1.797
OR { 600}
(( segid PTB and resid 66 and name HA ))
(( segid PTB and resid 66 and name HG2 ))
OR { 600}
(( segid PTB and resid 66 and name HA ))
(( segid PTB and resid 66 and name HG1 ))
ASSI { 608}
(( segid PTB and resid 72 and name HB1 ))
(( segid PTB and resid 81 and name HB1 ))
2.700 1.500 1.500 peak 608 weight 0.10000E+01 volume 0.22084E+01 ppm1 3.035 ppm2 3.055
OR { 608}
(( segid PTB and resid 191 and name HA ))
(( segid PTB and resid 81 and name HB1 ))
OR { 608}
(( segid PTB and resid 82 and name HB1 ))
(( segid PTB and resid 81 and name HB1 ))
OR { 608}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 81 and name HB1 ))
ASSI { 619}
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
(( segid PTB and resid 204 and name HG2 ))
2.900 1.700 1.700 peak 619 weight 0.10000E+01 volume 0.13172E+01 ppm1 1.272 ppm2 1.717
OR { 619}
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
(( segid PTB and resid 205 and name HG1 ))
ASSI { 658}
(( segid PTB and resid 204 and name HD1 ))
(( segid PTB and resid 204 and name HG2 ))
1.800 0.600 0.600 peak 658 weight 0.10000E+01 volume 0.20781E+02 ppm1 3.238 ppm2 1.715
OR { 658}
(( segid PTB and resid 204 and name HD2 ))
(( segid PTB and resid 204 and name HG2 ))
OR { 658}
(( segid PTB and resid 205 and name HD2 ))
(( segid PTB and resid 205 and name HG2 ))
OR { 658}
(( segid PTB and resid 113 and name HD2 ))
(( segid PTB and resid 113 and name HG1 ))
OR { 658}
(( segid PTB and resid 205 and name HD1 ))
(( segid PTB and resid 205 and name HG1 ))
OR { 658}
(( segid PTB and resid 113 and name HD1 ))
(( segid PTB and resid 113 and name HG2 ))
OR { 658}
(( segid PTB and resid 205 and name HD2 ))
(( segid PTB and resid 205 and name HG1 ))
OR { 658}
(( segid PTB and resid 113 and name HD1 ))
(( segid PTB and resid 113 and name HG1 ))
OR { 658}
(( segid PTB and resid 113 and name HD2 ))
(( segid PTB and resid 113 and name HG2 ))
ASSI { 671}
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
(( segid PTB and resid 81 and name HB1 ))
2.800 1.600 1.600 peak 671 weight 0.10000E+01 volume 0.15781E+01 ppm1 1.323 ppm2 3.113
OR { 671}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 102 and name HB1 ))
ASSI { 697}
(( segid GPPY and resid 7 and name HA ))
(( segid PTB and resid 204 and name HG1 ))
2.800 1.600 1.600 peak 697 weight 0.10000E+01 volume 0.17401E+01 ppm1 4.144 ppm2 1.750
OR { 697}
(( segid GPPY and resid 7 and name HA ))
(( segid PTB and resid 204 and name HG2 ))
OR { 697}
(( segid PTB and resid 202 and name HA ))
(( segid PTB and resid 204 and name HG2 ))
ASSI { 779}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 114 and name HG1 ))
2.900 1.700 1.700 peak 779 weight 0.10000E+01 volume 0.15107E+01 ppm1 0.942 ppm2 1.608
OR { 779}
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
(( segid PTB and resid 114 and name HG1 ))
OR { 779}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 114 and name HG2 ))
OR { 779}
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
(( segid PTB and resid 114 and name HG2 ))
ASSI { 970}
(( segid PTB and resid 114 and name HD1 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
2.900 1.700 1.700 peak 970 weight 0.10000E+01 volume 0.12694E+01 ppm1 3.187 ppm2 0.498
OR { 970}
(( segid PTB and resid 114 and name HD2 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
OR { 970}
(( segid PTB and resid 102 and name HB1 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
OR { 970}
(( segid PTB and resid 177 and name HB1 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
ASSI { 976}
(( segid PTB and resid 175 and name HB1 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
2.600 1.400 1.400 peak 976 weight 0.10000E+01 volume 0.27976E+01 ppm1 1.783 ppm2 0.490
OR { 976}
(( segid PTB and resid 106 and name HB1 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
OR { 976}
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
ASSI { 979}
(( segid PTB and resid 114 and name HG1 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
2.400 1.200 1.200 peak 979 weight 0.10000E+01 volume 0.42751E+01 ppm1 1.600 ppm2 0.490
OR { 979}
(( segid PTB and resid 114 and name HG2 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
OR { 979}
(( segid PTB and resid 90 and name HB1 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
OR { 979}
(( segid PTB and resid 90 and name HB2 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
ASSI { 999}
(( segid PTB and resid 127 and name HA2 ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.900 1.700 1.700 peak 999 weight 0.10000E+01 volume 0.13633E+01 ppm1 4.478 ppm2 0.295
OR { 999}
(( segid PTB and resid 147 and name HA ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
ASSI { 1000}
(( segid PTB and resid 103 and name HA ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
2.700 1.500 1.500 peak 1000 weight 0.10000E+01 volume 0.20600E+01 ppm1 3.875 ppm2 0.873
OR { 1000}
(( segid PTB and resid 107 and name HA ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 1002}
(( segid PTB and resid 131 and name HB ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
2.700 1.500 1.500 peak 1002 weight 0.10000E+01 volume 0.20761E+01 ppm1 1.923 ppm2 0.852
OR { 1002}
(( segid PTB and resid 107 and name HB2 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
OR { 1002}
(( segid PTB and resid 107 and name HB1 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
OR { 1002}
(( segid PTB and resid 110 and name HB2 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
OR { 1002}
(( segid PTB and resid 121 and name HB2 ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
OR { 1002}
(( segid PTB and resid 131 and name HB ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
OR { 1002}
(( segid PTB and resid 121 and name HB1 ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
OR { 1002}
(( segid PTB and resid 103 and name HB2 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 1003}
(( segid PTB and resid 86 and name HB2 ))
(( segid PTB and resid 178 and name HD11)
OR
( segid PTB and resid 178 and name HD13)
OR
( segid PTB and resid 178 and name HD12))
2.600 1.400 1.400 peak 1003 weight 0.10000E+01 volume 0.24476E+01 ppm1 1.885 ppm2 0.824
OR { 1003}
(( segid PTB and resid 131 and name HB ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
OR { 1003}
(( segid PTB and resid 110 and name HB2 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 1010}
(( segid PTB and resid 86 and name HG2 ))
(( segid PTB and resid 178 and name HD11)
OR
( segid PTB and resid 178 and name HD13)
OR
( segid PTB and resid 178 and name HD12))
2.900 1.700 1.700 peak 1010 weight 0.10000E+01 volume 0.12713E+01 ppm1 1.231 ppm2 0.816
OR { 1010}
(( segid PTB and resid 86 and name HG1 ))
(( segid PTB and resid 178 and name HD11)
OR
( segid PTB and resid 178 and name HD13)
OR
( segid PTB and resid 178 and name HD12))
OR { 1010}
(( segid PTB and resid 168 and name HG21)
OR
( segid PTB and resid 168 and name HG23)
OR
( segid PTB and resid 168 and name HG22))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
ASSI { 1076}
(( segid PTB and resid 111 and name HB1 ))
(( segid PTB and resid 107 and name HG2 ))
2.700 1.500 1.500 peak 1076 weight 0.10000E+01 volume 0.21230E+01 ppm1 2.233 ppm2 1.323
OR { 1076}
(( segid PTB and resid 111 and name HB1 ))
(( segid PTB and resid 107 and name HG1 ))
OR { 1076}
(( segid PTB and resid 165 and name HD1 ))
(( segid PTB and resid 97 and name HG2 ))
OR { 1076}
(( segid PTB and resid 165 and name HD2 ))
(( segid PTB and resid 97 and name HG2 ))
OR { 1076}
(( segid PTB and resid 108 and name HB ))
(( segid PTB and resid 107 and name HG2 ))
ASSI { 1088}
(( segid PTB and resid 195 and name HA ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
2.400 1.200 1.200 peak 1088 weight 0.10000E+01 volume 0.43600E+01 ppm1 4.272 ppm2 0.946
OR { 1088}
(( segid PTB and resid 204 and name HA ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
ASSI { 1100}
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
2.500 2.500 2.000 peak 1100 weight 0.10000E+01 volume 0.32902E+01 ppm1 1.597 ppm2 0.944
OR { 1100}
(( segid PTB and resid 144 and name HG11))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
ASSI { 1147}
(( segid PTB and resid 129 and name HD2 ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
3.100 1.900 1.900 peak 1147 weight 0.10000E+01 volume 0.90000E+00 ppm1 2.980 ppm2 0.863
OR { 1147}
(( segid PTB and resid 129 and name HD1 ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
OR { 1147}
(( segid PTB and resid 122 and name HB2 ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
ASSI { 1172}
(( segid PTB and resid 180 and name HB1 ))
(( segid PTB and resid 181 and name HG1 ))
3.100 1.900 1.900 peak 1172 weight 0.10000E+01 volume 0.90000E+00 ppm1 2.642 ppm2 1.387
OR { 1172}
(( segid PTB and resid 180 and name HB1 ))
(( segid PTB and resid 181 and name HG2 ))
OR { 1172}
(( segid PTB and resid 132 and name HB2 ))
(( segid PTB and resid 136 and name HG2 ))
ASSI { 1186}
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
2.700 1.500 1.500 peak 1186 weight 0.10000E+01 volume 0.20801E+01 ppm1 0.898 ppm2 0.302
OR { 1186}
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
OR { 1186}
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
ASSI { 1212}
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
1.700 0.600 0.600 peak 1212 weight 0.10000E+01 volume 0.37690E+02 ppm1 0.854 ppm2 0.759
OR { 1212}
(( segid PTB and resid 120 and name HG ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
OR { 1212}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
ASSI { 1225}
(( segid PTB and resid 84 and name HB1 ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
2.400 1.200 1.200 peak 1225 weight 0.10000E+01 volume 0.47983E+01 ppm1 3.982 ppm2 0.753
OR { 1225}
(( segid PTB and resid 84 and name HB2 ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
OR { 1225}
(( segid PTB and resid 105 and name HA ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
ASSI { 1234}
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
2.700 2.700 1.800 peak 1234 weight 0.10000E+01 volume 0.21073E+01 ppm1 1.470 ppm2 0.706
OR { 1234}
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
ASSI { 1266}
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.500 2.500 2.000 peak 1266 weight 0.10000E+01 volume 0.33902E+01 ppm1 0.698 ppm2 1.002
OR { 1266}
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
ASSI { 1280}
(( segid PTB and resid 125 and name HA2 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.600 1.400 1.400 peak 1280 weight 0.10000E+01 volume 0.23899E+01 ppm1 4.005 ppm2 1.024
OR { 1280}
(( segid PTB and resid 193 and name HA ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
OR { 1280}
(( segid PTB and resid 124 and name HB2 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
OR { 1280}
(( segid PTB and resid 74 and name HA ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
ASSI { 1291}
(( segid PTB and resid 204 and name HB2 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
2.300 1.100 1.100 peak 1291 weight 0.10000E+01 volume 0.55526E+01 ppm1 1.947 ppm2 0.951
OR { 1291}
(( segid GPPY and resid 3 and name HB ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
OR { 1291}
(( segid PTB and resid 204 and name HB1 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
ASSI { 1295}
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.300 2.300 2.200 peak 1295 weight 0.10000E+01 volume 0.51621E+01 ppm1 1.573 ppm2 1.020
OR { 1295}
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
OR { 1295}
(( segid PTB and resid 77 and name HG1 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
OR { 1295}
(( segid PTB and resid 77 and name HG2 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
ASSI { 1320}
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.200 1.000 1.000 peak 1320 weight 0.10000E+01 volume 0.75230E+01 ppm1 0.903 ppm2 0.645
OR { 1320}
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
OR { 1320}
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 1332}
(( segid PTB and resid 88 and name HA ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.700 1.500 1.500 peak 1332 weight 0.10000E+01 volume 0.19587E+01 ppm1 4.044 ppm2 0.424
OR { 1332}
(( segid PTB and resid 112 and name HB1 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
OR { 1332}
(( segid PTB and resid 110 and name HA ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
ASSI { 1333}
(( segid PTB and resid 88 and name HA ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.900 1.700 1.700 peak 1333 weight 0.10000E+01 volume 0.12909E+01 ppm1 3.963 ppm2 0.420
OR { 1333}
(( segid PTB and resid 112 and name HB2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
OR { 1333}
(( segid PTB and resid 110 and name HA ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
ASSI { 1373}
(( segid PTB and resid 122 and name HB2 ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.600 1.400 1.400 peak 1373 weight 0.10000E+01 volume 0.25458E+01 ppm1 2.992 ppm2 0.596
OR { 1373}
(( segid PTB and resid 122 and name HB1 ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
OR { 1373}
(( segid PTB and resid 191 and name HA ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 1390}
(( segid PTB and resid 77 and name HA ))
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
3.000 1.800 1.800 peak 1390 weight 0.10000E+01 volume 0.12302E+01 ppm1 3.864 ppm2 1.086
OR { 1390}
(( segid PTB and resid 107 and name HA ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
ASSI { 1398}
(( segid PTB and resid 104 and name HG2 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.600 1.400 1.400 peak 1398 weight 0.10000E+01 volume 0.23776E+01 ppm1 2.432 ppm2 1.092
OR { 1398}
(( segid PTB and resid 111 and name HG2 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
OR { 1398}
(( segid PTB and resid 126 and name HB1 ))
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
ASSI { 1402}
(( segid PTB and resid 191 and name HB ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
2.900 1.700 1.700 peak 1402 weight 0.10000E+01 volume 0.13977E+01 ppm1 2.151 ppm2 0.610
OR { 1402}
(( segid PTB and resid 76 and name HB ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
OR { 1402}
(( segid PTB and resid 191 and name HB ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 1409}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
2.100 2.100 2.400 peak 1409 weight 0.10000E+01 volume 0.10663E+02 ppm1 1.459 ppm2 1.570
OR { 1409}
(( segid PTB and resid 86 and name HB1 ))
(( segid PTB and resid 178 and name HG ))
ASSI { 1436}
(( segid PTB and resid 87 and name HB1 ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.900 1.700 1.700 peak 1436 weight 0.10000E+01 volume 0.14474E+01 ppm1 2.907 ppm2 0.952
OR { 1436}
(( segid PTB and resid 177 and name HB2 ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
ASSI { 1443}
(( segid PTB and resid 187 and name HG ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.700 1.500 1.500 peak 1443 weight 0.10000E+01 volume 0.19843E+01 ppm1 1.324 ppm2 0.884
OR { 1443}
(( segid PTB and resid 178 and name HB1 ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
OR { 1443}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
ASSI { 1469}
(( segid PTB and resid 121 and name HB1 ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.900 1.700 1.700 peak 1469 weight 0.10000E+01 volume 0.13459E+01 ppm1 1.872 ppm2 0.925
OR { 1469}
(( segid PTB and resid 86 and name HB2 ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
OR { 1469}
(( segid PTB and resid 121 and name HB2 ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
ASSI { 1500}
(( segid PTB and resid 130 and name HB ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
2.500 1.300 1.300 peak 1500 weight 0.10000E+01 volume 0.37135E+01 ppm1 1.729 ppm2 0.898
OR { 1500}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
ASSI { 1523}
(( segid PTB and resid 77 and name HD2 ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
2.800 1.600 1.600 peak 1523 weight 0.10000E+01 volume 0.17870E+01 ppm1 3.135 ppm2 1.026
OR { 1523}
(( segid PTB and resid 77 and name HD1 ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
OR { 1523}
(( segid PTB and resid 176 and name HA2 ))
(( segid PTB and resid 88 and name HG ))
ASSI { 1562}
(( segid PTB and resid 86 and name HB2 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.700 1.500 1.500 peak 1562 weight 0.10000E+01 volume 0.20449E+01 ppm1 1.865 ppm2 0.634
OR { 1562}
(( segid PTB and resid 110 and name HB2 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
OR { 1562}
(( segid PTB and resid 110 and name HB1 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
ASSI { 1616}
(( segid PTB and resid 86 and name HB1 ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
2.800 1.600 1.600 peak 1616 weight 0.10000E+01 volume 0.17597E+01 ppm1 1.417 ppm2 1.174
OR { 1616}
(( segid PTB and resid 171 and name HG1 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
OR { 1616}
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
OR { 1616}
(( segid PTB and resid 171 and name HG2 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
ASSI { 1618}
(( segid PTB and resid 139 and name HG11))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
2.400 2.400 2.100 peak 1618 weight 0.10000E+01 volume 0.46899E+01 ppm1 1.296 ppm2 1.163
OR { 1618}
(( segid PTB and resid 139 and name HG12))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
OR { 1618}
(( segid PTB and resid 168 and name HG21)
OR
( segid PTB and resid 168 and name HG23)
OR
( segid PTB and resid 168 and name HG22))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
OR { 1618}
(( segid PTB and resid 88 and name HB2 ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
ASSI { 1647}
(( segid PTB and resid 122 and name HB2 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.800 1.600 1.600 peak 1647 weight 0.10000E+01 volume 0.18296E+01 ppm1 2.982 ppm2 0.897
OR { 1647}
(( segid PTB and resid 122 and name HB1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1647}
(( segid PTB and resid 107 and name HE1 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
OR { 1647}
(( segid PTB and resid 132 and name HB1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1647}
(( segid PTB and resid 136 and name HE1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1647}
(( segid PTB and resid 136 and name HE2 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
ASSI { 1658}
(( segid PTB and resid 107 and name HD2 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
2.600 1.400 1.400 peak 1658 weight 0.10000E+01 volume 0.27225E+01 ppm1 1.603 ppm2 0.918
OR { 1658}
(( segid PTB and resid 114 and name HG1 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
OR { 1658}
(( segid PTB and resid 136 and name HD1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1658}
(( segid PTB and resid 114 and name HG2 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
OR { 1658}
(( segid PTB and resid 129 and name HG2 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
ASSI { 1714}
(( segid PTB and resid 118 and name HB1 ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
2.900 1.700 1.700 peak 1714 weight 0.10000E+01 volume 0.12887E+01 ppm1 1.789 ppm2 1.042
OR { 1714}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
OR { 1714}
(( segid PTB and resid 115 and name HB1 ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
OR { 1714}
(( segid PTB and resid 115 and name HB2 ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
ASSI { 1717}
(( segid PTB and resid 120 and name HB2 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.700 1.500 1.500 peak 1717 weight 0.10000E+01 volume 0.22960E+01 ppm1 1.538 ppm2 0.913
OR { 1717}
(( segid PTB and resid 120 and name HB1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1717}
(( segid PTB and resid 114 and name HG1 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
OR { 1717}
(( segid PTB and resid 136 and name HD1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
ASSI { 1722}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
2.800 1.600 1.600 peak 1722 weight 0.10000E+01 volume 0.16404E+01 ppm1 1.348 ppm2 0.917
OR { 1722}
(( segid PTB and resid 139 and name HG11))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1722}
(( segid PTB and resid 107 and name HG2 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
OR { 1722}
(( segid PTB and resid 139 and name HG12))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
OR { 1722}
(( segid PTB and resid 136 and name HG1 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
ASSI { 1755}
(( segid PTB and resid 175 and name HB1 ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.500 2.500 2.000 peak 1755 weight 0.10000E+01 volume 0.35208E+01 ppm1 1.782 ppm2 0.814
OR { 1755}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
OR { 1755}
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1756}
(( segid PTB and resid 95 and name HB1 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.300 1.100 1.100 peak 1756 weight 0.10000E+01 volume 0.51730E+01 ppm1 1.667 ppm2 0.821
OR { 1756}
(( segid PTB and resid 163 and name HB ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
OR { 1756}
(( segid PTB and resid 130 and name HB ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
ASSI { 1779}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.000 0.800 0.800 peak 1779 weight 0.10000E+01 volume 0.11762E+02 ppm1 1.334 ppm2 0.803
OR { 1779}
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
ASSI { 1781}
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
2.400 1.200 1.200 peak 1781 weight 0.10000E+01 volume 0.48472E+01 ppm1 1.093 ppm2 0.802
OR { 1781}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
OR { 1781}
(( segid PTB and resid 109 and name HB1 ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
ASSI { 1783}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
1.600 0.500 0.600 peak 1783 weight 0.10000E+01 volume 0.40767E+02 ppm1 0.920 ppm2 0.802
OR { 1783}
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
ASSI { 1823}
(( segid PTB and resid 96 and name HA ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.800 1.600 1.600 peak 1823 weight 0.10000E+01 volume 0.16228E+01 ppm1 2.990 ppm2 0.798
OR { 1823}
(( segid PTB and resid 132 and name HB1 ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
OR { 1823}
(( segid PTB and resid 136 and name HE1 ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
ASSI { 1862}
(( segid PTB and resid 114 and name HG1 ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.500 1.300 1.300 peak 1862 weight 0.10000E+01 volume 0.32033E+01 ppm1 1.605 ppm2 0.926
OR { 1862}
(( segid PTB and resid 90 and name HB1 ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
OR { 1862}
(( segid PTB and resid 114 and name HG2 ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
OR { 1862}
(( segid PTB and resid 90 and name HB2 ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
OR { 1862}
(( segid PTB and resid 173 and name HB2 ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
ASSI { 1873}
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
1.800 0.600 0.600 peak 1873 weight 0.10000E+01 volume 0.25710E+02 ppm1 0.800 ppm2 0.926
OR { 1873}
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
ASSI { 1874}
(( segid PTB and resid 109 and name HG ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.800 1.600 1.600 peak 1874 weight 0.10000E+01 volume 0.16915E+01 ppm1 0.714 ppm2 0.930
OR { 1874}
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
ASSI { 1908}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.500 1.300 1.300 peak 1908 weight 0.10000E+01 volume 0.34347E+01 ppm1 1.284 ppm2 0.696
OR { 1908}
(( segid PTB and resid 187 and name HG ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
ASSI { 1914}
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.400 1.200 1.200 peak 1914 weight 0.10000E+01 volume 0.41978E+01 ppm1 0.139 ppm2 0.702
OR { 1914}
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
ASSI { 2020}
(( segid PTB and resid 145 and name HA ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.500 1.300 1.300 peak 2020 weight 0.10000E+01 volume 0.31157E+01 ppm1 3.953 ppm2 1.182
OR { 2020}
(( segid PTB and resid 144 and name HA ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
ASSI { 2046}
(( segid PTB and resid 144 and name HG12))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.600 1.400 1.400 peak 2046 weight 0.10000E+01 volume 0.28547E+01 ppm1 1.377 ppm2 1.183
OR { 2046}
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
ASSI { 2102}
(( segid PTB and resid 180 and name HB2 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.700 1.500 1.500 peak 2102 weight 0.10000E+01 volume 0.19310E+01 ppm1 3.189 ppm2 1.614
OR { 2102}
(( segid PTB and resid 158 and name HD1 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
OR { 2102}
(( segid PTB and resid 177 and name HB1 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
ASSI { 2109}
(( segid PTB and resid 85 and name HB ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.800 1.600 1.600 peak 2109 weight 0.10000E+01 volume 0.17163E+01 ppm1 2.396 ppm2 1.615
OR { 2109}
(( segid PTB and resid 182 and name HB2 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
ASSI { 2181}
(( segid PTB and resid 181 and name HB1 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.600 1.400 1.400 peak 2181 weight 0.10000E+01 volume 0.26277E+01 ppm1 1.798 ppm2 1.627
OR { 2181}
(( segid PTB and resid 158 and name HB2 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
OR { 2181}
(( segid PTB and resid 158 and name HB1 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
OR { 2181}
(( segid PTB and resid 158 and name HG2 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
ASSI { 2211}
(( segid PTB and resid 101 and name HB ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.900 1.700 1.700 peak 2211 weight 0.10000E+01 volume 0.15206E+01 ppm1 1.958 ppm2 1.320
OR { 2211}
(( segid PTB and resid 91 and name HB ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
OR { 2211}
(( segid PTB and resid 103 and name HB1 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
OR { 2211}
(( segid PTB and resid 103 and name HB2 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
ASSI { 2212}
(( segid PTB and resid 106 and name HB1 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.800 1.600 1.600 peak 2212 weight 0.10000E+01 volume 0.15920E+01 ppm1 1.780 ppm2 1.343
OR { 2212}
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
ASSI { 2214}
(( segid PTB and resid 106 and name HB2 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.700 2.700 1.800 peak 2214 weight 0.10000E+01 volume 0.19088E+01 ppm1 1.528 ppm2 1.339
OR { 2214}
(( segid PTB and resid 106 and name HG ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
OR { 2214}
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
OR { 2214}
(( segid PTB and resid 90 and name HB1 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
ASSI { 2221}
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.800 1.600 1.600 peak 2221 weight 0.10000E+01 volume 0.16695E+01 ppm1 0.697 ppm2 1.338
OR { 2221}
(( segid PTB and resid 109 and name HG ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
ASSI { 2242}
(( segid PTB and resid 163 and name HB ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.800 1.600 1.600 peak 2242 weight 0.10000E+01 volume 0.15771E+01 ppm1 1.731 ppm2 0.702
OR { 2242}
(( segid PTB and resid 92 and name HB2 ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
OR { 2242}
(( segid PTB and resid 92 and name HB1 ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
ASSI { 2250}
(( segid PTB and resid 77 and name HA ))
(( segid PTB and resid 76 and name HA ))
3.000 1.800 1.800 peak 2250 weight 0.10000E+01 volume 0.12158E+01 ppm1 3.864 ppm2 3.704
OR { 2250}
(( segid PTB and resid 78 and name HB1 ))
(( segid PTB and resid 76 and name HA ))
ASSI { 2251}
(( segid PTB and resid 102 and name HB1 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.900 1.700 1.700 peak 2251 weight 0.10000E+01 volume 0.13606E+01 ppm1 3.127 ppm2 1.012
OR { 2251}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
ASSI { 2256}
(( segid PTB and resid 175 and name HB2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.700 1.500 1.500 peak 2256 weight 0.10000E+01 volume 0.22395E+01 ppm1 2.644 ppm2 0.992
OR { 2256}
(( segid PTB and resid 162 and name HB1 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
OR { 2256}
(( segid PTB and resid 172 and name HB2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
ASSI { 2260}
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
3.000 1.800 1.800 peak 2260 weight 0.10000E+01 volume 0.12082E+01 ppm1 1.553 ppm2 0.988
OR { 2260}
(( segid PTB and resid 90 and name HB1 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
ASSI { 2293}
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
(( segid PTB and resid 197 and name HA ))
2.000 0.800 0.800 peak 2293 weight 0.10000E+01 volume 0.14688E+02 ppm1 1.027 ppm2 3.648
OR { 2293}
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
(( segid PTB and resid 108 and name HA ))
ASSI { 2309}
(( segid PTB and resid 109 and name HA ))
(( segid PTB and resid 108 and name HA ))
3.100 1.900 1.900 peak 2309 weight 0.10000E+01 volume 0.90000E+00 ppm1 3.862 ppm2 3.626
OR { 2309}
(( segid PTB and resid 107 and name HA ))
(( segid PTB and resid 108 and name HA ))
OR { 2309}
(( segid PTB and resid 77 and name HA ))
(( segid PTB and resid 197 and name HA ))
ASSI { 2316}
(( segid PTB and resid 108 and name HB ))
(( segid PTB and resid 108 and name HA ))
2.400 1.200 1.200 peak 2316 weight 0.10000E+01 volume 0.41514E+01 ppm1 2.285 ppm2 3.665
OR { 2316}
(( segid PTB and resid 111 and name HB1 ))
(( segid PTB and resid 108 and name HA ))
ASSI { 2317}
(( segid PTB and resid 70 and name HB2 ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
2.700 1.500 1.500 peak 2317 weight 0.10000E+01 volume 0.21767E+01 ppm1 2.114 ppm2 1.512
OR { 2317}
(( segid PTB and resid 74 and name HB2 ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
OR { 2317}
(( segid PTB and resid 74 and name HB1 ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
ASSI { 2375}
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.700 1.500 1.500 peak 2375 weight 0.10000E+01 volume 0.20161E+01 ppm1 0.152 ppm2 0.950
OR { 2375}
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
ASSI { 2458}
(( segid PTB and resid 100 and name HB1 ))
(( segid PTB and resid 101 and name HA ))
2.700 1.500 1.500 peak 2458 weight 0.10000E+01 volume 0.20865E+01 ppm1 2.107 ppm2 3.618
OR { 2458}
(( segid PTB and resid 104 and name HB2 ))
(( segid PTB and resid 101 and name HA ))
OR { 2458}
(( segid PTB and resid 104 and name HB1 ))
(( segid PTB and resid 101 and name HA ))
ASSI { 2472}
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.500 1.300 1.300 peak 2472 weight 0.10000E+01 volume 0.30748E+01 ppm1 0.300 ppm2 1.276
OR { 2472}
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
ASSI { 2568}
(( segid PTB and resid 102 and name HB1 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.800 1.600 1.600 peak 2568 weight 0.10000E+01 volume 0.17276E+01 ppm1 3.137 ppm2 2.213
OR { 2568}
(( segid PTB and resid 154 and name HD1 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
ASSI { 2587}
(( segid GPPY and resid 5 and name HG2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.400 1.200 1.200 peak 2587 weight 0.10000E+01 volume 0.38892E+01 ppm1 1.813 ppm2 2.214
OR { 2587}
(( segid PTB and resid 154 and name HG2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
OR { 2587}
(( segid PTB and resid 154 and name HB1 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
OR { 2587}
(( segid PTB and resid 154 and name HB2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
ASSI { 2606}
(( segid PTB and resid 78 and name HA ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
2.800 1.600 1.600 peak 2606 weight 0.10000E+01 volume 0.17390E+01 ppm1 4.537 ppm2 1.540
OR { 2606}
(( segid PTB and resid 80 and name HA ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
ASSI { 2622}
(( segid PTB and resid 173 and name HB2 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.400 1.200 1.200 peak 2622 weight 0.10000E+01 volume 0.45863E+01 ppm1 1.678 ppm2 1.784
OR { 2622}
(( segid PTB and resid 90 and name HB2 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
OR { 2622}
(( segid PTB and resid 92 and name HB1 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
ASSI { 2630}
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
2.700 1.500 1.500 peak 2630 weight 0.10000E+01 volume 0.23470E+01 ppm1 1.082 ppm2 1.549
OR { 2630}
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
ASSI { 2668}
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.900 1.700 1.700 peak 2668 weight 0.10000E+01 volume 0.13673E+01 ppm1 0.805 ppm2 1.785
OR { 2668}
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
ASSI { 2719}
(( segid PTB and resid 113 and name HA ))
(( segid PTB and resid 112 and name HB2 ))
2.800 1.600 1.600 peak 2719 weight 0.10000E+01 volume 0.18743E+01 ppm1 4.235 ppm2 3.941
OR { 2719}
(( segid PTB and resid 114 and name HA ))
(( segid PTB and resid 112 and name HB2 ))
ASSI { 2744}
(( segid PTB and resid 114 and name HG1 ))
(( segid PTB and resid 112 and name HB1 ))
2.900 1.700 1.700 peak 2744 weight 0.10000E+01 volume 0.12631E+01 ppm1 1.590 ppm2 4.042
OR { 2744}
(( segid PTB and resid 114 and name HG2 ))
(( segid PTB and resid 112 and name HB1 ))
OR { 2744}
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
(( segid PTB and resid 188 and name HB1 ))
OR { 2744}
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
(( segid PTB and resid 188 and name HB2 ))
ASSI { 2787}
(( segid PTB and resid 106 and name HB1 ))
(( segid PTB and resid 102 and name HA ))
2.700 2.700 1.800 peak 2787 weight 0.10000E+01 volume 0.19660E+01 ppm1 1.720 ppm2 4.227
OR { 2787}
(( segid PTB and resid 163 and name HG11))
(( segid PTB and resid 102 and name HA ))
OR { 2787}
(( segid PTB and resid 163 and name HB ))
(( segid PTB and resid 102 and name HA ))
ASSI { 2799}
(( segid PTB and resid 65 and name HA ))
(( segid PTB and resid 66 and name HA ))
2.400 2.400 2.100 peak 2799 weight 0.10000E+01 volume 0.38758E+01 ppm1 4.394 ppm2 4.223
OR { 2799}
(( segid PTB and resid 67 and name HA ))
(( segid PTB and resid 66 and name HA ))
ASSI { 2806}
(( segid PTB and resid 66 and name HD2 ))
(( segid PTB and resid 66 and name HA ))
2.700 1.500 1.500 peak 2806 weight 0.10000E+01 volume 0.23339E+01 ppm1 3.614 ppm2 4.223
OR { 2806}
(( segid PTB and resid 66 and name HD1 ))
(( segid PTB and resid 66 and name HA ))
OR { 2806}
(( segid PTB and resid 161 and name HB1 ))
(( segid PTB and resid 102 and name HA ))
OR { 2806}
(( segid PTB and resid 161 and name HB2 ))
(( segid PTB and resid 102 and name HA ))
ASSI { 2820}
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
(( segid PTB and resid 102 and name HA ))
2.800 2.800 1.700 peak 2820 weight 0.10000E+01 volume 0.15605E+01 ppm1 0.868 ppm2 4.174
OR { 2820}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 102 and name HA ))
OR { 2820}
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
(( segid PTB and resid 102 and name HA ))
OR { 2820}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 102 and name HA ))
ASSI { 2821}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 102 and name HA ))
2.600 1.400 1.400 peak 2821 weight 0.10000E+01 volume 0.25725E+01 ppm1 0.828 ppm2 4.200
OR { 2821}
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
(( segid PTB and resid 102 and name HA ))
OR { 2821}
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
(( segid PTB and resid 102 and name HA ))
ASSI { 3079}
(( segid PTB and resid 96 and name HA ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
3.000 1.800 1.800 peak 3079 weight 0.10000E+01 volume 0.12237E+01 ppm1 3.012 ppm2 0.634
OR { 3079}
(( segid PTB and resid 102 and name HB2 ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
ASSI { 3090}
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
(( segid PTB and resid 140 and name HA ))
2.800 1.600 1.600 peak 3090 weight 0.10000E+01 volume 0.16702E+01 ppm1 0.897 ppm2 4.077
OR { 3090}
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
(( segid PTB and resid 140 and name HA ))
ASSI { 3106}
(( segid PTB and resid 138 and name HB2 ))
(( segid PTB and resid 139 and name HA ))
2.700 1.500 1.500 peak 3106 weight 0.10000E+01 volume 0.20972E+01 ppm1 1.716 ppm2 4.296
OR { 3106}
(( segid PTB and resid 118 and name HG1 ))
(( segid PTB and resid 117 and name HA ))
OR { 3106}
(( segid PTB and resid 129 and name HB1 ))
(( segid PTB and resid 123 and name HA ))
OR { 3106}
(( segid PTB and resid 118 and name HG2 ))
(( segid PTB and resid 117 and name HA ))
OR { 3106}
(( segid PTB and resid 130 and name HB ))
(( segid PTB and resid 139 and name HA ))
OR { 3106}
(( segid PTB and resid 115 and name HG1 ))
(( segid PTB and resid 117 and name HA ))
OR { 3106}
(( segid PTB and resid 115 and name HG2 ))
(( segid PTB and resid 117 and name HA ))
ASSI { 3111}
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
(( segid PTB and resid 139 and name HA ))
2.200 1.000 1.000 peak 3111 weight 0.10000E+01 volume 0.82847E+01 ppm1 0.869 ppm2 4.286
OR { 3111}
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
(( segid PTB and resid 139 and name HA ))
OR { 3111}
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
(( segid PTB and resid 117 and name HA ))
OR { 3111}
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
(( segid PTB and resid 139 and name HA ))
OR { 3111}
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
(( segid PTB and resid 123 and name HA ))
ASSI { 3219}
(( segid PTB and resid 192 and name HA1 ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
2.900 1.700 1.700 peak 3219 weight 0.10000E+01 volume 0.13465E+01 ppm1 1.895 ppm2 0.880
OR { 3219}
(( segid PTB and resid 131 and name HB ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
OR { 3219}
(( segid PTB and resid 121 and name HB1 ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
OR { 3219}
(( segid GPPY and resid 3 and name HB ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
ASSI { 3254}
(( segid PTB and resid 140 and name HB ))
(( segid PTB and resid 130 and name HA ))
2.900 1.700 1.700 peak 3254 weight 0.10000E+01 volume 0.13030E+01 ppm1 1.579 ppm2 5.386
OR { 3254}
(( segid PTB and resid 120 and name HB2 ))
(( segid PTB and resid 130 and name HA ))
OR { 3254}
(( segid PTB and resid 128 and name HB2 ))
(( segid PTB and resid 130 and name HA ))
OR { 3254}
(( segid PTB and resid 120 and name HB1 ))
(( segid PTB and resid 130 and name HA ))
OR { 3254}
(( segid PTB and resid 129 and name HG2 ))
(( segid PTB and resid 130 and name HA ))
ASSI { 3300}
(( segid PTB and resid 108 and name HA ))
(( segid PTB and resid 107 and name HA ))
3.100 1.900 1.900 peak 3300 weight 0.10000E+01 volume 0.90000E+00 ppm1 3.658 ppm2 3.887
OR { 3300}
(( segid PTB and resid 197 and name HA ))
(( segid PTB and resid 77 and name HA ))
OR { 3300}
(( segid PTB and resid 125 and name HA1 ))
(( segid PTB and resid 77 and name HA ))
ASSI { 3302}
(( segid PTB and resid 77 and name HD2 ))
(( segid PTB and resid 77 and name HA ))
2.700 1.500 1.500 peak 3302 weight 0.10000E+01 volume 0.22004E+01 ppm1 3.063 ppm2 3.879
OR { 3302}
(( segid PTB and resid 77 and name HD1 ))
(( segid PTB and resid 77 and name HA ))
OR { 3302}
(( segid PTB and resid 110 and name HD1 ))
(( segid PTB and resid 107 and name HA ))
OR { 3302}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 73 and name HA ))
OR { 3302}
(( segid PTB and resid 110 and name HD2 ))
(( segid PTB and resid 107 and name HA ))
ASSI { 3313}
(( segid PTB and resid 76 and name HB ))
(( segid PTB and resid 73 and name HA ))
2.600 1.400 1.400 peak 3313 weight 0.10000E+01 volume 0.28324E+01 ppm1 2.125 ppm2 3.883
OR { 3313}
(( segid PTB and resid 76 and name HB ))
(( segid PTB and resid 77 and name HA ))
OR { 3313}
(( segid PTB and resid 197 and name HB ))
(( segid PTB and resid 77 and name HA ))
OR { 3313}
(( segid PTB and resid 74 and name HB2 ))
(( segid PTB and resid 73 and name HA ))
ASSI { 3321}
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
(( segid PTB and resid 85 and name HA ))
2.700 1.500 1.500 peak 3321 weight 0.10000E+01 volume 0.19276E+01 ppm1 1.620 ppm2 5.461
OR { 3321}
(( segid PTB and resid 173 and name HB1 ))
(( segid PTB and resid 163 and name HA ))
OR { 3321}
(( segid PTB and resid 173 and name HB2 ))
(( segid PTB and resid 163 and name HA ))
OR { 3321}
(( segid PTB and resid 86 and name HD2 ))
(( segid PTB and resid 85 and name HA ))
ASSI { 3398}
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
(( segid PTB and resid 131 and name HA ))
2.200 1.000 1.000 peak 3398 weight 0.10000E+01 volume 0.77146E+01 ppm1 0.901 ppm2 4.870
OR { 3398}
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
(( segid PTB and resid 131 and name HA ))
ASSI { 3417}
(( segid PTB and resid 102 and name HA ))
(( segid PTB and resid 103 and name HA ))
3.100 1.900 1.900 peak 3417 weight 0.10000E+01 volume 0.90000E+00 ppm1 4.172 ppm2 3.909
OR { 3417}
(( segid PTB and resid 100 and name HA ))
(( segid PTB and resid 103 and name HA ))
ASSI { 3457}
(( segid PTB and resid 156 and name HA ))
(( segid PTB and resid 157 and name HA ))
2.700 1.500 1.500 peak 3457 weight 0.10000E+01 volume 0.19495E+01 ppm1 4.598 ppm2 4.435
OR { 3457}
(( segid PTB and resid 183 and name HA ))
(( segid PTB and resid 157 and name HA ))
ASSI { 3469}
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
(( segid PTB and resid 187 and name HA ))
2.900 1.700 1.700 peak 3469 weight 0.10000E+01 volume 0.12668E+01 ppm1 0.695 ppm2 2.706
OR { 3469}
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
(( segid PTB and resid 187 and name HA ))
ASSI { 3522}
(( segid PTB and resid 110 and name HD2 ))
(( segid PTB and resid 110 and name HA ))
2.700 1.500 1.500 peak 3522 weight 0.10000E+01 volume 0.21277E+01 ppm1 3.101 ppm2 4.009
OR { 3522}
(( segid PTB and resid 77 and name HD1 ))
(( segid PTB and resid 74 and name HA ))
OR { 3522}
(( segid PTB and resid 77 and name HD2 ))
(( segid PTB and resid 74 and name HA ))
OR { 3522}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 189 and name HA ))
ASSI { 3523}
(( segid PTB and resid 110 and name HD1 ))
(( segid PTB and resid 110 and name HA ))
2.900 1.700 1.700 peak 3523 weight 0.10000E+01 volume 0.14421E+01 ppm1 3.063 ppm2 4.013
OR { 3523}
(( segid PTB and resid 110 and name HD2 ))
(( segid PTB and resid 110 and name HA ))
OR { 3523}
(( segid PTB and resid 77 and name HD1 ))
(( segid PTB and resid 74 and name HA ))
OR { 3523}
(( segid PTB and resid 77 and name HD2 ))
(( segid PTB and resid 74 and name HA ))
ASSI { 3532}
(( segid PTB and resid 110 and name HB2 ))
(( segid PTB and resid 110 and name HA ))
2.200 1.000 1.000 peak 3532 weight 0.10000E+01 volume 0.82334E+01 ppm1 1.913 ppm2 4.013
OR { 3532}
(( segid PTB and resid 110 and name HB1 ))
(( segid PTB and resid 110 and name HA ))
OR { 3532}
(( segid PTB and resid 107 and name HB1 ))
(( segid PTB and resid 104 and name HA ))
OR { 3532}
(( segid PTB and resid 77 and name HB2 ))
(( segid PTB and resid 74 and name HA ))
ASSI { 3534}
(( segid PTB and resid 107 and name HD2 ))
(( segid PTB and resid 104 and name HA ))
2.700 1.500 1.500 peak 3534 weight 0.10000E+01 volume 0.19245E+01 ppm1 1.583 ppm2 4.010
OR { 3534}
(( segid PTB and resid 114 and name HG1 ))
(( segid PTB and resid 110 and name HA ))
OR { 3534}
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
(( segid PTB and resid 74 and name HA ))
ASSI { 3535}
(( segid PTB and resid 77 and name HG2 ))
(( segid PTB and resid 74 and name HA ))
2.800 1.600 1.600 peak 3535 weight 0.10000E+01 volume 0.17528E+01 ppm1 1.554 ppm2 4.017
OR { 3535}
(( segid PTB and resid 77 and name HG1 ))
(( segid PTB and resid 74 and name HA ))
OR { 3535}
(( segid PTB and resid 106 and name HB2 ))
(( segid PTB and resid 104 and name HA ))
OR { 3535}
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
(( segid PTB and resid 74 and name HA ))
ASSI { 3537}
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
(( segid PTB and resid 74 and name HA ))
2.900 1.700 1.700 peak 3537 weight 0.10000E+01 volume 0.12963E+01 ppm1 1.372 ppm2 4.020
OR { 3537}
(( segid PTB and resid 107 and name HG1 ))
(( segid PTB and resid 104 and name HA ))
OR { 3537}
(( segid PTB and resid 88 and name HB2 ))
(( segid PTB and resid 110 and name HA ))
OR { 3537}
(( segid PTB and resid 88 and name HB1 ))
(( segid PTB and resid 110 and name HA ))
OR { 3537}
(( segid PTB and resid 107 and name HG2 ))
(( segid PTB and resid 104 and name HA ))
ASSI { 3559}
(( segid PTB and resid 201 and name HB1 ))
(( segid PTB and resid 201 and name HA ))
2.100 0.900 0.900 peak 3559 weight 0.10000E+01 volume 0.90646E+01 ppm1 2.029 ppm2 4.149
OR { 3559}
(( segid PTB and resid 202 and name HB1 ))
(( segid PTB and resid 202 and name HA ))
OR { 3559}
(( segid PTB and resid 202 and name HB2 ))
(( segid PTB and resid 202 and name HA ))
OR { 3559}
(( segid PTB and resid 201 and name HB2 ))
(( segid PTB and resid 201 and name HA ))
OR { 3559}
(( segid PTB and resid 100 and name HB1 ))
(( segid PTB and resid 100 and name HA ))
ASSI { 3691}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 106 and name HA ))
2.900 1.700 1.700 peak 3691 weight 0.10000E+01 volume 0.12491E+01 ppm1 1.332 ppm2 3.807
OR { 3691}
(( segid PTB and resid 88 and name HB1 ))
(( segid PTB and resid 106 and name HA ))
ASSI { 3741}
(( segid PTB and resid 112 and name HB1 ))
(( segid PTB and resid 109 and name HA ))
2.900 1.700 1.700 peak 3741 weight 0.10000E+01 volume 0.14434E+01 ppm1 4.052 ppm2 3.838
OR { 3741}
(( segid PTB and resid 110 and name HA ))
(( segid PTB and resid 109 and name HA ))
OR { 3741}
(( segid PTB and resid 105 and name HA ))
(( segid PTB and resid 106 and name HA ))
ASSI { 3742}
(( segid PTB and resid 112 and name HB2 ))
(( segid PTB and resid 109 and name HA ))
2.700 1.500 1.500 peak 3742 weight 0.10000E+01 volume 0.23393E+01 ppm1 3.957 ppm2 3.847
OR { 3742}
(( segid PTB and resid 110 and name HA ))
(( segid PTB and resid 109 and name HA ))
ASSI { 3753}
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
(( segid PTB and resid 109 and name HA ))
2.900 1.700 1.700 peak 3753 weight 0.10000E+01 volume 0.13792E+01 ppm1 0.933 ppm2 3.856
OR { 3753}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 109 and name HA ))
ASSI { 3834}
(( segid PTB and resid 199 and name HB2 ))
(( segid PTB and resid 203 and name HA ))
2.900 1.700 1.700 peak 3834 weight 0.10000E+01 volume 0.13046E+01 ppm1 1.626 ppm2 4.215
OR { 3834}
(( segid PTB and resid 199 and name HB1 ))
(( segid PTB and resid 203 and name HA ))
OR { 3834}
(( segid PTB and resid 199 and name HB2 ))
(( segid PTB and resid 204 and name HA ))
OR { 3834}
(( segid PTB and resid 199 and name HB1 ))
(( segid PTB and resid 204 and name HA ))
ASSI { 3864}
(( segid PTB and resid 201 and name HB2 ))
(( segid PTB and resid 203 and name HA ))
2.300 2.300 2.200 peak 3864 weight 0.10000E+01 volume 0.54576E+01 ppm1 2.010 ppm2 4.224
OR { 3864}
(( segid PTB and resid 202 and name HB1 ))
(( segid PTB and resid 203 and name HA ))
OR { 3864}
(( segid PTB and resid 202 and name HB2 ))
(( segid PTB and resid 203 and name HA ))
OR { 3864}
(( segid PTB and resid 201 and name HB1 ))
(( segid PTB and resid 203 and name HA ))
ASSI { 3897}
(( segid PTB and resid 66 and name HB1 ))
(( segid PTB and resid 67 and name HA ))
2.900 1.700 1.700 peak 3897 weight 0.10000E+01 volume 0.13828E+01 ppm1 2.159 ppm2 4.392
OR { 3897}
(( segid PTB and resid 70 and name HB1 ))
(( segid PTB and resid 67 and name HA ))
ASSI { 3903}
(( segid PTB and resid 173 and name HB2 ))
(( segid PTB and resid 92 and name HA ))
2.800 1.600 1.600 peak 3903 weight 0.10000E+01 volume 0.17339E+01 ppm1 1.656 ppm2 5.022
OR { 3903}
(( segid PTB and resid 173 and name HB1 ))
(( segid PTB and resid 92 and name HA ))
OR { 3903}
(( segid PTB and resid 171 and name HB2 ))
(( segid PTB and resid 92 and name HA ))
OR { 3903}
(( segid PTB and resid 171 and name HB1 ))
(( segid PTB and resid 92 and name HA ))
ASSI { 3904}
(( segid PTB and resid 209 and name HB1 )
OR
( segid PTB and resid 209 and name HB3 )
OR
( segid PTB and resid 209 and name HB2 ))
(( segid PTB and resid 205 and name HA ))
3.000 1.800 1.800 peak 3904 weight 0.10000E+01 volume 0.12364E+01 ppm1 1.433 ppm2 4.371
OR { 3904}
(( segid PTB and resid 208 and name HB1 )
OR
( segid PTB and resid 208 and name HB3 )
OR
( segid PTB and resid 208 and name HB2 ))
(( segid PTB and resid 205 and name HA ))
OR { 3904}
(( segid GPPY and resid 7 and name HB1 ))
(( segid PTB and resid 205 and name HA ))
ASSI { 3936}
(( segid PTB and resid 182 and name HB2 ))
(( segid PTB and resid 183 and name HA ))
2.800 1.600 1.600 peak 3936 weight 0.10000E+01 volume 0.16192E+01 ppm1 2.397 ppm2 4.600
OR { 3936}
(( segid PTB and resid 157 and name HG1 ))
(( segid PTB and resid 156 and name HA ))
OR { 3936}
(( segid PTB and resid 157 and name HG2 ))
(( segid PTB and resid 156 and name HA ))
ASSI { 3940}
(( segid PTB and resid 158 and name HB2 ))
(( segid PTB and resid 183 and name HA ))
2.700 1.500 1.500 peak 3940 weight 0.10000E+01 volume 0.19183E+01 ppm1 1.815 ppm2 4.602
OR { 3940}
(( segid PTB and resid 158 and name HG2 ))
(( segid PTB and resid 183 and name HA ))
OR { 3940}
(( segid PTB and resid 158 and name HG1 ))
(( segid PTB and resid 183 and name HA ))
OR { 3940}
(( segid PTB and resid 158 and name HB1 ))
(( segid PTB and resid 183 and name HA ))
OR { 3940}
(( segid PTB and resid 181 and name HB1 ))
(( segid PTB and resid 183 and name HA ))
ASSI { 3983}
(( segid PTB and resid 91 and name HA ))
(( segid PTB and resid 92 and name HA ))
2.600 1.400 1.400 peak 3983 weight 0.10000E+01 volume 0.26716E+01 ppm1 4.413 ppm2 5.063
OR { 3983}
(( segid PTB and resid 93 and name HA ))
(( segid PTB and resid 92 and name HA ))
ASSI { 4017}
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
(( segid PTB and resid 82 and name HA ))
2.900 1.700 1.700 peak 4017 weight 0.10000E+01 volume 0.13429E+01 ppm1 0.855 ppm2 5.458
OR { 4017}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 177 and name HA ))
OR { 4017}
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
(( segid PTB and resid 177 and name HA ))
OR { 4017}
(( segid PTB and resid 120 and name HG ))
(( segid PTB and resid 82 and name HA ))
ASSI { 4097}
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
(( segid PTB and resid 87 and name HA ))
2.800 1.600 1.600 peak 4097 weight 0.10000E+01 volume 0.15440E+01 ppm1 0.624 ppm2 4.796
OR { 4097}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 87 and name HA ))
ASSI { 4169}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 190 and name HA ))
2.800 1.600 1.600 peak 4169 weight 0.10000E+01 volume 0.15291E+01 ppm1 3.090 ppm2 3.555
OR { 4169}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 194 and name HA ))
ASSI { 4206}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 190 and name HA ))
2.900 1.700 1.700 peak 4206 weight 0.10000E+01 volume 0.12562E+01 ppm1 3.048 ppm2 3.552
OR { 4206}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 194 and name HA ))
OR { 4206}
(( segid PTB and resid 72 and name HB1 ))
(( segid PTB and resid 190 and name HA ))
ASSI { 4214}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 194 and name HA ))
2.300 1.100 1.100 peak 4214 weight 0.10000E+01 volume 0.58195E+01 ppm1 1.022 ppm2 3.590
OR { 4214}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 190 and name HA ))
ASSI { 4263}
(( segid PTB and resid 86 and name HD1 ))
(( segid PTB and resid 86 and name HA ))
2.600 1.400 1.400 peak 4263 weight 0.10000E+01 volume 0.24356E+01 ppm1 1.653 ppm2 4.969
OR { 4263}
(( segid PTB and resid 86 and name HD2 ))
(( segid PTB and resid 86 and name HA ))
OR { 4263}
(( segid PTB and resid 129 and name HB1 ))
(( segid PTB and resid 122 and name HA ))
OR { 4263}
(( segid PTB and resid 86 and name HD1 ))
(( segid PTB and resid 118 and name HA ))
ASSI { 4265}
(( segid PTB and resid 86 and name HD1 ))
(( segid PTB and resid 86 and name HA ))
2.700 1.500 1.500 peak 4265 weight 0.10000E+01 volume 0.19839E+01 ppm1 1.626 ppm2 4.998
OR { 4265}
(( segid PTB and resid 86 and name HD2 ))
(( segid PTB and resid 86 and name HA ))
OR { 4265}
(( segid PTB and resid 116 and name HB2 ))
(( segid PTB and resid 86 and name HA ))
OR { 4265}
(( segid PTB and resid 129 and name HB1 ))
(( segid PTB and resid 122 and name HA ))
OR { 4265}
(( segid PTB and resid 86 and name HD1 ))
(( segid PTB and resid 118 and name HA ))
OR { 4265}
(( segid PTB and resid 116 and name HB2 ))
(( segid PTB and resid 118 and name HA ))
ASSI { 4356}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
2.900 1.700 1.700 peak 4356 weight 0.10000E+01 volume 0.13393E+01 ppm1 9.103 ppm2 0.846
OR { 4356}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
ASSI { 4357}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
2.800 1.600 1.600 peak 4357 weight 0.10000E+01 volume 0.16943E+01 ppm1 8.852 ppm2 0.861
OR { 4357}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
OR { 4357}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
OR { 4357}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 4365}
(( segid PTB and resid 141 and name HA ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
2.500 1.300 1.300 peak 4365 weight 0.10000E+01 volume 0.30830E+01 ppm1 4.958 ppm2 0.847
OR { 4365}
(( segid PTB and resid 176 and name HA1 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 4370}
(( segid PTB and resid 120 and name HA ))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
2.800 1.600 1.600 peak 4370 weight 0.10000E+01 volume 0.16671E+01 ppm1 5.225 ppm2 0.852
OR { 4370}
(( segid PTB and resid 152 and name HA ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 4393}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 181 and name HG1 ))
2.700 1.500 1.500 peak 4393 weight 0.10000E+01 volume 0.20634E+01 ppm1 7.079 ppm2 1.383
OR { 4393}
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
OR { 4393}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 181 and name HG2 ))
ASSI { 4396}
(( segid PTB and resid 162 and name HD1 )
OR
( segid PTB and resid 162 and name HD2 ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
2.900 1.700 1.700 peak 4396 weight 0.10000E+01 volume 0.14666E+01 ppm1 6.948 ppm2 1.383
OR { 4396}
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
(( segid PTB and resid 181 and name HG1 ))
OR { 4396}
(( segid PTB and resid 149 and name HE1 )
OR
( segid PTB and resid 149 and name HE2 ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
OR { 4396}
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
(( segid PTB and resid 181 and name HG2 ))
ASSI { 4405}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
2.400 1.200 1.200 peak 4405 weight 0.10000E+01 volume 0.39057E+01 ppm1 9.191 ppm2 0.756
OR { 4405}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
ASSI { 4422}
(( segid PTB and resid 162 and name HD1 )
OR
( segid PTB and resid 162 and name HD2 ))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
2.800 1.600 1.600 peak 4422 weight 0.10000E+01 volume 0.16859E+01 ppm1 6.942 ppm2 0.928
OR { 4422}
(( segid PTB and resid 149 and name HE1 )
OR
( segid PTB and resid 149 and name HE2 ))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
OR { 4422}
(( segid PTB and resid 149 and name HE1 )
OR
( segid PTB and resid 149 and name HE2 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
ASSI { 4424}
(( segid PTB and resid 130 and name HA ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.600 1.400 1.400 peak 4424 weight 0.10000E+01 volume 0.24051E+01 ppm1 5.350 ppm2 0.652
OR { 4424}
(( segid PTB and resid 128 and name HA ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 4428}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
2.900 1.700 1.700 peak 4428 weight 0.10000E+01 volume 0.14737E+01 ppm1 8.838 ppm2 0.586
OR { 4428}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 4429}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.800 1.600 1.600 peak 4429 weight 0.10000E+01 volume 0.17090E+01 ppm1 8.585 ppm2 0.650
OR { 4429}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 4440}
(( segid PTB and resid 86 and name HA ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.900 1.700 1.700 peak 4440 weight 0.10000E+01 volume 0.14626E+01 ppm1 5.002 ppm2 0.951
OR { 4440}
(( segid PTB and resid 178 and name HA ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
OR { 4440}
(( segid PTB and resid 84 and name HA ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
ASSI { 4444}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.900 1.700 1.700 peak 4444 weight 0.10000E+01 volume 0.13426E+01 ppm1 9.092 ppm2 0.952
OR { 4444}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
ASSI { 4451}
(( segid PTB and resid 87 and name HE1 )
OR
( segid PTB and resid 87 and name HE2 ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
2.900 1.700 1.700 peak 4451 weight 0.10000E+01 volume 0.13078E+01 ppm1 6.622 ppm2 0.901
OR { 4451}
(( segid PTB and resid 162 and name HE1 )
OR
( segid PTB and resid 162 and name HE2 ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
ASSI { 4452}
(( segid PTB and resid 130 and name HA ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
2.500 1.300 1.300 peak 4452 weight 0.10000E+01 volume 0.31297E+01 ppm1 5.362 ppm2 0.903
OR { 4452}
(( segid PTB and resid 129 and name HA ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
ASSI { 4453}
(( segid PTB and resid 121 and name HA ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
2.800 1.600 1.600 peak 4453 weight 0.10000E+01 volume 0.18446E+01 ppm1 5.134 ppm2 0.893
OR { 4453}
(( segid PTB and resid 121 and name HA ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
ASSI { 4491}
(( segid PTB and resid 129 and name HA ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.800 1.600 1.600 peak 4491 weight 0.10000E+01 volume 0.16049E+01 ppm1 5.331 ppm2 0.818
OR { 4491}
(( segid PTB and resid 128 and name HA ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
ASSI { 4505}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
2.900 1.700 1.700 peak 4505 weight 0.10000E+01 volume 0.12838E+01 ppm1 8.874 ppm2 0.654
OR { 4505}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
ASSI { 4582}
(( segid PTB and resid 84 and name HA ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.800 1.600 1.600 peak 4582 weight 0.10000E+01 volume 0.16579E+01 ppm1 4.968 ppm2 0.945
OR { 4582}
(( segid PTB and resid 86 and name HA ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
ASSI { 4610}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.700 1.500 1.500 peak 4610 weight 0.10000E+01 volume 0.21047E+01 ppm1 8.383 ppm2 1.783
OR { 4610}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
ASSI { 4969}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 102 and name HA ))
2.900 1.700 1.700 peak 4969 weight 0.10000E+01 volume 0.13407E+01 ppm1 8.543 ppm2 4.194
OR { 4969}
(( segid PTB and resid 69 and name HN ))
(( segid PTB and resid 66 and name HA ))
ASSI { 4988}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 143 and name HA ))
3.000 1.800 1.800 peak 4988 weight 0.10000E+01 volume 0.12295E+01 ppm1 8.592 ppm2 4.636
OR { 4988}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 143 and name HA ))
ASSI { 5010}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 85 and name HA ))
2.600 1.400 1.400 peak 5010 weight 0.10000E+01 volume 0.26543E+01 ppm1 9.184 ppm2 5.465
OR { 5010}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 163 and name HA ))
OR { 5010}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 85 and name HA ))
ASSI { 5124}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 82 and name HA ))
3.100 1.900 1.900 peak 5124 weight 0.10000E+01 volume 0.89560E+00 ppm1 8.366 ppm2 5.477
OR { 5124}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 177 and name HA ))
ASSI { 5134}
(( segid PTB and resid 190 and name HA ))
(( segid PTB and resid 193 and name HB2 ))
3.300 2.200 2.200 peak 5134 weight 0.10000E+01 volume 0.64300E+00 ppm1 3.574 ppm2 2.545
OR { 5134}
(( segid PTB and resid 194 and name HA ))
(( segid PTB and resid 193 and name HB2 ))
ASSI { 5146}
(( segid PTB and resid 99 and name HB2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
3.000 1.800 1.800 peak 5146 weight 0.10000E+01 volume 0.11752E+01 ppm1 2.125 ppm2 1.571
OR { 5146}
(( segid GPPY and resid 5 and name HG1 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
OR { 5146}
(( segid PTB and resid 99 and name HB1 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
ASSI { 5154}
(( segid PTB and resid 133 and name HA ))
(( segid PTB and resid 136 and name HA ))
3.100 1.900 1.900 peak 5154 weight 0.10000E+01 volume 0.10099E+01 ppm1 4.505 ppm2 4.100
OR { 5154}
(( segid PTB and resid 132 and name HA ))
(( segid PTB and resid 136 and name HA ))
ASSI { 5167}
(( segid PTB and resid 144 and name HA ))
(( segid PTB and resid 149 and name HA ))
3.200 2.000 2.000 peak 5167 weight 0.10000E+01 volume 0.75430E+00 ppm1 3.910 ppm2 5.576
OR { 5167}
(( segid PTB and resid 145 and name HA ))
(( segid PTB and resid 149 and name HA ))
ASSI { 5171}
(( segid PTB and resid 82 and name HA ))
(( segid PTB and resid 123 and name HA ))
3.100 1.900 1.900 peak 5171 weight 0.10000E+01 volume 0.89660E+00 ppm1 5.401 ppm2 4.295
OR { 5171}
(( segid PTB and resid 130 and name HA ))
(( segid PTB and resid 123 and name HA ))
ASSI { 5173}
(( segid PTB and resid 118 and name HA ))
(( segid PTB and resid 117 and name HA ))
3.000 1.800 1.800 peak 5173 weight 0.10000E+01 volume 0.10335E+01 ppm1 4.975 ppm2 4.300
OR { 5173}
(( segid PTB and resid 122 and name HA ))
(( segid PTB and resid 123 and name HA ))
OR { 5173}
(( segid PTB and resid 86 and name HA ))
(( segid PTB and resid 117 and name HA ))
ASSI { 5175}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 123 and name HA ))
3.100 1.900 1.900 peak 5175 weight 0.10000E+01 volume 0.84620E+00 ppm1 8.578 ppm2 4.324
OR { 5175}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 123 and name HA ))
ASSI { 5194}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
3.100 1.900 1.900 peak 5194 weight 0.10000E+01 volume 0.95670E+00 ppm1 8.582 ppm2 0.883
OR { 5194}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
OR { 5194}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
ASSI { 5206}
(( segid PTB and resid 138 and name HG ))
(( segid PTB and resid 131 and name HA ))
3.300 2.200 2.200 peak 5206 weight 0.10000E+01 volume 0.68570E+00 ppm1 1.522 ppm2 4.883
OR { 5206}
(( segid PTB and resid 138 and name HB1 ))
(( segid PTB and resid 131 and name HA ))
OR { 5206}
(( segid PTB and resid 120 and name HB2 ))
(( segid PTB and resid 131 and name HA ))
ASSI { 5212}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 193 and name HA ))
3.100 1.900 1.900 peak 5212 weight 0.10000E+01 volume 0.98290E+00 ppm1 1.021 ppm2 3.997
OR { 5212}
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
(( segid PTB and resid 193 and name HA ))
ASSI { 5218}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
3.100 1.900 1.900 peak 5218 weight 0.10000E+01 volume 0.85650E+00 ppm1 1.211 ppm2 1.543
OR { 5218}
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
ASSI { 5233}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
3.000 1.800 1.800 peak 5233 weight 0.10000E+01 volume 0.10346E+01 ppm1 8.370 ppm2 1.452
OR { 5233}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
ASSI { 5237}
(( segid PTB and resid 102 and name HB1 ))
(( segid PTB and resid 99 and name HA ))
3.100 1.900 1.900 peak 5237 weight 0.10000E+01 volume 0.84580E+00 ppm1 3.181 ppm2 4.046
OR { 5237}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 99 and name HA ))
ASSI { 5238}
(( segid PTB and resid 99 and name HA ))
(( segid PTB and resid 102 and name HB1 ))
3.200 2.000 2.000 peak 5238 weight 0.10000E+01 volume 0.76980E+00 ppm1 4.045 ppm2 3.176
OR { 5238}
(( segid PTB and resid 105 and name HA ))
(( segid PTB and resid 102 and name HB1 ))
OR { 5238}
(( segid PTB and resid 200 and name HA ))
(( segid PTB and resid 198 and name HB2 ))
ASSI { 5263}
(( segid PTB and resid 86 and name HA ))
(( segid PTB and resid 86 and name HD1 ))
3.000 1.800 1.800 peak 5263 weight 0.10000E+01 volume 0.11880E+01 ppm1 5.010 ppm2 1.648
OR { 5263}
(( segid PTB and resid 86 and name HA ))
(( segid PTB and resid 86 and name HD2 ))
OR { 5263}
(( segid PTB and resid 118 and name HA ))
(( segid PTB and resid 86 and name HD1 ))
ASSI { 5265}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.700 1.500 1.500 peak 5265 weight 0.10000E+01 volume 0.22827E+01 ppm1 9.184 ppm2 0.995
OR { 5265}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
ASSI { 5302}
(( segid GPPY and resid 5 and name HA ))
(( segid PTB and resid 99 and name HA ))
3.000 1.800 1.800 peak 5302 weight 0.10000E+01 volume 0.11919E+01 ppm1 4.200 ppm2 4.050
OR { 5302}
(( segid PTB and resid 100 and name HA ))
(( segid PTB and resid 99 and name HA ))
ASSI { 5320}
(( segid PTB and resid 150 and name HB1 ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
3.200 2.000 2.000 peak 5320 weight 0.10000E+01 volume 0.80420E+00 ppm1 2.717 ppm2 0.686
OR { 5320}
(( segid PTB and resid 192 and name HA2 ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
OR { 5320}
(( segid PTB and resid 187 and name HA ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
ASSI { 5345}
(( segid PTB and resid 136 and name HE1 ))
(( segid PTB and resid 133 and name HA ))
2.700 1.500 1.500 peak 5345 weight 0.10000E+01 volume 0.21780E+01 ppm1 3.004 ppm2 4.490
OR { 5345}
(( segid PTB and resid 136 and name HE2 ))
(( segid PTB and resid 133 and name HA ))
OR { 5345}
(( segid PTB and resid 132 and name HB1 ))
(( segid PTB and resid 133 and name HA ))
ASSI { 5350}
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
(( segid PTB and resid 123 and name HA ))
3.000 1.800 1.800 peak 5350 weight 0.10000E+01 volume 0.10658E+01 ppm1 0.274 ppm2 4.310
OR { 5350}
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
(( segid PTB and resid 123 and name HA ))
ASSI { 5351}
(( segid PTB and resid 116 and name HB2 ))
(( segid PTB and resid 117 and name HA ))
3.000 1.800 1.800 peak 5351 weight 0.10000E+01 volume 0.11145E+01 ppm1 1.639 ppm2 4.308
OR { 5351}
(( segid PTB and resid 138 and name HB2 ))
(( segid PTB and resid 139 and name HA ))
OR { 5351}
(( segid PTB and resid 144 and name HB ))
(( segid PTB and resid 123 and name HA ))
OR { 5351}
(( segid PTB and resid 129 and name HB1 ))
(( segid PTB and resid 123 and name HA ))
OR { 5351}
(( segid PTB and resid 129 and name HG2 ))
(( segid PTB and resid 123 and name HA ))
OR { 5351}
(( segid PTB and resid 129 and name HG1 ))
(( segid PTB and resid 123 and name HA ))
OR { 5351}
(( segid PTB and resid 86 and name HD1 ))
(( segid PTB and resid 117 and name HA ))
ASSI { 5361}
(( segid PTB and resid 129 and name HA ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
3.100 1.900 1.900 peak 5361 weight 0.10000E+01 volume 0.95290E+00 ppm1 5.335 ppm2 0.605
OR { 5361}
(( segid PTB and resid 130 and name HA ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
OR { 5361}
(( segid PTB and resid 128 and name HA ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
ASSI { 5366}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
3.000 1.800 1.800 peak 5366 weight 0.10000E+01 volume 0.11233E+01 ppm1 9.199 ppm2 0.795
OR { 5366}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
OR { 5366}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
OR { 5366}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
ASSI { 5367}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
3.000 1.800 1.800 peak 5367 weight 0.10000E+01 volume 0.11054E+01 ppm1 8.530 ppm2 0.802
OR { 5367}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
ASSI { 5371}
(( segid PTB and resid 72 and name HB1 ))
(( segid PTB and resid 73 and name HA ))
3.000 1.800 1.800 peak 5371 weight 0.10000E+01 volume 0.10840E+01 ppm1 2.979 ppm2 3.878
OR { 5371}
(( segid PTB and resid 110 and name HD1 ))
(( segid PTB and resid 107 and name HA ))
OR { 5371}
(( segid PTB and resid 107 and name HE1 ))
(( segid PTB and resid 107 and name HA ))
ASSI { 5384}
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
3.100 1.900 1.900 peak 5384 weight 0.10000E+01 volume 0.91560E+00 ppm1 0.831 ppm2 2.197
OR { 5384}
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
OR { 5384}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
OR { 5384}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
ASSI { 5395}
(( segid PTB and resid 158 and name HA ))
(( segid PTB and resid 157 and name HA ))
3.100 1.900 1.900 peak 5395 weight 0.10000E+01 volume 0.90000E+00 ppm1 4.753 ppm2 4.443
OR { 5395}
(( segid PTB and resid 155 and name HA ))
(( segid PTB and resid 157 and name HA ))
ASSI { 5406}
(( segid PTB and resid 84 and name HB2 ))
(( segid PTB and resid 180 and name HA ))
3.200 2.000 2.000 peak 5406 weight 0.10000E+01 volume 0.73840E+00 ppm1 3.984 ppm2 4.261
OR { 5406}
(( segid PTB and resid 84 and name HB1 ))
(( segid PTB and resid 180 and name HA ))
OR { 5406}
(( segid PTB and resid 88 and name HA ))
(( segid PTB and resid 117 and name HA ))
ASSI { 5415}
(( segid PTB and resid 85 and name HA ))
(( segid PTB and resid 86 and name HA ))
2.900 1.700 1.700 peak 5415 weight 0.10000E+01 volume 0.14084E+01 ppm1 5.462 ppm2 5.022
OR { 5415}
(( segid PTB and resid 82 and name HA ))
(( segid PTB and resid 83 and name HA ))
ASSI { 5417}
(( segid PTB and resid 176 and name HA2 ))
(( segid PTB and resid 161 and name HA ))
3.100 1.900 1.900 peak 5417 weight 0.10000E+01 volume 0.96700E+00 ppm1 3.163 ppm2 5.361
OR { 5417}
(( segid PTB and resid 102 and name HB1 ))
(( segid PTB and resid 161 and name HA ))
OR { 5417}
(( segid PTB and resid 177 and name HB1 ))
(( segid PTB and resid 161 and name HA ))
ASSI { 5420}
(( segid PTB and resid 131 and name HB ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
1.900 0.700 0.700 peak 5420 weight 0.10000E+01 volume 0.16932E+02 ppm1 1.944 ppm2 0.804
OR { 5420}
(( segid PTB and resid 91 and name HB ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
OR { 5420}
(( segid PTB and resid 101 and name HB ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 5422}
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
(( segid PTB and resid 97 and name HG2 ))
3.000 1.800 1.800 peak 5422 weight 0.10000E+01 volume 0.10937E+01 ppm1 0.810 ppm2 1.316
OR { 5422}
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
(( segid PTB and resid 97 and name HG1 ))
OR { 5422}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 107 and name HG2 ))
OR { 5422}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 107 and name HG1 ))
OR { 5422}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 97 and name HG2 ))
OR { 5422}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 97 and name HG1 ))
OR { 5422}
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
(( segid PTB and resid 107 and name HG2 ))
OR { 5422}
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
(( segid PTB and resid 107 and name HG1 ))
OR { 5422}
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
(( segid PTB and resid 97 and name HG2 ))
ASSI { 5439}
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
3.100 1.900 1.900 peak 5439 weight 0.10000E+01 volume 0.87675E+00 ppm1 1.462 ppm2 0.131
OR { 5439}
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
OR { 5439}
(( segid PTB and resid 86 and name HB1 ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
ASSI { 5440}
(( segid PTB and resid 80 and name HB ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
2.100 0.900 0.900 peak 5440 weight 0.10000E+01 volume 0.10768E+02 ppm1 4.317 ppm2 1.056
OR { 5440}
(( segid PTB and resid 117 and name HA ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
ASSI { 5472}
(( segid PTB and resid 140 and name HB ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
3.300 2.200 2.200 peak 5472 weight 0.10000E+01 volume 0.62315E+00 ppm1 1.562 ppm2 0.634
OR { 5472}
(( segid PTB and resid 120 and name HB2 ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
OR { 5472}
(( segid PTB and resid 120 and name HB1 ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
OR { 5472}
(( segid PTB and resid 128 and name HB2 ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
OR { 5472}
(( segid PTB and resid 138 and name HB1 ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
ASSI { 5493}
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
(( segid PTB and resid 133 and name HA ))
3.300 2.200 2.200 peak 5493 weight 0.10000E+01 volume 0.66844E+00 ppm1 0.857 ppm2 4.504
OR { 5493}
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
(( segid PTB and resid 133 and name HA ))
ASSI { 5502}
(( segid PTB and resid 86 and name HB2 ))
(( segid PTB and resid 180 and name HB1 ))
3.100 1.900 1.900 peak 5502 weight 0.10000E+01 volume 0.94153E+00 ppm1 1.828 ppm2 2.620
OR { 5502}
(( segid PTB and resid 181 and name HB1 ))
(( segid PTB and resid 180 and name HB1 ))
ASSI { 5503}
(( segid PTB and resid 181 and name HD1 ))
(( segid PTB and resid 180 and name HB1 ))
3.200 2.000 2.000 peak 5503 weight 0.10000E+01 volume 0.80441E+00 ppm1 1.733 ppm2 2.596
OR { 5503}
(( segid PTB and resid 181 and name HD2 ))
(( segid PTB and resid 180 and name HB1 ))
OR { 5503}
(( segid PTB and resid 118 and name HG2 ))
(( segid PTB and resid 180 and name HB1 ))
ASSI { 5511}
(( segid PTB and resid 113 and name HG1 ))
(( segid PTB and resid 112 and name HA ))
3.400 2.300 2.100 peak 5511 weight 0.10000E+01 volume 0.53456E+00 ppm1 1.729 ppm2 4.278
OR { 5511}
(( segid PTB and resid 136 and name HD2 ))
(( segid PTB and resid 134 and name HA ))
OR { 5511}
(( segid PTB and resid 114 and name HB2 ))
(( segid PTB and resid 112 and name HA ))
OR { 5511}
(( segid PTB and resid 113 and name HG2 ))
(( segid PTB and resid 112 and name HA ))
ASSI { 5522}
(( segid PTB and resid 81 and name HB1 ))
(( segid PTB and resid 123 and name HA ))
3.100 1.900 1.900 peak 5522 weight 0.10000E+01 volume 0.10166E+01 ppm1 3.072 ppm2 4.365
OR { 5522}
(( segid PTB and resid 164 and name HB1 ))
(( segid PTB and resid 169 and name HA ))
OR { 5522}
(( segid PTB and resid 82 and name HB1 ))
(( segid PTB and resid 123 and name HA ))
ASSI { 5529}
(( segid PTB and resid 136 and name HA ))
(( segid PTB and resid 135 and name HA ))
3.200 2.000 2.000 peak 5529 weight 0.10000E+01 volume 0.81737E+00 ppm1 4.133 ppm2 4.394
OR { 5529}
(( segid PTB and resid 137 and name HA1 ))
(( segid PTB and resid 135 and name HA ))
ASSI { 5530}
(( segid PTB and resid 204 and name HG2 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
2.600 1.400 1.400 peak 5530 weight 0.10000E+01 volume 0.29198E+01 ppm1 1.708 ppm2 1.252
OR { 5530}
(( segid PTB and resid 207 and name HG2 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
OR { 5530}
(( segid PTB and resid 205 and name HG1 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
OR { 5530}
(( segid PTB and resid 207 and name HG1 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
OR { 5530}
(( segid PTB and resid 205 and name HG2 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
ASSI { 5538}
(( segid PTB and resid 136 and name HD1 ))
(( segid PTB and resid 136 and name HB2 ))
3.100 1.900 1.900 peak 5538 weight 0.10000E+01 volume 0.10018E+01 ppm1 1.579 ppm2 2.201
OR { 5538}
(( segid PTB and resid 107 and name HD2 ))
(( segid PTB and resid 111 and name HB1 ))
ASSI { 5542}
(( segid PTB and resid 111 and name HG1 ))
(( segid PTB and resid 107 and name HG2 ))
3.300 2.200 2.200 peak 5542 weight 0.10000E+01 volume 0.67290E+00 ppm1 2.623 ppm2 1.316
OR { 5542}
(( segid PTB and resid 111 and name HG1 ))
(( segid PTB and resid 107 and name HG1 ))
OR { 5542}
(( segid PTB and resid 172 and name HB2 ))
(( segid PTB and resid 97 and name HG2 ))
ASSI { 5547}
(( segid PTB and resid 140 and name HA ))
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
3.300 2.200 2.200 peak 5547 weight 0.10000E+01 volume 0.65042E+00 ppm1 4.118 ppm2 0.993
OR { 5547}
(( segid PTB and resid 89 and name HA1 ))
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
ASSI { 5556}
(( segid PTB and resid 138 and name HG ))
(( segid PTB and resid 139 and name HA ))
3.100 1.900 1.900 peak 5556 weight 0.10000E+01 volume 0.96888E+00 ppm1 1.469 ppm2 4.315
OR { 5556}
(( segid PTB and resid 138 and name HB1 ))
(( segid PTB and resid 139 and name HA ))
OR { 5556}
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
(( segid PTB and resid 123 and name HA ))
ASSI { 5558}
(( segid PTB and resid 128 and name HG ))
(( segid PTB and resid 123 and name HA ))
3.000 1.800 1.800 peak 5558 weight 0.10000E+01 volume 0.10920E+01 ppm1 1.556 ppm2 4.300
OR { 5558}
(( segid PTB and resid 128 and name HB2 ))
(( segid PTB and resid 123 and name HA ))
OR { 5558}
(( segid PTB and resid 116 and name HB2 ))
(( segid PTB and resid 117 and name HA ))
OR { 5558}
(( segid PTB and resid 138 and name HB1 ))
(( segid PTB and resid 139 and name HA ))
ASSI { 5564}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.400 1.200 1.200 peak 5564 weight 0.10000E+01 volume 0.45982E+01 ppm1 0.641 ppm2 0.959
OR { 5564}
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
OR { 5564}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
ASSI { 5566}
(( segid PTB and resid 93 and name HB ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
3.000 1.800 1.800 peak 5566 weight 0.10000E+01 volume 0.10626E+01 ppm1 2.210 ppm2 0.998
OR { 5566}
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
OR { 5566}
(( segid PTB and resid 173 and name HG2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
OR { 5566}
(( segid PTB and resid 99 and name HB2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
OR { 5566}
(( segid PTB and resid 173 and name HG1 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
OR { 5566}
(( segid PTB and resid 95 and name HG1 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
ASSI { 5574}
(( segid PTB and resid 139 and name HA ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
3.200 2.000 2.000 peak 5574 weight 0.10000E+01 volume 0.74227E+00 ppm1 4.295 ppm2 0.609
OR { 5574}
(( segid PTB and resid 169 and name HB ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
ASSI { 5580}
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
(( segid PTB and resid 150 and name HA ))
3.100 1.900 1.900 peak 5580 weight 0.10000E+01 volume 0.92422E+00 ppm1 0.607 ppm2 5.380
OR { 5580}
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
(( segid PTB and resid 161 and name HA ))
OR { 5580}
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
(( segid PTB and resid 161 and name HA ))
OR { 5580}
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
(( segid PTB and resid 161 and name HA ))
OR { 5580}
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
(( segid PTB and resid 161 and name HA ))
OR { 5580}
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
(( segid PTB and resid 150 and name HA ))
ASSI { 5586}
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
3.200 2.000 2.000 peak 5586 weight 0.10000E+01 volume 0.81834E+00 ppm1 0.637 ppm2 1.585
OR { 5586}
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
(( segid PTB and resid 178 and name HG ))
ASSI { 5587}
(( segid PTB and resid 86 and name HB2 ))
(( segid PTB and resid 178 and name HG ))
3.300 2.200 2.200 peak 5587 weight 0.10000E+01 volume 0.62302E+00 ppm1 1.850 ppm2 1.578
OR { 5587}
(( segid PTB and resid 158 and name HB1 ))
(( segid PTB and resid 178 and name HG ))
OR { 5587}
(( segid PTB and resid 158 and name HB2 ))
(( segid PTB and resid 178 and name HG ))
OR { 5587}
(( segid PTB and resid 158 and name HG2 ))
(( segid PTB and resid 178 and name HG ))
OR { 5587}
(( segid PTB and resid 158 and name HG1 ))
(( segid PTB and resid 178 and name HG ))
OR { 5587}
(( segid PTB and resid 154 and name HG2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
OR { 5587}
(( segid PTB and resid 154 and name HB1 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
ASSI { 5588}
(( segid GPPY and resid 5 and name HG2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
3.000 1.800 1.800 peak 5588 weight 0.10000E+01 volume 0.10704E+01 ppm1 1.767 ppm2 1.581
OR { 5588}
(( segid PTB and resid 163 and name HG11))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
ASSI { 5597}
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
(( segid PTB and resid 202 and name HA ))
2.500 1.300 1.300 peak 5597 weight 0.10000E+01 volume 0.37596E+01 ppm1 0.946 ppm2 4.117
OR { 5597}
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
(( segid PTB and resid 199 and name HA ))
OR { 5597}
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
(( segid PTB and resid 199 and name HA ))
ASSI { 5635}
(( segid PTB and resid 125 and name HA1 ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
3.300 2.200 2.200 peak 5635 weight 0.10000E+01 volume 0.68579E+00 ppm1 3.595 ppm2 0.900
OR { 5635}
(( segid PTB and resid 195 and name HB2 ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
OR { 5635}
(( segid PTB and resid 194 and name HA ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
ASSI { 5657}
(( segid PTB and resid 104 and name HA ))
(( segid PTB and resid 107 and name HG1 ))
3.100 1.900 1.900 peak 5657 weight 0.10000E+01 volume 0.91004E+00 ppm1 4.041 ppm2 1.317
OR { 5657}
(( segid PTB and resid 104 and name HA ))
(( segid PTB and resid 107 and name HG2 ))
OR { 5657}
(( segid PTB and resid 110 and name HA ))
(( segid PTB and resid 107 and name HG2 ))
OR { 5657}
(( segid PTB and resid 105 and name HA ))
(( segid PTB and resid 107 and name HG2 ))
OR { 5657}
(( segid PTB and resid 105 and name HA ))
(( segid PTB and resid 107 and name HG1 ))
ASSI { 5666}
(( segid PTB and resid 93 and name HB ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
3.100 1.900 1.900 peak 5666 weight 0.10000E+01 volume 0.90000E+00 ppm1 2.241 ppm2 0.815
OR { 5666}
(( segid PTB and resid 108 and name HB ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
ASSI { 28}
(( segid GPPY and resid 5 and name HB2 ))
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
2.800 1.600 1.600 peak 28 weight 0.10000E+01 volume 0.42257E+00 ppm1 2.000 ppm2 7.042
OR { 28}
(( segid GPPY and resid 5 and name HB2 ))
(( segid GPPY and resid 7 and name HN ))
ASSI { 21}
(( segid GPPY and resid 3 and name HN ))
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
2.900 1.700 1.700 peak 21 weight 0.10000E+01 volume 0.82055E+00 ppm1 8.430 ppm2 1.409
OR { 21}
(( segid GPPY and resid 3 and name HN ))
(( segid GPPY and resid 3 and name HG11))
ASSI { 69}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
3.100 1.900 1.900 peak 69 weight 0.10000E+01 volume 0.61926E+00 ppm1 7.729 ppm2 1.432
OR { 69}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 3 and name HG11))
OR { 69}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 7 and name HB1 ))
ASSI { 73}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 3 and name HG12))
3.100 1.900 1.900 peak 73 weight 0.10000E+01 volume 0.57742E+00 ppm1 7.707 ppm2 1.836
OR { 73}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 5 and name HG2 ))
ASSI { 93}
(( segid GPPY and resid 3 and name HA ))
(( segid GPPY and resid 3 and name HG11))
2.800 1.600 1.600 peak 93 weight 0.10000E+01 volume 0.10467E+01 ppm1 4.295 ppm2 1.394
OR { 93}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
ASSI { 110}
(( segid GPPY and resid 3 and name HA ))
(( segid GPPY and resid 5 and name HD2 ))
2.900 1.700 1.700 peak 110 weight 0.10000E+01 volume 0.88262E+00 ppm1 4.309 ppm2 2.555
OR { 110}
(( segid GPPY and resid 3 and name HA ))
(( segid GPPY and resid 4 and name HA1 ))
ASSI { 111}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 4 and name HA1 ))
3.100 1.900 1.900 peak 111 weight 0.10000E+01 volume 0.62560E+00 ppm1 4.296 ppm2 2.489
OR { 111}
(( segid GPPY and resid 3 and name HA ))
(( segid GPPY and resid 4 and name HA1 ))
ASSI { 112}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 5 and name HD2 ))
3.000 1.800 1.800 peak 112 weight 0.10000E+01 volume 0.69388E+00 ppm1 4.259 ppm2 2.556
OR { 112}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 4 and name HA1 ))
ASSI { 139}
(( segid GPPY and resid 3 and name HG11))
(( segid GPPY and resid 2 and name HB1 ))
3.000 1.800 1.800 peak 139 weight 0.10000E+01 volume 0.71099E+00 ppm1 1.431 ppm2 3.047
OR { 139}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid GPPY and resid 2 and name HB1 ))
ASSI { 1}
(( segid PTB and resid 72 and name N ))
(( segid PTB and resid 68 and name O ))
3.000 0.200 0.200 peak 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 2}
(( segid PTB and resid 72 and name N ))
(( segid PTB and resid 68 and name C ))
4.100 0.300 0.300 peak 2 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 3}
(( segid PTB and resid 73 and name N ))
(( segid PTB and resid 69 and name O ))
3.000 0.200 0.200 peak 3 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 4}
(( segid PTB and resid 73 and name N ))
(( segid PTB and resid 69 and name C ))
4.100 0.300 0.300 peak 4 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 5}
(( segid PTB and resid 78 and name N ))
(( segid PTB and resid 74 and name O ))
3.000 0.200 0.200 peak 5 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 6}
(( segid PTB and resid 78 and name N ))
(( segid PTB and resid 74 and name C ))
4.100 0.300 0.300 peak 6 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 7}
(( segid PTB and resid 79 and name N ))
(( segid PTB and resid 75 and name O ))
3.000 0.200 0.200 peak 7 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 8}
(( segid PTB and resid 79 and name N ))
(( segid PTB and resid 75 and name C ))
4.100 0.300 0.300 peak 8 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 9}
(( segid PTB and resid 83 and name N ))
(( segid PTB and resid 121 and name O ))
3.000 0.200 0.200 peak 9 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 10}
(( segid PTB and resid 83 and name N ))
(( segid PTB and resid 121 and name C ))
4.100 0.300 0.300 peak 10 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 11}
(( segid PTB and resid 85 and name N ))
(( segid PTB and resid 119 and name O ))
3.000 0.200 0.200 peak 11 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 12}
(( segid PTB and resid 85 and name N ))
(( segid PTB and resid 119 and name C ))
4.100 0.300 0.300 peak 12 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 13}
(( segid PTB and resid 86 and name N ))
(( segid PTB and resid 178 and name O ))
3.000 0.200 0.200 peak 13 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 14}
(( segid PTB and resid 86 and name N ))
(( segid PTB and resid 178 and name C ))
4.100 0.300 0.300 peak 14 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 15}
(( segid PTB and resid 88 and name N ))
(( segid PTB and resid 176 and name O ))
3.000 0.200 0.200 peak 15 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 16}
(( segid PTB and resid 88 and name N ))
(( segid PTB and resid 176 and name C ))
4.100 0.300 0.300 peak 16 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 17}
(( segid PTB and resid 91 and name N ))
(( segid PTB and resid 174 and name O ))
3.000 0.200 0.200 peak 17 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 18}
(( segid PTB and resid 91 and name N ))
(( segid PTB and resid 174 and name C ))
4.100 0.300 0.300 peak 18 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 19}
(( segid PTB and resid 106 and name N ))
(( segid PTB and resid 102 and name O ))
3.000 0.200 0.200 peak 19 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 20}
(( segid PTB and resid 106 and name N ))
(( segid PTB and resid 102 and name C ))
4.100 0.300 0.300 peak 20 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 21}
(( segid PTB and resid 108 and name N ))
(( segid PTB and resid 104 and name O ))
3.000 0.200 0.200 peak 21 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 22}
(( segid PTB and resid 108 and name N ))
(( segid PTB and resid 104 and name C ))
4.100 0.300 0.300 peak 22 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 23}
(( segid PTB and resid 111 and name N ))
(( segid PTB and resid 107 and name O ))
3.000 0.200 0.200 peak 23 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 24}
(( segid PTB and resid 111 and name N ))
(( segid PTB and resid 107 and name C ))
4.100 0.300 0.300 peak 24 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 25}
(( segid PTB and resid 112 and name N ))
(( segid PTB and resid 108 and name O ))
3.000 0.200 0.200 peak 25 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 26}
(( segid PTB and resid 112 and name N ))
(( segid PTB and resid 108 and name C ))
4.100 0.300 0.300 peak 26 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 27}
(( segid PTB and resid 120 and name N ))
(( segid PTB and resid 131 and name O ))
3.000 0.200 0.200 peak 27 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 28}
(( segid PTB and resid 120 and name N ))
(( segid PTB and resid 131 and name C ))
4.100 0.300 0.300 peak 28 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 29}
(( segid PTB and resid 121 and name N ))
(( segid PTB and resid 83 and name O ))
3.000 0.200 0.200 peak 29 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 30}
(( segid PTB and resid 121 and name N ))
(( segid PTB and resid 83 and name C ))
4.100 0.300 0.300 peak 30 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 31}
(( segid PTB and resid 122 and name N ))
(( segid PTB and resid 129 and name O ))
3.000 0.200 0.200 peak 31 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 32}
(( segid PTB and resid 122 and name N ))
(( segid PTB and resid 129 and name C ))
4.100 0.300 0.300 peak 32 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 33}
(( segid PTB and resid 131 and name N ))
(( segid PTB and resid 120 and name O ))
3.000 0.200 0.200 peak 33 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 34}
(( segid PTB and resid 131 and name N ))
(( segid PTB and resid 120 and name C ))
4.100 0.300 0.300 peak 34 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 35}
(( segid PTB and resid 133 and name N ))
(( segid PTB and resid 118 and name O ))
3.000 0.200 0.200 peak 35 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 36}
(( segid PTB and resid 133 and name N ))
(( segid PTB and resid 118 and name C ))
4.100 0.300 0.300 peak 36 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 37}
(( segid PTB and resid 139 and name N ))
(( segid PTB and resid 130 and name O ))
3.000 0.200 0.200 peak 37 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 38}
(( segid PTB and resid 139 and name N ))
(( segid PTB and resid 130 and name C ))
4.100 0.300 0.300 peak 38 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 39}
(( segid PTB and resid 162 and name N ))
(( segid PTB and resid 175 and name O ))
3.000 0.200 0.200 peak 39 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 40}
(( segid PTB and resid 162 and name N ))
(( segid PTB and resid 175 and name C ))
4.100 0.300 0.300 peak 40 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 41}
(( segid PTB and resid 164 and name N ))
(( segid PTB and resid 173 and name O ))
3.000 0.200 0.200 peak 41 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 42}
(( segid PTB and resid 164 and name N ))
(( segid PTB and resid 173 and name C ))
4.100 0.300 0.300 peak 42 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 43}
(( segid PTB and resid 174 and name N ))
(( segid PTB and resid 91 and name O ))
3.000 0.200 0.200 peak 43 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 44}
(( segid PTB and resid 174 and name N ))
(( segid PTB and resid 91 and name C ))
4.100 0.300 0.300 peak 44 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 45}
(( segid PTB and resid 175 and name N ))
(( segid PTB and resid 162 and name O ))
3.000 0.200 0.200 peak 45 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 46}
(( segid PTB and resid 175 and name N ))
(( segid PTB and resid 162 and name C ))
4.100 0.300 0.300 peak 46 weight 0.10000E+01 volume 0.00000E+00 ppm1 -9999.000 ppm2 -9999.000
ASSI { 92}
(( segid GPPY and resid 3 and name HG12))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
4.100 3.400 1.400 peak 92 weight 0.10000E+01 volume 0.14918E+01 ppm1 0.945 ppm2 1.858
ASSI { 93}
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
3.600 2.600 1.900 peak 93 weight 0.10000E+01 volume 0.35495E+01 ppm1 0.947 ppm2 1.057
ASSI { 94}
(( segid GPPY and resid 7 and name HD11)
OR
( segid GPPY and resid 7 and name HD13)
OR
( segid GPPY and resid 7 and name HD12))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
3.700 2.700 1.800 peak 94 weight 0.10000E+01 volume 0.25953E+01 ppm1 0.944 ppm2 0.851
OR { 94}
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
ASSI { 102}
(( segid GPPY and resid 3 and name HA ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
3.600 2.600 1.900 peak 102 weight 0.10000E+01 volume 0.31831E+01 ppm1 0.953 ppm2 4.295
ASSI { 118}
(( segid GPPY and resid 3 and name HA ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
3.300 2.200 2.200 peak 118 weight 0.10000E+01 volume 0.52980E+01 ppm1 0.952 ppm2 4.292
ASSI { 121}
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
4.000 3.200 1.500 peak 121 weight 0.10000E+01 volume 0.18564E+01 ppm1 0.957 ppm2 1.059
ASSI { 132}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
3.200 2.000 2.000 peak 132 weight 0.10000E+01 volume 0.61244E+01 ppm1 1.574 ppm2 1.459
ASSI { 143}
(( segid GPPY and resid 3 and name HA ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
4.200 3.500 1.300 peak 143 weight 0.10000E+01 volume 0.12384E+01 ppm1 1.249 ppm2 4.304
ASSI { 147}
(( segid GPPY and resid 3 and name HG21)
OR
( segid GPPY and resid 3 and name HG23)
OR
( segid GPPY and resid 3 and name HG22))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
3.500 2.500 2.000 peak 147 weight 0.10000E+01 volume 0.38600E+01 ppm1 1.249 ppm2 1.156
ASSI { 219}
(( segid GPPY and resid 2 and name HB2 ))
(( segid PTB and resid 202 and name HE1 ))
3.400 2.300 2.100 peak 219 weight 0.10000E+01 volume 0.44663E+01 ppm1 3.010 ppm2 3.122
OR { 219}
(( segid GPPY and resid 2 and name HB2 ))
(( segid PTB and resid 202 and name HE2 ))
ASSI { 340}
(( segid GPPY and resid 7 and name HA ))
(( segid PTB and resid 204 and name HA ))
3.800 2.900 1.700 peak 340 weight 0.10000E+01 volume 0.23704E+01 ppm1 4.231 ppm2 4.111
ASSI { 341}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid PTB and resid 99 and name HG2 ))
4.200 3.500 1.300 peak 341 weight 0.10000E+01 volume 0.12376E+01 ppm1 2.880 ppm2 1.443
ASSI { 21}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 118 and name HD2 ))
3.400 2.300 2.100 peak 21 weight 0.10000E+01 volume 0.10904E+01 ppm1 8.984 ppm2 3.265
OR { 21}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 118 and name HD1 ))
ASSI { 22}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 117 and name HB ))
3.400 2.300 2.100 peak 22 weight 0.10000E+01 volume 0.97450E+00 ppm1 8.983 ppm2 2.128
ASSI { 31}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 118 and name HG2 ))
2.700 1.500 1.500 peak 31 weight 0.10000E+01 volume 0.37762E+01 ppm1 8.979 ppm2 1.690
OR { 31}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 118 and name HG1 ))
ASSI { 41}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
3.400 2.300 2.100 peak 41 weight 0.10000E+01 volume 0.98320E+00 ppm1 8.729 ppm2 0.979
ASSI { 43}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 158 and name HA ))
3.400 2.300 2.100 peak 43 weight 0.10000E+01 volume 0.10405E+01 ppm1 9.704 ppm2 4.734
ASSI { 44}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 178 and name HD11)
OR
( segid PTB and resid 178 and name HD13)
OR
( segid PTB and resid 178 and name HD12))
3.400 2.300 2.100 peak 44 weight 0.10000E+01 volume 0.10787E+01 ppm1 9.711 ppm2 0.804
ASSI { 51}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 178 and name HB1 ))
3.300 2.200 2.200 peak 51 weight 0.10000E+01 volume 0.12812E+01 ppm1 9.696 ppm2 1.370
ASSI { 53}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 171 and name HN ))
3.400 2.300 2.100 peak 53 weight 0.10000E+01 volume 0.10519E+01 ppm1 8.737 ppm2 7.323
ASSI { 54}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 172 and name HA ))
3.400 2.300 2.100 peak 54 weight 0.10000E+01 volume 0.10212E+01 ppm1 8.741 ppm2 5.272
ASSI { 59}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 166 and name HB1 ))
2.800 1.600 1.600 peak 59 weight 0.10000E+01 volume 0.30730E+01 ppm1 8.733 ppm2 2.783
ASSI { 62}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 96 and name HB2 ))
3.200 2.000 2.000 peak 62 weight 0.10000E+01 volume 0.14154E+01 ppm1 8.733 ppm2 1.526
ASSI { 69}
(( segid PTB and resid 69 and name HE1 ))
(( segid PTB and resid 69 and name HA ))
2.700 2.700 1.800 peak 69 weight 0.10000E+01 volume 0.40253E+01 ppm1 10.229 ppm2 4.733
ASSI { 71}
(( segid PTB and resid 69 and name HE1 ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
3.300 2.200 2.200 peak 71 weight 0.10000E+01 volume 0.11828E+01 ppm1 10.223 ppm2 1.431
ASSI { 74}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
3.500 2.500 2.000 peak 74 weight 0.10000E+01 volume 0.91910E+00 ppm1 9.711 ppm2 7.350
ASSI { 75}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
3.300 2.200 2.200 peak 75 weight 0.10000E+01 volume 0.11925E+01 ppm1 8.903 ppm2 0.996
ASSI { 82}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 131 and name HB ))
3.200 2.000 2.000 peak 82 weight 0.10000E+01 volume 0.13396E+01 ppm1 8.891 ppm2 1.908
ASSI { 85}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 165 and name HN ))
3.500 2.500 2.000 peak 85 weight 0.10000E+01 volume 0.92560E+00 ppm1 8.746 ppm2 8.262
ASSI { 105}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 120 and name HB2 ))
3.200 2.000 2.000 peak 105 weight 0.10000E+01 volume 0.15970E+01 ppm1 8.731 ppm2 1.538
OR { 105}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 120 and name HB1 ))
ASSI { 123}
(( segid PTB and resid 172 and name HE1 ))
(( segid PTB and resid 172 and name HH2 ))
3.100 1.900 1.900 peak 123 weight 0.10000E+01 volume 0.17211E+01 ppm1 10.020 ppm2 7.253
ASSI { 124}
(( segid PTB and resid 172 and name HE1 ))
(( segid PTB and resid 172 and name HD1 ))
1.900 0.700 0.700 peak 124 weight 0.10000E+01 volume 0.32710E+02 ppm1 10.021 ppm2 6.886
ASSI { 131}
(( segid PTB and resid 99 and name HN ))
(( segid PTB and resid 100 and name HN ))
3.400 2.300 2.100 peak 131 weight 0.10000E+01 volume 0.95850E+00 ppm1 9.126 ppm2 8.819
ASSI { 132}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 157 and name HA ))
3.300 2.200 2.200 peak 132 weight 0.10000E+01 volume 0.11712E+01 ppm1 9.130 ppm2 4.426
ASSI { 135}
(( segid PTB and resid 99 and name HN ))
(( segid PTB and resid 99 and name HA ))
3.400 2.300 2.100 peak 135 weight 0.10000E+01 volume 0.10067E+01 ppm1 9.112 ppm2 4.017
ASSI { 136}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 158 and name HD1 ))
3.000 1.800 1.800 peak 136 weight 0.10000E+01 volume 0.22161E+01 ppm1 9.111 ppm2 3.231
OR { 136}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 158 and name HD2 ))
ASSI { 138}
(( segid PTB and resid 99 and name HN ))
(( segid PTB and resid 99 and name HB2 ))
2.800 1.600 1.600 peak 138 weight 0.10000E+01 volume 0.32481E+01 ppm1 9.107 ppm2 2.151
OR { 138}
(( segid PTB and resid 99 and name HN ))
(( segid PTB and resid 99 and name HB1 ))
ASSI { 140}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 121 and name HA ))
3.400 2.300 2.100 peak 140 weight 0.10000E+01 volume 0.97140E+00 ppm1 8.725 ppm2 5.084
ASSI { 154}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.700 1.500 1.500 peak 154 weight 0.10000E+01 volume 0.41413E+01 ppm1 9.813 ppm2 0.631
ASSI { 156}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 156 and name HA ))
2.800 1.600 1.600 peak 156 weight 0.10000E+01 volume 0.35463E+01 ppm1 9.120 ppm2 4.560
ASSI { 157}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 157 and name HG2 ))
3.300 2.200 2.200 peak 157 weight 0.10000E+01 volume 0.12062E+01 ppm1 9.109 ppm2 2.366
OR { 157}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 157 and name HG1 ))
ASSI { 158}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 93 and name HN ))
3.300 2.200 2.200 peak 158 weight 0.10000E+01 volume 0.13292E+01 ppm1 8.420 ppm2 8.271
ASSI { 165}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 122 and name HD2 ))
3.200 2.000 2.000 peak 165 weight 0.10000E+01 volume 0.14514E+01 ppm1 9.816 ppm2 6.671
ASSI { 167}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 122 and name HA ))
3.100 1.900 1.900 peak 167 weight 0.10000E+01 volume 0.17695E+01 ppm1 9.815 ppm2 4.952
ASSI { 175}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 132 and name HB1 ))
3.400 2.300 2.100 peak 175 weight 0.10000E+01 volume 0.10791E+01 ppm1 9.129 ppm2 2.972
ASSI { 177}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
3.200 2.000 2.000 peak 177 weight 0.10000E+01 volume 0.15925E+01 ppm1 9.118 ppm2 1.022
ASSI { 178}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 120 and name HN ))
3.300 2.200 2.200 peak 178 weight 0.10000E+01 volume 0.12288E+01 ppm1 9.118 ppm2 8.559
ASSI { 180}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 142 and name HN ))
3.300 2.200 2.200 peak 180 weight 0.10000E+01 volume 0.12978E+01 ppm1 8.682 ppm2 8.817
ASSI { 182}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 140 and name HN ))
3.200 2.000 2.000 peak 182 weight 0.10000E+01 volume 0.13930E+01 ppm1 8.692 ppm2 7.260
ASSI { 195}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 87 and name HE1 )
OR
( segid PTB and resid 87 and name HE2 ))
3.300 2.200 2.200 peak 195 weight 0.10000E+01 volume 0.11681E+01 ppm1 8.353 ppm2 6.586
ASSI { 212}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 113 and name HD2 ))
3.300 2.200 2.200 peak 212 weight 0.10000E+01 volume 0.11271E+01 ppm1 8.653 ppm2 3.228
OR { 212}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 113 and name HD1 ))
ASSI { 216}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
3.400 2.300 2.100 peak 216 weight 0.10000E+01 volume 0.97240E+00 ppm1 8.084 ppm2 7.056
ASSI { 220}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 144 and name HA ))
3.400 2.300 2.100 peak 220 weight 0.10000E+01 volume 0.10653E+01 ppm1 8.076 ppm2 3.908
ASSI { 221}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
3.200 2.000 2.000 peak 221 weight 0.10000E+01 volume 0.13364E+01 ppm1 8.070 ppm2 0.940
ASSI { 236}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 103 and name HG2 ))
3.300 2.200 2.200 peak 236 weight 0.10000E+01 volume 0.11752E+01 ppm1 8.908 ppm2 2.574
ASSI { 237}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
3.300 2.200 2.200 peak 237 weight 0.10000E+01 volume 0.11321E+01 ppm1 8.900 ppm2 2.191
ASSI { 238}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 154 and name HB2 ))
2.600 1.400 1.400 peak 238 weight 0.10000E+01 volume 0.51648E+01 ppm1 8.908 ppm2 1.806
OR { 238}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 154 and name HB1 ))
OR { 238}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 154 and name HG2 ))
ASSI { 247}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 155 and name HA ))
2.600 2.600 1.900 peak 247 weight 0.10000E+01 volume 0.56432E+01 ppm1 8.909 ppm2 4.738
ASSI { 265}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 138 and name HG ))
3.300 2.200 2.200 peak 265 weight 0.10000E+01 volume 0.11774E+01 ppm1 8.795 ppm2 1.506
OR { 265}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 138 and name HB1 ))
ASSI { 272}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 193 and name HA ))
3.000 1.800 1.800 peak 272 weight 0.10000E+01 volume 0.19867E+01 ppm1 7.544 ppm2 3.980
ASSI { 281}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
3.200 2.000 2.000 peak 281 weight 0.10000E+01 volume 0.14008E+01 ppm1 8.804 ppm2 0.974
ASSI { 287}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 191 and name HA ))
2.800 1.600 1.600 peak 287 weight 0.10000E+01 volume 0.30358E+01 ppm1 7.543 ppm2 3.007
ASSI { 289}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
3.400 2.300 2.100 peak 289 weight 0.10000E+01 volume 0.94780E+00 ppm1 7.531 ppm2 0.287
ASSI { 293}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 86 and name HN ))
3.400 2.300 2.100 peak 293 weight 0.10000E+01 volume 0.10848E+01 ppm1 9.667 ppm2 9.156
ASSI { 301}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 117 and name HB ))
3.100 1.900 1.900 peak 301 weight 0.10000E+01 volume 0.18809E+01 ppm1 9.667 ppm2 2.149
ASSI { 303}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
3.300 2.200 2.200 peak 303 weight 0.10000E+01 volume 0.12435E+01 ppm1 9.661 ppm2 1.162
ASSI { 304}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
3.400 2.300 2.100 peak 304 weight 0.10000E+01 volume 0.10677E+01 ppm1 9.671 ppm2 0.911
OR { 304}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
ASSI { 313}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 129 and name HG1 ))
3.000 1.800 1.800 peak 313 weight 0.10000E+01 volume 0.22946E+01 ppm1 8.807 ppm2 1.662
OR { 313}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 129 and name HG2 ))
OR { 313}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 129 and name HB2 ))
ASSI { 321}
(( segid PTB and resid 143 and name HN ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.500 1.300 1.300 peak 321 weight 0.10000E+01 volume 0.60367E+01 ppm1 8.737 ppm2 1.348
ASSI { 325}
(( segid PTB and resid 82 and name HN ))
(( segid PTB and resid 81 and name HN ))
3.200 2.000 2.000 peak 325 weight 0.10000E+01 volume 0.15824E+01 ppm1 8.008 ppm2 7.440
ASSI { 326}
(( segid PTB and resid 82 and name HN ))
(( segid PTB and resid 81 and name HB2 ))
3.000 1.800 1.800 peak 326 weight 0.10000E+01 volume 0.21178E+01 ppm1 8.011 ppm2 2.200
ASSI { 327}
(( segid PTB and resid 82 and name HN ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
2.800 1.600 1.600 peak 327 weight 0.10000E+01 volume 0.33300E+01 ppm1 8.009 ppm2 1.335
ASSI { 342}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 187 and name HG ))
3.500 2.500 2.000 peak 342 weight 0.10000E+01 volume 0.91480E+00 ppm1 9.059 ppm2 1.242
ASSI { 348}
(( segid PTB and resid 79 and name HN ))
(( segid PTB and resid 124 and name HA ))
3.400 2.300 2.100 peak 348 weight 0.10000E+01 volume 0.97080E+00 ppm1 8.095 ppm2 5.168
ASSI { 350}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 79 and name HN ))
3.500 2.500 2.000 peak 350 weight 0.10000E+01 volume 0.90770E+00 ppm1 7.433 ppm2 8.113
ASSI { 357}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 123 and name HB ))
3.400 2.300 2.100 peak 357 weight 0.10000E+01 volume 0.96390E+00 ppm1 7.438 ppm2 1.800
ASSI { 362}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
3.000 1.800 1.800 peak 362 weight 0.10000E+01 volume 0.20228E+01 ppm1 7.433 ppm2 1.072
ASSI { 373}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 120 and name HB1 ))
3.100 1.900 1.900 peak 373 weight 0.10000E+01 volume 0.17492E+01 ppm1 9.055 ppm2 1.536
OR { 373}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 120 and name HB2 ))
ASSI { 385}
(( segid PTB and resid 210 and name HN ))
(( segid PTB and resid 210 and name HA ))
3.000 1.800 1.800 peak 385 weight 0.10000E+01 volume 0.23091E+01 ppm1 8.204 ppm2 4.420
ASSI { 396}
(( segid PTB and resid 79 and name HN ))
(( segid PTB and resid 76 and name HA ))
3.300 2.200 2.200 peak 396 weight 0.10000E+01 volume 0.12689E+01 ppm1 8.088 ppm2 3.689
ASSI { 401}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 85 and name HN ))
3.400 2.300 2.100 peak 401 weight 0.10000E+01 volume 0.97210E+00 ppm1 9.068 ppm2 9.202
ASSI { 403}
(( segid PTB and resid 138 and name HN ))
(( segid PTB and resid 139 and name HN ))
3.200 2.000 2.000 peak 403 weight 0.10000E+01 volume 0.13430E+01 ppm1 8.436 ppm2 8.814
ASSI { 414}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 123 and name HA ))
3.100 1.900 1.900 peak 414 weight 0.10000E+01 volume 0.16294E+01 ppm1 8.319 ppm2 4.292
ASSI { 418}
(( segid PTB and resid 210 and name HN ))
(( segid PTB and resid 209 and name HA ))
3.200 2.000 2.000 peak 418 weight 0.10000E+01 volume 0.15398E+01 ppm1 8.205 ppm2 4.319
ASSI { 423}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 174 and name HB2 ))
3.100 1.900 1.900 peak 423 weight 0.10000E+01 volume 0.18886E+01 ppm1 9.183 ppm2 2.505
OR { 423}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 174 and name HB1 ))
ASSI { 424}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 173 and name HG2 ))
3.300 2.200 2.200 peak 424 weight 0.10000E+01 volume 0.11891E+01 ppm1 9.182 ppm2 2.144
OR { 424}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 173 and name HG1 ))
ASSI { 425}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
3.000 1.800 1.800 peak 425 weight 0.10000E+01 volume 0.21298E+01 ppm1 9.180 ppm2 1.338
ASSI { 434}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 172 and name HD1 ))
3.000 1.800 1.800 peak 434 weight 0.10000E+01 volume 0.20303E+01 ppm1 8.689 ppm2 6.888
OR { 434}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 172 and name HE3 ))
ASSI { 451}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 72 and name HN ))
2.900 1.700 1.700 peak 451 weight 0.10000E+01 volume 0.25281E+01 ppm1 7.888 ppm2 8.258
ASSI { 461}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 92 and name HA ))
3.300 2.200 2.200 peak 461 weight 0.10000E+01 volume 0.11797E+01 ppm1 9.178 ppm2 5.019
ASSI { 463}
(( segid PTB and resid 207 and name HN ))
(( segid PTB and resid 206 and name HN ))
3.100 1.900 1.900 peak 463 weight 0.10000E+01 volume 0.16511E+01 ppm1 8.206 ppm2 8.043
ASSI { 464}
(( segid PTB and resid 207 and name HN ))
(( segid PTB and resid 207 and name HG1 ))
3.100 1.900 1.900 peak 464 weight 0.10000E+01 volume 0.17446E+01 ppm1 8.195 ppm2 1.676
OR { 464}
(( segid PTB and resid 207 and name HN ))
(( segid PTB and resid 207 and name HG2 ))
ASSI { 471}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
3.400 2.300 2.100 peak 471 weight 0.10000E+01 volume 0.94490E+00 ppm1 7.865 ppm2 0.974
ASSI { 484}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 104 and name HG1 ))
2.800 1.600 1.600 peak 484 weight 0.10000E+01 volume 0.30806E+01 ppm1 7.616 ppm2 2.410
OR { 484}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 104 and name HG2 ))
ASSI { 485}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 104 and name HB1 ))
2.400 1.200 1.200 peak 485 weight 0.10000E+01 volume 0.75821E+01 ppm1 7.617 ppm2 2.100
OR { 485}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 104 and name HB2 ))
ASSI { 487}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 106 and name HB1 ))
3.400 2.300 2.100 peak 487 weight 0.10000E+01 volume 0.11075E+01 ppm1 7.621 ppm2 1.764
ASSI { 504}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 189 and name HB1 ))
3.200 2.000 2.000 peak 504 weight 0.10000E+01 volume 0.13564E+01 ppm1 7.366 ppm2 3.297
ASSI { 509}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 188 and name HA ))
2.600 2.600 1.900 peak 509 weight 0.10000E+01 volume 0.46462E+01 ppm1 7.355 ppm2 4.730
ASSI { 520}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 130 and name HA ))
3.300 2.200 2.200 peak 520 weight 0.10000E+01 volume 0.11185E+01 ppm1 8.570 ppm2 5.365
ASSI { 521}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 133 and name HB2 ))
3.400 2.300 2.100 peak 521 weight 0.10000E+01 volume 0.10297E+01 ppm1 8.548 ppm2 2.583
OR { 521}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 133 and name HB1 ))
ASSI { 526}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 141 and name HA ))
3.400 2.300 2.100 peak 526 weight 0.10000E+01 volume 0.10579E+01 ppm1 8.860 ppm2 4.921
ASSI { 538}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 184 and name HA2 ))
3.400 2.300 2.100 peak 538 weight 0.10000E+01 volume 0.95190E+00 ppm1 6.521 ppm2 3.523
ASSI { 541}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
3.300 2.200 2.200 peak 541 weight 0.10000E+01 volume 0.12473E+01 ppm1 6.518 ppm2 0.255
ASSI { 551}
(( segid PTB and resid 71 and name HN ))
(( segid PTB and resid 69 and name HA ))
2.600 2.600 1.900 peak 551 weight 0.10000E+01 volume 0.46868E+01 ppm1 8.377 ppm2 4.734
ASSI { 553}
(( segid PTB and resid 71 and name HN ))
(( segid PTB and resid 70 and name HG2 ))
3.100 1.900 1.900 peak 553 weight 0.10000E+01 volume 0.19128E+01 ppm1 8.375 ppm2 2.396
OR { 553}
(( segid PTB and resid 71 and name HN ))
(( segid PTB and resid 70 and name HG1 ))
ASSI { 562}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 185 and name HB2 ))
3.400 2.300 2.100 peak 562 weight 0.10000E+01 volume 0.94090E+00 ppm1 6.529 ppm2 2.233
OR { 562}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 185 and name HB1 ))
ASSI { 564}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
3.300 2.200 2.200 peak 564 weight 0.10000E+01 volume 0.12978E+01 ppm1 6.513 ppm2 0.117
ASSI { 569}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 188 and name HB2 ))
3.400 2.300 2.100 peak 569 weight 0.10000E+01 volume 0.10808E+01 ppm1 7.690 ppm2 4.045
OR { 569}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 188 and name HB1 ))
ASSI { 573}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 187 and name HD11)
OR
( segid PTB and resid 187 and name HD13)
OR
( segid PTB and resid 187 and name HD12))
3.000 1.800 1.800 peak 573 weight 0.10000E+01 volume 0.20112E+01 ppm1 7.691 ppm2 -0.122
ASSI { 583}
(( segid PTB and resid 150 and name HN ))
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
3.200 2.000 2.000 peak 583 weight 0.10000E+01 volume 0.15452E+01 ppm1 8.744 ppm2 7.047
ASSI { 597}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 108 and name HA ))
3.200 2.000 2.000 peak 597 weight 0.10000E+01 volume 0.15162E+01 ppm1 8.555 ppm2 3.646
ASSI { 602}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.800 1.600 1.600 peak 602 weight 0.10000E+01 volume 0.32407E+01 ppm1 8.557 ppm2 0.423
ASSI { 605}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 126 and name HN ))
2.600 1.400 1.400 peak 605 weight 0.10000E+01 volume 0.45351E+01 ppm1 8.316 ppm2 7.939
ASSI { 611}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 118 and name HN ))
3.400 2.300 2.100 peak 611 weight 0.10000E+01 volume 0.95370E+00 ppm1 8.034 ppm2 8.982
ASSI { 612}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
3.000 1.800 1.800 peak 612 weight 0.10000E+01 volume 0.23362E+01 ppm1 8.036 ppm2 1.034
ASSI { 615}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 88 and name HA ))
3.300 2.200 2.200 peak 615 weight 0.10000E+01 volume 0.11754E+01 ppm1 8.028 ppm2 3.969
ASSI { 641}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.800 1.600 1.600 peak 641 weight 0.10000E+01 volume 0.31606E+01 ppm1 8.569 ppm2 0.631
ASSI { 642}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 123 and name HA ))
3.100 1.900 1.900 peak 642 weight 0.10000E+01 volume 0.16519E+01 ppm1 8.554 ppm2 4.299
ASSI { 646}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 112 and name HB2 ))
3.000 1.800 1.800 peak 646 weight 0.10000E+01 volume 0.20737E+01 ppm1 8.461 ppm2 3.993
ASSI { 647}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 112 and name HN ))
3.200 2.000 2.000 peak 647 weight 0.10000E+01 volume 0.14621E+01 ppm1 8.457 ppm2 7.309
ASSI { 654}
(( segid PTB and resid 68 and name HN ))
(( segid PTB and resid 68 and name HB1 ))
3.400 2.300 2.100 peak 654 weight 0.10000E+01 volume 0.99390E+00 ppm1 8.329 ppm2 1.797
ASSI { 659}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 124 and name HB1 ))
3.100 1.900 1.900 peak 659 weight 0.10000E+01 volume 0.17158E+01 ppm1 8.321 ppm2 3.996
OR { 659}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 124 and name HB2 ))
ASSI { 665}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 87 and name HD1 )
OR
( segid PTB and resid 87 and name HD2 ))
3.400 2.300 2.100 peak 665 weight 0.10000E+01 volume 0.10863E+01 ppm1 8.037 ppm2 6.448
ASSI { 687}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 114 and name HD2 ))
3.100 1.900 1.900 peak 687 weight 0.10000E+01 volume 0.18750E+01 ppm1 7.908 ppm2 3.164
OR { 687}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 114 and name HD1 ))
ASSI { 690}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
3.400 2.300 2.100 peak 690 weight 0.10000E+01 volume 0.10401E+01 ppm1 7.732 ppm2 7.047
OR { 690}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 195 and name HD1 )
OR
( segid PTB and resid 195 and name HD2 ))
ASSI { 691}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 148 and name HN ))
3.400 2.300 2.100 peak 691 weight 0.10000E+01 volume 0.95610E+00 ppm1 7.717 ppm2 9.557
ASSI { 700}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 195 and name HA ))
3.200 2.000 2.000 peak 700 weight 0.10000E+01 volume 0.14544E+01 ppm1 7.470 ppm2 4.300
ASSI { 709}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 163 and name HB ))
3.400 2.300 2.100 peak 709 weight 0.10000E+01 volume 0.10384E+01 ppm1 9.683 ppm2 1.712
ASSI { 714}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
3.000 1.800 1.800 peak 714 weight 0.10000E+01 volume 0.22935E+01 ppm1 9.563 ppm2 1.364
ASSI { 717}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 96 and name HB1 ))
3.400 2.300 2.100 peak 717 weight 0.10000E+01 volume 0.97700E+00 ppm1 9.551 ppm2 2.875
ASSI { 718}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
3.300 2.200 2.200 peak 718 weight 0.10000E+01 volume 0.13136E+01 ppm1 9.550 ppm2 0.937
ASSI { 721}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 75 and name HA ))
3.200 2.000 2.000 peak 721 weight 0.10000E+01 volume 0.13638E+01 ppm1 8.587 ppm2 4.076
ASSI { 729}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 115 and name HN ))
3.000 1.800 1.800 peak 729 weight 0.10000E+01 volume 0.22350E+01 ppm1 7.909 ppm2 8.657
ASSI { 735}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 164 and name HB2 ))
3.400 2.300 2.100 peak 735 weight 0.10000E+01 volume 0.97180E+00 ppm1 7.713 ppm2 3.049
OR { 735}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 164 and name HB1 ))
ASSI { 738}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 192 and name HA2 ))
3.200 2.000 2.000 peak 738 weight 0.10000E+01 volume 0.14701E+01 ppm1 7.479 ppm2 2.736
ASSI { 743}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
3.200 2.000 2.000 peak 743 weight 0.10000E+01 volume 0.13714E+01 ppm1 7.471 ppm2 1.433
ASSI { 750}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 199 and name HB2 ))
3.200 2.000 2.000 peak 750 weight 0.10000E+01 volume 0.14644E+01 ppm1 8.288 ppm2 1.637
OR { 750}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 199 and name HB1 ))
ASSI { 753}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 153 and name HA ))
3.200 2.000 2.000 peak 753 weight 0.10000E+01 volume 0.14946E+01 ppm1 8.255 ppm2 4.429
ASSI { 757}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 165 and name HB2 ))
3.200 2.000 2.000 peak 757 weight 0.10000E+01 volume 0.13790E+01 ppm1 8.253 ppm2 1.344
OR { 757}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 165 and name HB1 ))
ASSI { 758}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
3.000 1.800 1.800 peak 758 weight 0.10000E+01 volume 0.20150E+01 ppm1 8.249 ppm2 1.123
ASSI { 772}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 69 and name HD1 ))
3.300 2.200 2.200 peak 772 weight 0.10000E+01 volume 0.11537E+01 ppm1 7.969 ppm2 6.969
OR { 772}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 69 and name HE3 ))
ASSI { 774}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 67 and name HA ))
3.200 2.000 2.000 peak 774 weight 0.10000E+01 volume 0.15236E+01 ppm1 7.971 ppm2 4.362
ASSI { 776}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 69 and name HB2 ))
3.000 1.800 1.800 peak 776 weight 0.10000E+01 volume 0.19839E+01 ppm1 7.968 ppm2 3.195
ASSI { 779}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 70 and name HB2 ))
2.300 1.100 1.100 peak 779 weight 0.10000E+01 volume 0.10387E+02 ppm1 7.967 ppm2 2.130
ASSI { 780}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
3.000 1.800 1.800 peak 780 weight 0.10000E+01 volume 0.21103E+01 ppm1 7.970 ppm2 1.494
ASSI { 788}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
2.800 1.600 1.600 peak 788 weight 0.10000E+01 volume 0.30965E+01 ppm1 9.186 ppm2 0.731
ASSI { 789}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 162 and name HN ))
3.100 1.900 1.900 peak 789 weight 0.10000E+01 volume 0.16378E+01 ppm1 9.137 ppm2 8.129
ASSI { 799}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 202 and name HN ))
3.000 1.800 1.800 peak 799 weight 0.10000E+01 volume 0.20836E+01 ppm1 8.269 ppm2 8.007
ASSI { 800}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 200 and name HB1 ))
2.800 1.600 1.600 peak 800 weight 0.10000E+01 volume 0.32139E+01 ppm1 8.272 ppm2 2.137
ASSI { 823}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 162 and name HB1 ))
3.100 1.900 1.900 peak 823 weight 0.10000E+01 volume 0.18814E+01 ppm1 9.141 ppm2 2.670
ASSI { 833}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 183 and name HA ))
3.000 1.800 1.800 peak 833 weight 0.10000E+01 volume 0.22164E+01 ppm1 8.662 ppm2 4.591
ASSI { 839}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 181 and name HB1 ))
3.300 2.200 2.200 peak 839 weight 0.10000E+01 volume 0.12520E+01 ppm1 8.656 ppm2 1.892
OR { 839}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 181 and name HB2 ))
ASSI { 848}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 157 and name HN ))
3.300 2.200 2.200 peak 848 weight 0.10000E+01 volume 0.12057E+01 ppm1 7.685 ppm2 9.155
ASSI { 859}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 160 and name HB2 ))
3.200 2.000 2.000 peak 859 weight 0.10000E+01 volume 0.15905E+01 ppm1 7.658 ppm2 2.349
ASSI { 863}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 198 and name HA ))
2.700 1.500 1.500 peak 863 weight 0.10000E+01 volume 0.36463E+01 ppm1 8.281 ppm2 4.103
ASSI { 866}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
3.300 2.200 2.200 peak 866 weight 0.10000E+01 volume 0.12576E+01 ppm1 8.281 ppm2 1.176
ASSI { 868}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
3.400 2.300 2.100 peak 868 weight 0.10000E+01 volume 0.95200E+00 ppm1 8.233 ppm2 0.554
ASSI { 869}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 196 and name HA ))
3.400 2.300 2.100 peak 869 weight 0.10000E+01 volume 0.10183E+01 ppm1 8.217 ppm2 4.167
ASSI { 884}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 72 and name HA ))
3.100 1.900 1.900 peak 884 weight 0.10000E+01 volume 0.18439E+01 ppm1 7.909 ppm2 4.473
ASSI { 891}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 154 and name HN ))
3.400 2.300 2.100 peak 891 weight 0.10000E+01 volume 0.98470E+00 ppm1 7.694 ppm2 8.894
ASSI { 892}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 162 and name HN ))
3.300 2.200 2.200 peak 892 weight 0.10000E+01 volume 0.12189E+01 ppm1 7.664 ppm2 8.137
ASSI { 893}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 161 and name HB1 ))
3.100 1.900 1.900 peak 893 weight 0.10000E+01 volume 0.17663E+01 ppm1 7.656 ppm2 3.670
OR { 893}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 161 and name HB2 ))
ASSI { 895}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 162 and name HD1 )
OR
( segid PTB and resid 162 and name HD2 ))
3.400 2.300 2.100 peak 895 weight 0.10000E+01 volume 0.11045E+01 ppm1 7.647 ppm2 6.892
ASSI { 898}
(( segid PTB and resid 69 and name HN ))
(( segid PTB and resid 68 and name HB1 ))
3.100 1.900 1.900 peak 898 weight 0.10000E+01 volume 0.16997E+01 ppm1 8.577 ppm2 1.812
ASSI { 909}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 72 and name HB2 ))
3.200 2.000 2.000 peak 909 weight 0.10000E+01 volume 0.13939E+01 ppm1 7.907 ppm2 2.661
ASSI { 913}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 98 and name HA2 ))
3.300 2.200 2.200 peak 913 weight 0.10000E+01 volume 0.11417E+01 ppm1 6.856 ppm2 4.267
ASSI { 922}
(( segid PTB and resid 67 and name HN ))
(( segid PTB and resid 67 and name HB2 ))
3.400 2.300 2.100 peak 922 weight 0.10000E+01 volume 0.94580E+00 ppm1 8.348 ppm2 3.076
ASSI { 928}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 180 and name HB1 ))
2.900 1.700 1.700 peak 928 weight 0.10000E+01 volume 0.27327E+01 ppm1 8.258 ppm2 2.626
ASSI { 929}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 85 and name HB ))
3.400 2.300 2.100 peak 929 weight 0.10000E+01 volume 0.10290E+01 ppm1 8.254 ppm2 2.400
ASSI { 931}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
3.000 1.800 1.800 peak 931 weight 0.10000E+01 volume 0.23075E+01 ppm1 8.255 ppm2 0.921
ASSI { 935}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 69 and name HA ))
2.600 1.400 1.400 peak 935 weight 0.10000E+01 volume 0.47338E+01 ppm1 7.951 ppm2 4.733
ASSI { 947}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
3.400 2.300 2.100 peak 947 weight 0.10000E+01 volume 0.10844E+01 ppm1 9.173 ppm2 0.654
ASSI { 953}
(( segid PTB and resid 151 and name HN ))
(( segid PTB and resid 150 and name HB2 ))
2.900 1.700 1.700 peak 953 weight 0.10000E+01 volume 0.26243E+01 ppm1 8.570 ppm2 3.689
ASSI { 955}
(( segid PTB and resid 151 and name HN ))
(( segid GPPY and resid 4 and name HA1 ))
3.300 2.200 2.200 peak 955 weight 0.10000E+01 volume 0.11401E+01 ppm1 8.557 ppm2 2.479
ASSI { 956}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 101 and name HN ))
3.500 2.500 2.000 peak 956 weight 0.10000E+01 volume 0.92450E+00 ppm1 8.453 ppm2 6.852
ASSI { 958}
(( segid PTB and resid 67 and name HN ))
(( segid PTB and resid 67 and name HA ))
3.400 2.300 2.100 peak 958 weight 0.10000E+01 volume 0.95450E+00 ppm1 8.362 ppm2 4.377
ASSI { 965}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 203 and name HB2 ))
2.800 1.600 1.600 peak 965 weight 0.10000E+01 volume 0.30694E+01 ppm1 7.964 ppm2 2.177
OR { 965}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 203 and name HB1 ))
ASSI { 967}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 204 and name HG2 ))
2.900 1.700 1.700 peak 967 weight 0.10000E+01 volume 0.27222E+01 ppm1 7.952 ppm2 1.725
OR { 967}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 204 and name HG1 ))
ASSI { 968}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
3.200 2.000 2.000 peak 968 weight 0.10000E+01 volume 0.14380E+01 ppm1 9.384 ppm2 0.742
ASSI { 970}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 85 and name HN ))
3.400 2.300 2.100 peak 970 weight 0.10000E+01 volume 0.97880E+00 ppm1 9.379 ppm2 9.162
ASSI { 976}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 83 and name HB2 ))
3.400 2.300 2.100 peak 976 weight 0.10000E+01 volume 0.10867E+01 ppm1 9.381 ppm2 2.304
ASSI { 977}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
3.400 2.300 2.100 peak 977 weight 0.10000E+01 volume 0.10717E+01 ppm1 9.374 ppm2 0.925
OR { 977}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
ASSI { 980}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
3.100 1.900 1.900 peak 980 weight 0.10000E+01 volume 0.19276E+01 ppm1 8.904 ppm2 7.329
ASSI { 983}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 177 and name HB1 ))
3.200 2.000 2.000 peak 983 weight 0.10000E+01 volume 0.13747E+01 ppm1 8.909 ppm2 3.174
ASSI { 988}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
3.200 2.000 2.000 peak 988 weight 0.10000E+01 volume 0.14843E+01 ppm1 8.905 ppm2 0.934
ASSI { 989}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 178 and name HD11)
OR
( segid PTB and resid 178 and name HD13)
OR
( segid PTB and resid 178 and name HD12))
3.400 2.300 2.100 peak 989 weight 0.10000E+01 volume 0.93460E+00 ppm1 8.906 ppm2 0.786
ASSI { 991}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 88 and name HN ))
3.500 2.500 2.000 peak 991 weight 0.10000E+01 volume 0.92850E+00 ppm1 8.892 ppm2 8.347
ASSI { 1006}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.600 1.400 1.400 peak 1006 weight 0.10000E+01 volume 0.53814E+01 ppm1 8.455 ppm2 2.198
ASSI { 1023}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 103 and name HA ))
3.200 2.000 2.000 peak 1023 weight 0.10000E+01 volume 0.15746E+01 ppm1 8.177 ppm2 3.856
ASSI { 1028}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
3.200 2.000 2.000 peak 1028 weight 0.10000E+01 volume 0.13691E+01 ppm1 8.174 ppm2 1.294
ASSI { 1031}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
3.400 2.300 2.100 peak 1031 weight 0.10000E+01 volume 0.96160E+00 ppm1 7.745 ppm2 6.896
ASSI { 1041}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
2.900 1.700 1.700 peak 1041 weight 0.10000E+01 volume 0.27400E+01 ppm1 7.735 ppm2 0.274
ASSI { 1044}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 73 and name HB2 ))
3.400 2.300 2.100 peak 1044 weight 0.10000E+01 volume 0.10747E+01 ppm1 8.230 ppm2 2.271
OR { 1044}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 73 and name HB1 ))
ASSI { 1047}
(( segid PTB and resid 199 and name HN ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
3.000 1.800 1.800 peak 1047 weight 0.10000E+01 volume 0.21855E+01 ppm1 8.198 ppm2 0.932
ASSI { 1048}
(( segid PTB and resid 199 and name HN ))
(( segid PTB and resid 199 and name HG ))
3.100 1.900 1.900 peak 1048 weight 0.10000E+01 volume 0.19000E+01 ppm1 8.194 ppm2 1.814
ASSI { 1053}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 107 and name HN ))
2.700 1.500 1.500 peak 1053 weight 0.10000E+01 volume 0.37381E+01 ppm1 7.438 ppm2 7.552
ASSI { 1061}
(( segid PTB and resid 201 and name HN ))
(( segid PTB and resid 201 and name HD2 ))
3.300 2.200 2.200 peak 1061 weight 0.10000E+01 volume 0.11523E+01 ppm1 8.086 ppm2 3.180
OR { 1061}
(( segid PTB and resid 201 and name HN ))
(( segid PTB and resid 201 and name HD1 ))
ASSI { 1062}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
3.000 1.800 1.800 peak 1062 weight 0.10000E+01 volume 0.21088E+01 ppm1 8.080 ppm2 0.557
ASSI { 1066}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 77 and name HG1 ))
3.000 1.800 1.800 peak 1066 weight 0.10000E+01 volume 0.22593E+01 ppm1 8.074 ppm2 1.540
OR { 1066}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 77 and name HG2 ))
ASSI { 1074}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 107 and name HD2 ))
3.100 1.900 1.900 peak 1074 weight 0.10000E+01 volume 0.16235E+01 ppm1 7.436 ppm2 1.581
ASSI { 1080}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 85 and name HB ))
2.700 1.500 1.500 peak 1080 weight 0.10000E+01 volume 0.37191E+01 ppm1 9.164 ppm2 2.380
ASSI { 1084}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 86 and name HG1 ))
3.400 2.300 2.100 peak 1084 weight 0.10000E+01 volume 0.97290E+00 ppm1 9.164 ppm2 1.203
OR { 1084}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 86 and name HG2 ))
ASSI { 1094}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 76 and name HB ))
2.700 1.500 1.500 peak 1094 weight 0.10000E+01 volume 0.43610E+01 ppm1 8.077 ppm2 2.091
ASSI { 1095}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 131 and name HA ))
3.500 2.500 2.000 peak 1095 weight 0.10000E+01 volume 0.91710E+00 ppm1 7.272 ppm2 4.865
ASSI { 1102}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
3.100 1.900 1.900 peak 1102 weight 0.10000E+01 volume 0.17429E+01 ppm1 7.270 ppm2 0.976
ASSI { 1106}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 157 and name HG2 ))
3.400 2.300 2.100 peak 1106 weight 0.10000E+01 volume 0.10280E+01 ppm1 9.867 ppm2 2.358
OR { 1106}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 157 and name HG1 ))
ASSI { 1117}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 107 and name HD2 ))
2.700 1.500 1.500 peak 1117 weight 0.10000E+01 volume 0.42368E+01 ppm1 7.547 ppm2 1.599
ASSI { 1120}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
3.100 1.900 1.900 peak 1120 weight 0.10000E+01 volume 0.18557E+01 ppm1 7.548 ppm2 0.858
OR { 1120}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 1131}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 157 and name HB1 ))
3.300 2.200 2.200 peak 1131 weight 0.10000E+01 volume 0.11652E+01 ppm1 9.829 ppm2 2.152
ASSI { 1133}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 102 and name HN ))
3.400 2.300 2.100 peak 1133 weight 0.10000E+01 volume 0.93930E+00 ppm1 8.879 ppm2 7.094
ASSI { 1164}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 104 and name HG1 ))
2.700 2.700 1.800 peak 1164 weight 0.10000E+01 volume 0.40907E+01 ppm1 7.123 ppm2 2.361
ASSI { 1165}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
3.300 2.200 2.200 peak 1165 weight 0.10000E+01 volume 0.11217E+01 ppm1 7.119 ppm2 2.184
OR { 1165}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 99 and name HB2 ))
ASSI { 1166}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
3.300 2.200 2.200 peak 1166 weight 0.10000E+01 volume 0.12331E+01 ppm1 7.117 ppm2 1.300
ASSI { 1175}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 187 and name HD11)
OR
( segid PTB and resid 187 and name HD13)
OR
( segid PTB and resid 187 and name HD12))
3.300 2.200 2.200 peak 1175 weight 0.10000E+01 volume 0.11148E+01 ppm1 7.057 ppm2 -0.125
ASSI { 1180}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 181 and name HG1 ))
3.300 2.200 2.200 peak 1180 weight 0.10000E+01 volume 0.12784E+01 ppm1 7.050 ppm2 1.377
OR { 1180}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 181 and name HG2 ))
ASSI { 1192}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
2.900 1.700 1.700 peak 1192 weight 0.10000E+01 volume 0.26751E+01 ppm1 8.814 ppm2 1.240
ASSI { 1195}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 142 and name HN ))
3.200 2.000 2.000 peak 1195 weight 0.10000E+01 volume 0.14742E+01 ppm1 8.552 ppm2 8.804
ASSI { 1196}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 112 and name HN ))
3.400 2.300 2.100 peak 1196 weight 0.10000E+01 volume 0.11053E+01 ppm1 8.462 ppm2 7.316
ASSI { 1205}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
3.300 2.200 2.200 peak 1205 weight 0.10000E+01 volume 0.11676E+01 ppm1 8.454 ppm2 0.832
OR { 1205}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 1206}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
3.200 2.000 2.000 peak 1206 weight 0.10000E+01 volume 0.15507E+01 ppm1 8.452 ppm2 0.580
ASSI { 1207}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
3.200 2.000 2.000 peak 1207 weight 0.10000E+01 volume 0.14217E+01 ppm1 8.456 ppm2 0.411
ASSI { 1214}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 202 and name HA ))
2.600 1.400 1.400 peak 1214 weight 0.10000E+01 volume 0.51214E+01 ppm1 8.012 ppm2 4.126
ASSI { 1218}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 73 and name HA ))
3.100 1.900 1.900 peak 1218 weight 0.10000E+01 volume 0.17697E+01 ppm1 7.739 ppm2 3.860
ASSI { 1219}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
3.200 2.000 2.000 peak 1219 weight 0.10000E+01 volume 0.15855E+01 ppm1 7.732 ppm2 1.334
ASSI { 1229}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 176 and name HA2 ))
2.700 1.500 1.500 peak 1229 weight 0.10000E+01 volume 0.38027E+01 ppm1 9.157 ppm2 3.140
ASSI { 1233}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 144 and name HG12))
2.800 1.600 1.600 peak 1233 weight 0.10000E+01 volume 0.33307E+01 ppm1 8.552 ppm2 1.399
ASSI { 1255}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 166 and name HA ))
2.800 1.600 1.600 peak 1255 weight 0.10000E+01 volume 0.35790E+01 ppm1 7.351 ppm2 4.725
ASSI { 1257}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 170 and name HA ))
2.500 1.300 1.300 peak 1257 weight 0.10000E+01 volume 0.64932E+01 ppm1 7.350 ppm2 3.686
ASSI { 1263}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
3.200 2.000 2.000 peak 1263 weight 0.10000E+01 volume 0.13841E+01 ppm1 7.355 ppm2 1.167
ASSI { 1265}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 173 and name HG1 ))
3.400 2.300 2.100 peak 1265 weight 0.10000E+01 volume 0.10154E+01 ppm1 7.336 ppm2 2.180
OR { 1265}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 173 and name HG2 ))
ASSI { 1266}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
3.200 2.000 2.000 peak 1266 weight 0.10000E+01 volume 0.14158E+01 ppm1 7.342 ppm2 1.798
ASSI { 1268}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
3.400 2.300 2.100 peak 1268 weight 0.10000E+01 volume 0.98560E+00 ppm1 9.144 ppm2 0.471
ASSI { 1277}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 94 and name HB2 ))
3.400 2.300 2.100 peak 1277 weight 0.10000E+01 volume 0.10790E+01 ppm1 7.185 ppm2 3.574
ASSI { 1281}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 94 and name HB1 ))
3.200 2.000 2.000 peak 1281 weight 0.10000E+01 volume 0.13923E+01 ppm1 7.180 ppm2 2.716
ASSI { 1292}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 175 and name HA ))
3.300 2.200 2.200 peak 1292 weight 0.10000E+01 volume 0.11981E+01 ppm1 8.349 ppm2 4.622
ASSI { 1294}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 91 and name HB ))
3.300 2.200 2.200 peak 1294 weight 0.10000E+01 volume 0.13117E+01 ppm1 8.353 ppm2 1.939
ASSI { 1297}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
3.300 2.200 2.200 peak 1297 weight 0.10000E+01 volume 0.12463E+01 ppm1 8.352 ppm2 1.322
ASSI { 1300}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
3.000 1.800 1.800 peak 1300 weight 0.10000E+01 volume 0.19642E+01 ppm1 8.351 ppm2 0.425
OR { 1300}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
ASSI { 1308}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 170 and name HD2 ))
3.100 1.900 1.900 peak 1308 weight 0.10000E+01 volume 0.18056E+01 ppm1 7.934 ppm2 3.135
OR { 1308}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 170 and name HD1 ))
ASSI { 1317}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 170 and name HB2 ))
3.000 1.800 1.800 peak 1317 weight 0.10000E+01 volume 0.19873E+01 ppm1 7.931 ppm2 1.927
OR { 1317}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 170 and name HB1 ))
ASSI { 1320}
(( segid PTB and resid 181 and name HN ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
3.300 2.200 2.200 peak 1320 weight 0.10000E+01 volume 0.12395E+01 ppm1 9.385 ppm2 1.599
ASSI { 1321}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 143 and name HA ))
3.300 2.200 2.200 peak 1321 weight 0.10000E+01 volume 0.11316E+01 ppm1 8.587 ppm2 4.604
ASSI { 1322}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 143 and name HB ))
3.200 2.000 2.000 peak 1322 weight 0.10000E+01 volume 0.15292E+01 ppm1 8.587 ppm2 4.392
ASSI { 1325}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 136 and name HD1 ))
3.400 2.300 2.100 peak 1325 weight 0.10000E+01 volume 0.95510E+00 ppm1 8.069 ppm2 1.552
ASSI { 1334}
(( segid PTB and resid 181 and name HN ))
(( segid PTB and resid 180 and name HA ))
3.300 2.200 2.200 peak 1334 weight 0.10000E+01 volume 0.13309E+01 ppm1 9.386 ppm2 4.251
ASSI { 1335}
(( segid PTB and resid 181 and name HN ))
(( segid PTB and resid 180 and name HB1 ))
3.200 2.000 2.000 peak 1335 weight 0.10000E+01 volume 0.15448E+01 ppm1 9.384 ppm2 2.625
ASSI { 1336}
(( segid PTB and resid 181 and name HN ))
(( segid PTB and resid 181 and name HG1 ))
3.000 1.800 1.800 peak 1336 weight 0.10000E+01 volume 0.20175E+01 ppm1 9.382 ppm2 1.372
ASSI { 1337}
(( segid PTB and resid 181 and name HN ))
(( segid PTB and resid 180 and name HB2 ))
3.300 2.200 2.200 peak 1337 weight 0.10000E+01 volume 0.12219E+01 ppm1 9.371 ppm2 3.195
ASSI { 1348}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
3.200 2.000 2.000 peak 1348 weight 0.10000E+01 volume 0.13576E+01 ppm1 8.247 ppm2 1.561
ASSI { 1372}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 111 and name HB2 ))
2.400 1.200 1.200 peak 1372 weight 0.10000E+01 volume 0.86026E+01 ppm1 7.513 ppm2 2.090
ASSI { 1377}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 123 and name HB ))
3.300 2.200 2.200 peak 1377 weight 0.10000E+01 volume 0.12991E+01 ppm1 8.570 ppm2 1.817
ASSI { 1383}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 192 and name HA2 ))
3.400 2.300 2.100 peak 1383 weight 0.10000E+01 volume 0.10260E+01 ppm1 8.256 ppm2 2.748
ASSI { 1385}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 196 and name HN ))
2.600 1.400 1.400 peak 1385 weight 0.10000E+01 volume 0.55286E+01 ppm1 8.247 ppm2 7.497
ASSI { 1391}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 191 and name HA ))
3.500 2.500 2.000 peak 1391 weight 0.10000E+01 volume 0.91730E+00 ppm1 8.246 ppm2 2.984
ASSI { 1398}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 82 and name HN ))
3.400 2.300 2.100 peak 1398 weight 0.10000E+01 volume 0.10731E+01 ppm1 8.570 ppm2 8.017
ASSI { 1402}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
3.300 2.200 2.200 peak 1402 weight 0.10000E+01 volume 0.13162E+01 ppm1 8.572 ppm2 0.702
ASSI { 1422}
(( segid PTB and resid 94 and name HN ))
(( segid PTB and resid 94 and name HB2 ))
3.000 1.800 1.800 peak 1422 weight 0.10000E+01 volume 0.20524E+01 ppm1 8.709 ppm2 3.571
ASSI { 1426}
(( segid PTB and resid 94 and name HN ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
3.200 2.000 2.000 peak 1426 weight 0.10000E+01 volume 0.14997E+01 ppm1 8.713 ppm2 0.653
ASSI { 1436}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 188 and name HA ))
3.100 1.900 1.900 peak 1436 weight 0.10000E+01 volume 0.17979E+01 ppm1 8.070 ppm2 4.731
ASSI { 1441}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
3.400 2.300 2.100 peak 1441 weight 0.10000E+01 volume 0.10458E+01 ppm1 8.068 ppm2 1.448
ASSI { 1457}
(( segid PTB and resid 206 and name HN ))
(( segid PTB and resid 206 and name HA ))
2.500 1.300 1.300 peak 1457 weight 0.10000E+01 volume 0.57873E+01 ppm1 8.058 ppm2 4.294
OR { 1457}
(( segid PTB and resid 206 and name HN ))
(( segid PTB and resid 206 and name HB ))
ASSI { 1459}
(( segid PTB and resid 206 and name HN ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
3.100 1.900 1.900 peak 1459 weight 0.10000E+01 volume 0.17067E+01 ppm1 8.057 ppm2 1.243
ASSI { 1467}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 154 and name HA ))
2.900 1.700 1.700 peak 1467 weight 0.10000E+01 volume 0.23858E+01 ppm1 8.744 ppm2 4.101
ASSI { 1473}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 112 and name HA ))
2.300 1.100 1.100 peak 1473 weight 0.10000E+01 volume 0.12011E+02 ppm1 7.309 ppm2 4.308
ASSI { 1476}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 110 and name HB1 ))
3.400 2.300 2.100 peak 1476 weight 0.10000E+01 volume 0.10971E+01 ppm1 7.315 ppm2 1.860
OR { 1476}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 110 and name HB2 ))
ASSI { 1483}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 124 and name HA ))
3.200 2.000 2.000 peak 1483 weight 0.10000E+01 volume 0.14908E+01 ppm1 7.913 ppm2 5.160
ASSI { 1493}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 111 and name HB2 ))
2.800 1.600 1.600 peak 1493 weight 0.10000E+01 volume 0.29976E+01 ppm1 7.311 ppm2 2.097
ASSI { 1503}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 98 and name HN ))
3.300 2.200 2.200 peak 1503 weight 0.10000E+01 volume 0.11471E+01 ppm1 6.825 ppm2 3.130
ASSI { 1511}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
3.100 1.900 1.900 peak 1511 weight 0.10000E+01 volume 0.16230E+01 ppm1 6.829 ppm2 0.608
ASSI { 1547}
(( segid PTB and resid 158 and name HE ))
(( segid PTB and resid 158 and name HG1 ))
3.400 2.300 2.100 peak 1547 weight 0.10000E+01 volume 0.96840E+00 ppm1 7.251 ppm2 1.802
OR { 1547}
(( segid PTB and resid 158 and name HE ))
(( segid PTB and resid 158 and name HG2 ))
OR { 1547}
(( segid PTB and resid 158 and name HE ))
(( segid PTB and resid 158 and name HB1 ))
OR { 1547}
(( segid PTB and resid 158 and name HE ))
(( segid PTB and resid 158 and name HB2 ))
ASSI { 1550}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 120 and name HN ))
3.300 2.200 2.200 peak 1550 weight 0.10000E+01 volume 0.11266E+01 ppm1 9.107 ppm2 8.556
ASSI { 1554}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 118 and name HB2 ))
3.000 1.800 1.800 peak 1554 weight 0.10000E+01 volume 0.21817E+01 ppm1 9.112 ppm2 2.029
ASSI { 1555}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 118 and name HB1 ))
3.100 1.900 1.900 peak 1555 weight 0.10000E+01 volume 0.18138E+01 ppm1 9.109 ppm2 1.810
ASSI { 1569}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 147 and name HB ))
3.500 2.500 2.000 peak 1569 weight 0.10000E+01 volume 0.90000E+00 ppm1 6.647 ppm2 2.386
ASSI { 1574}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 146 and name HB2 ))
3.000 1.800 1.800 peak 1574 weight 0.10000E+01 volume 0.23741E+01 ppm1 6.639 ppm2 1.453
OR { 1574}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 146 and name HB1 ))
ASSI { 1576}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
3.000 1.800 1.800 peak 1576 weight 0.10000E+01 volume 0.20976E+01 ppm1 6.638 ppm2 1.190
ASSI { 1583}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 145 and name HB1 ))
3.300 2.200 2.200 peak 1583 weight 0.10000E+01 volume 0.12827E+01 ppm1 6.648 ppm2 2.116
ASSI { 1586}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 145 and name HB2 ))
3.200 2.000 2.000 peak 1586 weight 0.10000E+01 volume 0.13462E+01 ppm1 6.640 ppm2 2.012
ASSI { 1622}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 75 and name HA ))
2.400 1.200 1.200 peak 1622 weight 0.10000E+01 volume 0.77182E+01 ppm1 8.026 ppm2 4.082
ASSI { 1626}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 77 and name HB1 ))
3.300 2.200 2.200 peak 1626 weight 0.10000E+01 volume 0.12508E+01 ppm1 8.025 ppm2 1.736
ASSI { 1628}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
3.400 2.300 2.100 peak 1628 weight 0.10000E+01 volume 0.98650E+00 ppm1 8.029 ppm2 1.335
ASSI { 1644}
(( segid PTB and resid 68 and name HE21))
(( segid PTB and resid 68 and name HE22))
1.800 0.600 0.600 peak 1644 weight 0.10000E+01 volume 0.47056E+02 ppm1 7.131 ppm2 6.812
ASSI { 1657}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 176 and name HA1 ))
3.500 2.500 2.000 peak 1657 weight 0.10000E+01 volume 0.90400E+00 ppm1 8.126 ppm2 4.905
ASSI { 1660}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 162 and name HD1 )
OR
( segid PTB and resid 162 and name HD2 ))
2.900 1.700 1.700 peak 1660 weight 0.10000E+01 volume 0.27829E+01 ppm1 8.119 ppm2 6.887
ASSI { 1671}
(( segid PTB and resid 68 and name HE21))
(( segid PTB and resid 68 and name HG2 ))
2.900 1.700 1.700 peak 1671 weight 0.10000E+01 volume 0.25786E+01 ppm1 7.130 ppm2 2.026
OR { 1671}
(( segid PTB and resid 68 and name HE21))
(( segid PTB and resid 68 and name HG1 ))
ASSI { 1678}
(( segid PTB and resid 68 and name HE22))
(( segid PTB and resid 68 and name HG1 ))
3.000 1.800 1.800 peak 1678 weight 0.10000E+01 volume 0.19726E+01 ppm1 6.815 ppm2 2.010
OR { 1678}
(( segid PTB and resid 68 and name HE22))
(( segid PTB and resid 68 and name HG2 ))
ASSI { 1686}
(( segid PTB and resid 203 and name HE21))
(( segid PTB and resid 203 and name HE22))
1.600 0.500 0.600 peak 1686 weight 0.10000E+01 volume 0.10179E+03 ppm1 7.472 ppm2 6.875
ASSI { 1688}
(( segid PTB and resid 203 and name HE21))
(( segid PTB and resid 203 and name HG2 ))
3.000 1.800 1.800 peak 1688 weight 0.10000E+01 volume 0.23319E+01 ppm1 7.471 ppm2 2.493
OR { 1688}
(( segid PTB and resid 203 and name HE21))
(( segid PTB and resid 203 and name HG1 ))
ASSI { 1704}
(( segid PTB and resid 203 and name HE22))
(( segid PTB and resid 203 and name HG2 ))
3.300 2.200 2.200 peak 1704 weight 0.10000E+01 volume 0.11773E+01 ppm1 6.877 ppm2 2.489
OR { 1704}
(( segid PTB and resid 203 and name HE22))
(( segid PTB and resid 203 and name HG1 ))
ASSI { 1712}
(( segid PTB and resid 183 and name HN ))
(( segid PTB and resid 182 and name HN ))
3.200 2.000 2.000 peak 1712 weight 0.10000E+01 volume 0.13533E+01 ppm1 8.322 ppm2 7.051
ASSI { 1714}
(( segid PTB and resid 183 and name HN ))
(( segid PTB and resid 158 and name HA ))
3.000 1.800 1.800 peak 1714 weight 0.10000E+01 volume 0.23511E+01 ppm1 8.326 ppm2 4.730
ASSI { 1718}
(( segid PTB and resid 183 and name HN ))
(( segid PTB and resid 182 and name HB2 ))
2.600 2.600 1.900 peak 1718 weight 0.10000E+01 volume 0.54408E+01 ppm1 8.321 ppm2 2.412
ASSI { 1740}
(( segid PTB and resid 97 and name HE ))
(( segid PTB and resid 97 and name HB1 ))
3.300 2.200 2.200 peak 1740 weight 0.10000E+01 volume 0.11923E+01 ppm1 7.150 ppm2 1.066
ASSI { 1756}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 185 and name HA ))
3.100 1.900 1.900 peak 1756 weight 0.10000E+01 volume 0.19000E+01 ppm1 7.733 ppm2 3.947
ASSI { 1758}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 187 and name HA ))
3.100 1.900 1.900 peak 1758 weight 0.10000E+01 volume 0.16756E+01 ppm1 7.730 ppm2 2.678
ASSI { 1759}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 184 and name HA2 ))
3.400 2.300 2.100 peak 1759 weight 0.10000E+01 volume 0.95520E+00 ppm1 7.723 ppm2 3.494
ASSI { 1761}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
3.400 2.300 2.100 peak 1761 weight 0.10000E+01 volume 0.10946E+01 ppm1 7.720 ppm2 0.116
ASSI { 1765}
(( segid PTB and resid 111 and name HE21))
(( segid PTB and resid 111 and name HG2 ))
3.300 2.200 2.200 peak 1765 weight 0.10000E+01 volume 0.11133E+01 ppm1 7.349 ppm2 2.409
ASSI { 1766}
(( segid PTB and resid 170 and name HE ))
(( segid PTB and resid 171 and name HN ))
3.400 2.300 2.100 peak 1766 weight 0.10000E+01 volume 0.10848E+01 ppm1 7.207 ppm2 7.352
ASSI { 1773}
(( segid PTB and resid 111 and name HE22))
(( segid PTB and resid 111 and name HE21))
1.600 0.500 0.600 peak 1773 weight 0.10000E+01 volume 0.87876E+02 ppm1 6.830 ppm2 7.348
ASSI { 1788}
(( segid PTB and resid 111 and name HE21))
(( segid PTB and resid 111 and name HG1 ))
3.300 2.200 2.200 peak 1788 weight 0.10000E+01 volume 0.13157E+01 ppm1 7.349 ppm2 2.574
ASSI { 1803}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
3.400 2.300 2.100 peak 1803 weight 0.10000E+01 volume 0.93150E+00 ppm1 7.899 ppm2 0.790
ASSI { 1812}
(( segid PTB and resid 169 and name HN ))
(( segid PTB and resid 170 and name HA ))
3.400 2.300 2.100 peak 1812 weight 0.10000E+01 volume 0.10994E+01 ppm1 7.585 ppm2 3.689
ASSI { 1822}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
3.500 2.500 2.000 peak 1822 weight 0.10000E+01 volume 0.91220E+00 ppm1 7.585 ppm2 0.853
OR { 1822}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1828}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 96 and name HB1 ))
3.000 1.800 1.800 peak 1828 weight 0.10000E+01 volume 0.19555E+01 ppm1 7.576 ppm2 2.823
ASSI { 1830}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 95 and name HB1 ))
2.900 1.700 1.700 peak 1830 weight 0.10000E+01 volume 0.27770E+01 ppm1 7.578 ppm2 1.639
ASSI { 1832}
(( segid PTB and resid 169 and name HN ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
2.500 1.300 1.300 peak 1832 weight 0.10000E+01 volume 0.57971E+01 ppm1 7.576 ppm2 1.186
ASSI { 1836}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 158 and name HB2 ))
3.200 2.000 2.000 peak 1836 weight 0.10000E+01 volume 0.13770E+01 ppm1 9.430 ppm2 1.804
OR { 1836}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 158 and name HG2 ))
OR { 1836}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 158 and name HG1 ))
OR { 1836}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 158 and name HB1 ))
ASSI { 1838}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 183 and name HN ))
3.400 2.300 2.100 peak 1838 weight 0.10000E+01 volume 0.97350E+00 ppm1 9.420 ppm2 8.307
ASSI { 1840}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 185 and name HB1 ))
3.300 2.200 2.200 peak 1840 weight 0.10000E+01 volume 0.11509E+01 ppm1 9.422 ppm2 2.240
OR { 1840}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 185 and name HB2 ))
ASSI { 1856}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 190 and name HN ))
3.300 2.200 2.200 peak 1856 weight 0.10000E+01 volume 0.11415E+01 ppm1 8.337 ppm2 7.368
ASSI { 1858}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 125 and name HN ))
3.400 2.300 2.100 peak 1858 weight 0.10000E+01 volume 0.10440E+01 ppm1 7.544 ppm2 9.126
ASSI { 1863}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 126 and name HA ))
2.700 1.500 1.500 peak 1863 weight 0.10000E+01 volume 0.40242E+01 ppm1 7.545 ppm2 4.796
ASSI { 1866}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 126 and name HB2 ))
2.900 1.700 1.700 peak 1866 weight 0.10000E+01 volume 0.26917E+01 ppm1 7.545 ppm2 2.707
ASSI { 1869}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
3.200 2.000 2.000 peak 1869 weight 0.10000E+01 volume 0.15189E+01 ppm1 7.545 ppm2 1.163
ASSI { 1871}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 195 and name HD1 )
OR
( segid PTB and resid 195 and name HD2 ))
3.100 1.900 1.900 peak 1871 weight 0.10000E+01 volume 0.19388E+01 ppm1 8.345 ppm2 7.018
OR { 1871}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
ASSI { 1872}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
3.500 2.500 2.000 peak 1872 weight 0.10000E+01 volume 0.91450E+00 ppm1 8.345 ppm2 1.457
ASSI { 1881}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
3.100 1.900 1.900 peak 1881 weight 0.10000E+01 volume 0.17796E+01 ppm1 8.338 ppm2 0.668
ASSI { 1894}
(( segid PTB and resid 80 and name HN ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
3.300 2.200 2.200 peak 1894 weight 0.10000E+01 volume 0.11536E+01 ppm1 8.609 ppm2 1.346
ASSI { 1901}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 132 and name HN ))
3.200 2.000 2.000 peak 1901 weight 0.10000E+01 volume 0.15729E+01 ppm1 8.376 ppm2 8.887
ASSI { 1910}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
3.200 2.000 2.000 peak 1910 weight 0.10000E+01 volume 0.13579E+01 ppm1 8.382 ppm2 1.248
ASSI { 1911}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
3.000 1.800 1.800 peak 1911 weight 0.10000E+01 volume 0.22392E+01 ppm1 8.377 ppm2 0.801
ASSI { 1916}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 136 and name HA ))
3.100 1.900 1.900 peak 1916 weight 0.10000E+01 volume 0.19335E+01 ppm1 8.093 ppm2 4.087
ASSI { 1917}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 134 and name HG1 ))
3.300 2.200 2.200 peak 1917 weight 0.10000E+01 volume 0.12984E+01 ppm1 8.094 ppm2 2.404
OR { 1917}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 134 and name HG2 ))
ASSI { 1920}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 137 and name HN ))
3.500 2.500 2.000 peak 1920 weight 0.10000E+01 volume 0.91970E+00 ppm1 8.082 ppm2 8.388
ASSI { 1921}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 132 and name HB1 ))
3.400 2.300 2.100 peak 1921 weight 0.10000E+01 volume 0.10207E+01 ppm1 8.088 ppm2 2.970
ASSI { 1926}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 158 and name HA ))
2.900 1.700 1.700 peak 1926 weight 0.10000E+01 volume 0.27056E+01 ppm1 8.477 ppm2 4.733
ASSI { 1927}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 157 and name HA ))
3.200 2.000 2.000 peak 1927 weight 0.10000E+01 volume 0.13492E+01 ppm1 8.476 ppm2 4.438
ASSI { 1934}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 158 and name HB1 ))
3.200 2.000 2.000 peak 1934 weight 0.10000E+01 volume 0.15335E+01 ppm1 8.471 ppm2 1.846
OR { 1934}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 158 and name HB2 ))
OR { 1934}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 158 and name HG1 ))
OR { 1934}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 158 and name HG2 ))
ASSI { 1936}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 136 and name HB2 ))
3.400 2.300 2.100 peak 1936 weight 0.10000E+01 volume 0.99860E+00 ppm1 8.394 ppm2 2.206
ASSI { 1947}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 177 and name HN ))
3.500 2.500 2.000 peak 1947 weight 0.10000E+01 volume 0.93110E+00 ppm1 7.996 ppm2 9.160
ASSI { 1959}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 175 and name HB1 ))
3.300 2.200 2.200 peak 1959 weight 0.10000E+01 volume 0.12208E+01 ppm1 7.998 ppm2 1.803
ASSI { 1970}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 123 and name HA ))
2.800 1.600 1.600 peak 1970 weight 0.10000E+01 volume 0.33281E+01 ppm1 9.135 ppm2 4.363
ASSI { 2121}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 97 and name HB1 ))
3.100 1.900 1.900 peak 2121 weight 0.10000E+01 volume 0.17699E+01 ppm1 3.156 ppm2 1.102
ASSI { 2122}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
3.800 2.900 1.700 peak 2122 weight 0.10000E+01 volume 0.56370E+00 ppm1 3.154 ppm2 0.844
ASSI { 2123}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
3.200 2.000 2.000 peak 2123 weight 0.10000E+01 volume 0.13377E+01 ppm1 3.148 ppm2 0.605
ASSI { 2128}
(( segid PTB and resid 89 and name HN ))
(( segid PTB and resid 87 and name HE1 )
OR
( segid PTB and resid 87 and name HE2 ))
3.400 2.300 2.100 peak 2128 weight 0.10000E+01 volume 0.10372E+01 ppm1 5.128 ppm2 6.593
ASSI { 2129}
(( segid PTB and resid 89 and name HN ))
(( segid PTB and resid 176 and name HA1 ))
3.300 2.200 2.200 peak 2129 weight 0.10000E+01 volume 0.12134E+01 ppm1 5.124 ppm2 4.908
ASSI { 2141}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 165 and name HG2 ))
2.800 1.600 1.600 peak 2141 weight 0.10000E+01 volume 0.33288E+01 ppm1 8.259 ppm2 0.946
OR { 2141}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 165 and name HG1 ))
ASSI { 2145}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
2.800 1.600 1.600 peak 2145 weight 0.10000E+01 volume 0.35035E+01 ppm1 8.287 ppm2 1.001
ASSI { 2150}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 180 and name HB2 ))
2.900 1.700 1.700 peak 2150 weight 0.10000E+01 volume 0.24468E+01 ppm1 8.255 ppm2 3.205
ASSI { 2151}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 173 and name HB1 ))
3.600 2.600 1.900 peak 2151 weight 0.10000E+01 volume 0.74590E+00 ppm1 9.168 ppm2 1.681
ASSI { 2152}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 171 and name HD2 ))
3.500 2.500 2.000 peak 2152 weight 0.10000E+01 volume 0.82250E+00 ppm1 9.156 ppm2 3.130
OR { 2152}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 171 and name HD1 ))
ASSI { 2153}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 171 and name HD1 ))
3.500 2.500 2.000 peak 2153 weight 0.10000E+01 volume 0.81350E+00 ppm1 8.263 ppm2 3.130
OR { 2153}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 171 and name HD2 ))
ASSI { 2158}
(( segid PTB and resid 68 and name HN ))
(( segid PTB and resid 67 and name HB1 ))
3.600 2.600 1.900 peak 2158 weight 0.10000E+01 volume 0.75920E+00 ppm1 8.363 ppm2 3.021
ASSI { 2159}
(( segid PTB and resid 68 and name HN ))
(( segid PTB and resid 67 and name HB2 ))
3.600 2.600 1.900 peak 2159 weight 0.10000E+01 volume 0.75360E+00 ppm1 8.361 ppm2 3.089
ASSI { 2162}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
3.500 2.500 2.000 peak 2162 weight 0.10000E+01 volume 0.86630E+00 ppm1 8.322 ppm2 1.236
ASSI { 2164}
(( segid PTB and resid 69 and name HN ))
(( segid PTB and resid 70 and name HB2 ))
3.600 2.600 1.900 peak 2164 weight 0.10000E+01 volume 0.66880E+00 ppm1 8.571 ppm2 2.111
ASSI { 2166}
(( segid PTB and resid 99 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
3.600 2.600 1.900 peak 2166 weight 0.10000E+01 volume 0.77140E+00 ppm1 9.096 ppm2 0.853
OR { 2166}
(( segid PTB and resid 99 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 2170}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 103 and name HA ))
3.700 2.700 1.800 peak 2170 weight 0.10000E+01 volume 0.64630E+00 ppm1 7.107 ppm2 3.867
ASSI { 2171}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 99 and name HG1 ))
3.500 2.500 2.000 peak 2171 weight 0.10000E+01 volume 0.82470E+00 ppm1 7.135 ppm2 2.628
ASSI { 2172}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
3.600 2.600 1.900 peak 2172 weight 0.10000E+01 volume 0.71270E+00 ppm1 7.119 ppm2 0.598
ASSI { 2174}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
3.600 2.600 1.900 peak 2174 weight 0.10000E+01 volume 0.72070E+00 ppm1 7.033 ppm2 0.122
ASSI { 2175}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 105 and name HN ))
3.600 2.600 1.900 peak 2175 weight 0.10000E+01 volume 0.74100E+00 ppm1 8.444 ppm2 7.601
ASSI { 2177}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 102 and name HN ))
3.800 2.900 1.700 peak 2177 weight 0.10000E+01 volume 0.55030E+00 ppm1 8.170 ppm2 7.106
ASSI { 2178}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 101 and name HN ))
3.700 2.700 1.800 peak 2178 weight 0.10000E+01 volume 0.61530E+00 ppm1 8.165 ppm2 6.853
ASSI { 2179}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
3.300 2.200 2.200 peak 2179 weight 0.10000E+01 volume 0.11195E+01 ppm1 8.175 ppm2 0.844
OR { 2179}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
ASSI { 2182}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 102 and name HA ))
3.600 2.600 1.900 peak 2182 weight 0.10000E+01 volume 0.68020E+00 ppm1 8.513 ppm2 4.172
ASSI { 2183}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
3.500 2.500 2.000 peak 2183 weight 0.10000E+01 volume 0.78610E+00 ppm1 8.524 ppm2 0.457
ASSI { 2187}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 108 and name HB ))
3.500 2.500 2.000 peak 2187 weight 0.10000E+01 volume 0.84320E+00 ppm1 7.542 ppm2 2.266
ASSI { 2188}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
3.700 2.700 1.800 peak 2188 weight 0.10000E+01 volume 0.63050E+00 ppm1 7.445 ppm2 0.432
ASSI { 2189}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 110 and name HN ))
3.000 1.800 1.800 peak 2189 weight 0.10000E+01 volume 0.20369E+01 ppm1 8.554 ppm2 8.440
ASSI { 2190}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 121 and name HA ))
3.600 2.600 1.900 peak 2190 weight 0.10000E+01 volume 0.67990E+00 ppm1 8.563 ppm2 5.085
ASSI { 2191}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 111 and name HA ))
3.600 2.600 1.900 peak 2191 weight 0.10000E+01 volume 0.75220E+00 ppm1 8.448 ppm2 4.382
ASSI { 2193}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 110 and name HD1 ))
3.700 2.700 1.800 peak 2193 weight 0.10000E+01 volume 0.63960E+00 ppm1 8.450 ppm2 2.974
ASSI { 2194}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 111 and name HG1 ))
3.700 2.700 1.800 peak 2194 weight 0.10000E+01 volume 0.58380E+00 ppm1 8.461 ppm2 2.569
ASSI { 2195}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 111 and name HB1 ))
3.600 2.600 1.900 peak 2195 weight 0.10000E+01 volume 0.75330E+00 ppm1 8.443 ppm2 2.221
ASSI { 2197}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 110 and name HG1 ))
3.600 2.600 1.900 peak 2197 weight 0.10000E+01 volume 0.67730E+00 ppm1 7.516 ppm2 1.430
OR { 2197}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 110 and name HG2 ))
ASSI { 2199}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
3.600 2.600 1.900 peak 2199 weight 0.10000E+01 volume 0.73190E+00 ppm1 7.506 ppm2 0.913
ASSI { 2201}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 111 and name HG2 ))
3.500 2.500 2.000 peak 2201 weight 0.10000E+01 volume 0.88760E+00 ppm1 7.305 ppm2 2.411
ASSI { 2202}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 111 and name HG1 ))
3.700 2.700 1.800 peak 2202 weight 0.10000E+01 volume 0.58760E+00 ppm1 7.313 ppm2 2.549
ASSI { 2203}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 108 and name HA ))
3.800 2.900 1.700 peak 2203 weight 0.10000E+01 volume 0.53610E+00 ppm1 7.325 ppm2 3.655
ASSI { 2205}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
3.600 2.600 1.900 peak 2205 weight 0.10000E+01 volume 0.66930E+00 ppm1 7.306 ppm2 0.903
ASSI { 2206}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
3.500 2.500 2.000 peak 2206 weight 0.10000E+01 volume 0.79590E+00 ppm1 7.307 ppm2 0.423
ASSI { 2207}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 113 and name HD2 ))
3.500 2.500 2.000 peak 2207 weight 0.10000E+01 volume 0.79180E+00 ppm1 8.463 ppm2 3.191
OR { 2207}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 113 and name HD1 ))
ASSI { 2208}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 112 and name HN ))
3.500 2.500 2.000 peak 2208 weight 0.10000E+01 volume 0.84990E+00 ppm1 7.904 ppm2 7.312
ASSI { 2212}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 86 and name HA ))
3.600 2.600 1.900 peak 2212 weight 0.10000E+01 volume 0.73470E+00 ppm1 8.031 ppm2 4.979
ASSI { 2213}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
3.600 2.600 1.900 peak 2213 weight 0.10000E+01 volume 0.70620E+00 ppm1 8.026 ppm2 0.862
ASSI { 2216}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 87 and name HN ))
3.600 2.600 1.900 peak 2216 weight 0.10000E+01 volume 0.77690E+00 ppm1 9.123 ppm2 9.669
ASSI { 2217}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 132 and name HA ))
3.500 2.500 2.000 peak 2217 weight 0.10000E+01 volume 0.81300E+00 ppm1 9.120 ppm2 4.474
ASSI { 2218}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 118 and name HD2 ))
3.700 2.700 1.800 peak 2218 weight 0.10000E+01 volume 0.61440E+00 ppm1 9.106 ppm2 3.264
OR { 2218}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 118 and name HD1 ))
ASSI { 2222}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 83 and name HB1 ))
3.700 2.700 1.800 peak 2222 weight 0.10000E+01 volume 0.63790E+00 ppm1 9.053 ppm2 2.927
ASSI { 2223}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 83 and name HB2 ))
3.600 2.600 1.900 peak 2223 weight 0.10000E+01 volume 0.68350E+00 ppm1 9.074 ppm2 2.319
ASSI { 2224}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 121 and name HN ))
3.500 2.500 2.000 peak 2224 weight 0.10000E+01 volume 0.81560E+00 ppm1 9.843 ppm2 9.037
ASSI { 2225}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 131 and name HN ))
3.500 2.500 2.000 peak 2225 weight 0.10000E+01 volume 0.81080E+00 ppm1 9.798 ppm2 8.735
ASSI { 2229}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 122 and name HN ))
3.500 2.500 2.000 peak 2229 weight 0.10000E+01 volume 0.87720E+00 ppm1 8.302 ppm2 9.815
ASSI { 2230}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 82 and name HB2 ))
3.600 2.600 1.900 peak 2230 weight 0.10000E+01 volume 0.78340E+00 ppm1 8.318 ppm2 3.423
ASSI { 2231}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 81 and name HB2 ))
3.700 2.700 1.800 peak 2231 weight 0.10000E+01 volume 0.59800E+00 ppm1 8.319 ppm2 2.228
ASSI { 2235}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 124 and name HN ))
3.700 2.700 1.800 peak 2235 weight 0.10000E+01 volume 0.59640E+00 ppm1 9.130 ppm2 8.308
ASSI { 2236}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 76 and name HB ))
3.500 2.500 2.000 peak 2236 weight 0.10000E+01 volume 0.82000E+00 ppm1 9.126 ppm2 2.110
ASSI { 2237}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
3.700 2.700 1.800 peak 2237 weight 0.10000E+01 volume 0.61570E+00 ppm1 9.130 ppm2 1.259
ASSI { 2238}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 144 and name HB ))
3.600 2.600 1.900 peak 2238 weight 0.10000E+01 volume 0.68680E+00 ppm1 7.915 ppm2 1.623
ASSI { 2239}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
3.600 2.600 1.900 peak 2239 weight 0.10000E+01 volume 0.72600E+00 ppm1 7.925 ppm2 0.562
ASSI { 2240}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 124 and name HA ))
3.600 2.600 1.900 peak 2240 weight 0.10000E+01 volume 0.67100E+00 ppm1 7.538 ppm2 5.165
ASSI { 2242}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
3.500 2.500 2.000 peak 2242 weight 0.10000E+01 volume 0.83780E+00 ppm1 7.542 ppm2 0.563
ASSI { 2249}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 129 and name HN ))
3.500 2.500 2.000 peak 2249 weight 0.10000E+01 volume 0.84900E+00 ppm1 8.875 ppm2 8.559
ASSI { 2250}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 140 and name HA ))
3.700 2.700 1.800 peak 2250 weight 0.10000E+01 volume 0.65620E+00 ppm1 8.866 ppm2 4.087
ASSI { 2252}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 122 and name HD2 ))
3.500 2.500 2.000 peak 2252 weight 0.10000E+01 volume 0.78530E+00 ppm1 8.735 ppm2 6.676
ASSI { 2253}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 130 and name HB ))
3.600 2.600 1.900 peak 2253 weight 0.10000E+01 volume 0.68140E+00 ppm1 8.719 ppm2 1.725
ASSI { 2254}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 133 and name HN ))
3.700 2.700 1.800 peak 2254 weight 0.10000E+01 volume 0.57910E+00 ppm1 8.892 ppm2 9.114
ASSI { 2256}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 134 and name HB1 ))
3.300 2.200 2.200 peak 2256 weight 0.10000E+01 volume 0.11497E+01 ppm1 9.128 ppm2 2.234
OR { 2256}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 134 and name HB2 ))
ASSI { 2257}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
3.800 2.900 1.700 peak 2257 weight 0.10000E+01 volume 0.52490E+00 ppm1 8.074 ppm2 0.787
ASSI { 2258}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 83 and name HN ))
3.600 2.600 1.900 peak 2258 weight 0.10000E+01 volume 0.77160E+00 ppm1 9.381 ppm2 8.557
ASSI { 2259}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
3.600 2.600 1.900 peak 2259 weight 0.10000E+01 volume 0.74110E+00 ppm1 9.365 ppm2 0.108
ASSI { 2262}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 85 and name HB ))
3.500 2.500 2.000 peak 2262 weight 0.10000E+01 volume 0.87970E+00 ppm1 9.197 ppm2 2.366
ASSI { 2263}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 180 and name HN ))
3.500 2.500 2.000 peak 2263 weight 0.10000E+01 volume 0.89270E+00 ppm1 9.168 ppm2 8.258
ASSI { 2264}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
3.700 2.700 1.800 peak 2264 weight 0.10000E+01 volume 0.60730E+00 ppm1 9.159 ppm2 7.318
ASSI { 2265}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 87 and name HB1 ))
3.600 2.600 1.900 peak 2265 weight 0.10000E+01 volume 0.71820E+00 ppm1 9.163 ppm2 2.911
ASSI { 2266}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 178 and name HD11)
OR
( segid PTB and resid 178 and name HD13)
OR
( segid PTB and resid 178 and name HD12))
3.800 2.900 1.700 peak 2266 weight 0.10000E+01 volume 0.49970E+00 ppm1 9.178 ppm2 0.769
ASSI { 2267}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 87 and name HD1 )
OR
( segid PTB and resid 87 and name HD2 ))
3.500 2.500 2.000 peak 2267 weight 0.10000E+01 volume 0.80800E+00 ppm1 9.676 ppm2 6.447
ASSI { 2268}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
3.700 2.700 1.800 peak 2268 weight 0.10000E+01 volume 0.64300E+00 ppm1 9.665 ppm2 7.322
ASSI { 2269}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
3.600 2.600 1.900 peak 2269 weight 0.10000E+01 volume 0.72070E+00 ppm1 8.345 ppm2 7.330
ASSI { 2270}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 87 and name HB2 ))
3.600 2.600 1.900 peak 2270 weight 0.10000E+01 volume 0.72360E+00 ppm1 8.362 ppm2 2.758
ASSI { 2272}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 87 and name HE1 )
OR
( segid PTB and resid 87 and name HE2 ))
3.600 2.600 1.900 peak 2272 weight 0.10000E+01 volume 0.67000E+00 ppm1 7.932 ppm2 6.590
ASSI { 2274}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 176 and name HN ))
3.700 2.700 1.800 peak 2274 weight 0.10000E+01 volume 0.59080E+00 ppm1 8.352 ppm2 7.963
ASSI { 2275}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 173 and name HA ))
3.500 2.500 2.000 peak 2275 weight 0.10000E+01 volume 0.82130E+00 ppm1 8.352 ppm2 5.259
ASSI { 2279}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
3.900 3.000 1.600 peak 2279 weight 0.10000E+01 volume 0.46460E+00 ppm1 8.453 ppm2 1.306
ASSI { 2280}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 99 and name HA ))
3.500 2.500 2.000 peak 2280 weight 0.10000E+01 volume 0.78970E+00 ppm1 8.845 ppm2 4.010
ASSI { 2286}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 144 and name HB ))
3.000 1.800 1.800 peak 2286 weight 0.10000E+01 volume 0.21931E+01 ppm1 8.543 ppm2 1.633
ASSI { 2287}
(( segid PTB and resid 138 and name HN ))
(( segid PTB and resid 131 and name HA ))
3.700 2.700 1.800 peak 2287 weight 0.10000E+01 volume 0.65640E+00 ppm1 8.442 ppm2 4.853
ASSI { 2288}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 141 and name HB1 ))
3.500 2.500 2.000 peak 2288 weight 0.10000E+01 volume 0.88650E+00 ppm1 8.804 ppm2 2.830
ASSI { 2291}
(( segid PTB and resid 71 and name HN ))
(( segid PTB and resid 72 and name HA ))
3.700 2.700 1.800 peak 2291 weight 0.10000E+01 volume 0.57220E+00 ppm1 8.383 ppm2 4.467
ASSI { 2292}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 72 and name HA ))
3.700 2.700 1.800 peak 2292 weight 0.10000E+01 volume 0.64130E+00 ppm1 7.736 ppm2 4.475
ASSI { 2293}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 72 and name HA ))
3.500 2.500 2.000 peak 2293 weight 0.10000E+01 volume 0.83630E+00 ppm1 8.582 ppm2 4.474
ASSI { 2296}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 76 and name HA ))
3.500 2.500 2.000 peak 2296 weight 0.10000E+01 volume 0.83490E+00 ppm1 8.074 ppm2 3.695
ASSI { 2298}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 185 and name HA ))
3.500 2.500 2.000 peak 2298 weight 0.10000E+01 volume 0.88840E+00 ppm1 7.702 ppm2 3.900
ASSI { 2299}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 185 and name HA ))
3.600 2.600 1.900 peak 2299 weight 0.10000E+01 volume 0.67730E+00 ppm1 6.525 ppm2 3.884
ASSI { 2300}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 83 and name HB1 ))
3.600 2.600 1.900 peak 2300 weight 0.10000E+01 volume 0.72610E+00 ppm1 6.517 ppm2 2.875
ASSI { 2301}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 186 and name HA ))
3.500 2.500 2.000 peak 2301 weight 0.10000E+01 volume 0.83960E+00 ppm1 6.511 ppm2 2.966
ASSI { 2303}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 187 and name HA ))
3.600 2.600 1.900 peak 2303 weight 0.10000E+01 volume 0.69010E+00 ppm1 7.730 ppm2 2.693
ASSI { 2304}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 190 and name HA ))
3.700 2.700 1.800 peak 2304 weight 0.10000E+01 volume 0.62500E+00 ppm1 8.334 ppm2 3.587
ASSI { 2306}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 192 and name HA1 ))
3.700 2.700 1.800 peak 2306 weight 0.10000E+01 volume 0.60300E+00 ppm1 8.255 ppm2 1.924
ASSI { 2307}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
3.500 2.500 2.000 peak 2307 weight 0.10000E+01 volume 0.86160E+00 ppm1 8.248 ppm2 0.890
ASSI { 2309}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 197 and name HA ))
3.500 2.500 2.000 peak 2309 weight 0.10000E+01 volume 0.85600E+00 ppm1 8.281 ppm2 3.628
ASSI { 2310}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 144 and name HB ))
3.600 2.600 1.900 peak 2310 weight 0.10000E+01 volume 0.71950E+00 ppm1 6.635 ppm2 1.651
OR { 2310}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 144 and name HG11))
ASSI { 2314}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 103 and name HA ))
3.600 2.600 1.900 peak 2314 weight 0.10000E+01 volume 0.74300E+00 ppm1 8.221 ppm2 3.900
ASSI { 2316}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 171 and name HN ))
3.500 2.500 2.000 peak 2316 weight 0.10000E+01 volume 0.87550E+00 ppm1 8.674 ppm2 7.321
ASSI { 2317}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 175 and name HA ))
3.500 2.500 2.000 peak 2317 weight 0.10000E+01 volume 0.82540E+00 ppm1 8.707 ppm2 4.626
ASSI { 2320}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
3.700 2.700 1.800 peak 2320 weight 0.10000E+01 volume 0.60120E+00 ppm1 8.705 ppm2 0.469
ASSI { 2323}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 89 and name HN ))
3.800 2.900 1.700 peak 2323 weight 0.10000E+01 volume 0.53350E+00 ppm1 8.006 ppm2 5.118
ASSI { 2329}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 120 and name HA ))
3.600 2.600 1.900 peak 2329 weight 0.10000E+01 volume 0.70900E+00 ppm1 8.577 ppm2 5.197
ASSI { 2330}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 87 and name HA ))
3.500 2.500 2.000 peak 2330 weight 0.10000E+01 volume 0.89790E+00 ppm1 8.914 ppm2 4.736
ASSI { 2334}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 175 and name HD2 ))
3.500 2.500 2.000 peak 2334 weight 0.10000E+01 volume 0.86860E+00 ppm1 9.719 ppm2 6.648
ASSI { 2340}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 96 and name HB1 ))
3.600 2.600 1.900 peak 2340 weight 0.10000E+01 volume 0.78160E+00 ppm1 9.701 ppm2 2.881
ASSI { 2342}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 174 and name HB2 ))
3.700 2.700 1.800 peak 2342 weight 0.10000E+01 volume 0.66220E+00 ppm1 9.701 ppm2 2.493
OR { 2342}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 174 and name HB1 ))
ASSI { 2344}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 163 and name HA ))
3.300 2.200 2.200 peak 2344 weight 0.10000E+01 volume 0.11938E+01 ppm1 8.712 ppm2 5.420
ASSI { 2347}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 160 and name HB2 ))
3.900 3.000 1.600 peak 2347 weight 0.10000E+01 volume 0.46280E+00 ppm1 9.174 ppm2 2.386
ASSI { 2349}
(( segid PTB and resid 151 and name HN ))
(( segid PTB and resid 162 and name HA ))
2.900 1.700 1.700 peak 2349 weight 0.10000E+01 volume 0.26488E+01 ppm1 8.568 ppm2 5.480
ASSI { 2350}
(( segid PTB and resid 151 and name HN ))
(( segid PTB and resid 160 and name HA ))
3.500 2.500 2.000 peak 2350 weight 0.10000E+01 volume 0.78590E+00 ppm1 8.565 ppm2 5.153
ASSI { 2351}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 154 and name HA ))
3.700 2.700 1.800 peak 2351 weight 0.10000E+01 volume 0.62450E+00 ppm1 7.685 ppm2 4.092
ASSI { 2353}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
3.500 2.500 2.000 peak 2353 weight 0.10000E+01 volume 0.88820E+00 ppm1 7.662 ppm2 7.345
ASSI { 2355}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 132 and name HB1 ))
3.500 2.500 2.000 peak 2355 weight 0.10000E+01 volume 0.88810E+00 ppm1 8.806 ppm2 2.976
ASSI { 2356}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 165 and name HN ))
3.500 2.500 2.000 peak 2356 weight 0.10000E+01 volume 0.78900E+00 ppm1 9.575 ppm2 8.255
ASSI { 2357}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 163 and name HN ))
3.600 2.600 1.900 peak 2357 weight 0.10000E+01 volume 0.76670E+00 ppm1 9.526 ppm2 9.169
ASSI { 2359}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 179 and name HN ))
3.500 2.500 2.000 peak 2359 weight 0.10000E+01 volume 0.80360E+00 ppm1 8.819 ppm2 9.677
ASSI { 2360}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 161 and name HN ))
3.600 2.600 1.900 peak 2360 weight 0.10000E+01 volume 0.67730E+00 ppm1 8.822 ppm2 7.666
ASSI { 2364}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
3.600 2.600 1.900 peak 2364 weight 0.10000E+01 volume 0.76530E+00 ppm1 7.341 ppm2 0.286
ASSI { 2365}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 191 and name HB ))
3.700 2.700 1.800 peak 2365 weight 0.10000E+01 volume 0.59700E+00 ppm1 7.365 ppm2 2.126
ASSI { 2367}
(( segid PTB and resid 144 and name HN ))
(( segid PTB and resid 143 and name HN ))
3.800 2.900 1.700 peak 2367 weight 0.10000E+01 volume 0.55820E+00 ppm1 8.465 ppm2 8.747
ASSI { 2368}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 83 and name HB2 ))
3.300 2.200 2.200 peak 2368 weight 0.10000E+01 volume 0.11957E+01 ppm1 8.556 ppm2 2.287
ASSI { 2369}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 145 and name HB1 ))
3.500 2.500 2.000 peak 2369 weight 0.10000E+01 volume 0.83376E+00 ppm1 7.718 ppm2 2.100
ASSI { 2370}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
3.500 2.500 2.000 peak 2370 weight 0.10000E+01 volume 0.90658E+00 ppm1 7.718 ppm2 1.202
ASSI { 2371}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 149 and name HB2 ))
3.800 2.900 1.700 peak 2371 weight 0.10000E+01 volume 0.54441E+00 ppm1 9.550 ppm2 2.577
OR { 2371}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 149 and name HB1 ))
ASSI { 2372}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 147 and name HB ))
3.600 2.600 1.900 peak 2372 weight 0.10000E+01 volume 0.69713E+00 ppm1 9.557 ppm2 2.390
ASSI { 2373}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 164 and name HB2 ))
3.800 2.900 1.700 peak 2373 weight 0.10000E+01 volume 0.49561E+00 ppm1 9.554 ppm2 3.084
OR { 2373}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 164 and name HB1 ))
ASSI { 2375}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
3.700 2.700 1.800 peak 2375 weight 0.10000E+01 volume 0.63019E+00 ppm1 8.080 ppm2 0.609
ASSI { 2376}
(( segid PTB and resid 150 and name HN ))
(( segid PTB and resid 149 and name HN ))
3.700 2.700 1.800 peak 2376 weight 0.10000E+01 volume 0.57101E+00 ppm1 8.758 ppm2 8.085
ASSI { 2379}
(( segid PTB and resid 150 and name HN ))
(( segid PTB and resid 150 and name HA ))
3.500 2.500 2.000 peak 2379 weight 0.10000E+01 volume 0.90000E+00 ppm1 8.742 ppm2 5.400
ASSI { 2386}
(( segid PTB and resid 150 and name HN ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
3.700 2.700 1.800 peak 2386 weight 0.10000E+01 volume 0.63415E+00 ppm1 8.746 ppm2 1.547
ASSI { 2390}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 153 and name HB2 ))
3.600 2.600 1.900 peak 2390 weight 0.10000E+01 volume 0.76632E+00 ppm1 8.907 ppm2 3.341
OR { 2390}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 153 and name HB1 ))
ASSI { 2391}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 154 and name HD1 ))
3.700 2.700 1.800 peak 2391 weight 0.10000E+01 volume 0.60333E+00 ppm1 8.912 ppm2 3.126
ASSI { 2397}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 158 and name HD1 ))
3.600 2.600 1.900 peak 2397 weight 0.10000E+01 volume 0.66797E+00 ppm1 9.838 ppm2 3.215
OR { 2397}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 158 and name HD2 ))
ASSI { 2398}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 153 and name HN ))
3.800 2.900 1.700 peak 2398 weight 0.10000E+01 volume 0.54476E+00 ppm1 8.472 ppm2 8.230
ASSI { 2400}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 156 and name HN ))
3.700 2.700 1.800 peak 2400 weight 0.10000E+01 volume 0.64023E+00 ppm1 8.479 ppm2 7.654
ASSI { 2404}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 96 and name HB1 ))
3.700 2.700 1.800 peak 2404 weight 0.10000E+01 volume 0.64030E+00 ppm1 6.826 ppm2 2.837
ASSI { 2406}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 158 and name HN ))
3.600 2.600 1.900 peak 2406 weight 0.10000E+01 volume 0.70082E+00 ppm1 9.124 ppm2 9.847
ASSI { 2410}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
3.600 2.600 1.900 peak 2410 weight 0.10000E+01 volume 0.74572E+00 ppm1 8.734 ppm2 1.136
ASSI { 2412}
(( segid PTB and resid 167 and name HN ))
(( segid PTB and resid 166 and name HB1 ))
3.600 2.600 1.900 peak 2412 weight 0.10000E+01 volume 0.73015E+00 ppm1 8.496 ppm2 2.777
ASSI { 2413}
(( segid PTB and resid 167 and name HN ))
(( segid PTB and resid 166 and name HB2 ))
3.800 2.900 1.700 peak 2413 weight 0.10000E+01 volume 0.55052E+00 ppm1 8.484 ppm2 2.430
ASSI { 2414}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 168 and name HN ))
3.800 2.900 1.700 peak 2414 weight 0.10000E+01 volume 0.55694E+00 ppm1 7.931 ppm2 8.211
ASSI { 2422}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 69 and name HD1 ))
3.600 2.600 1.900 peak 2422 weight 0.10000E+01 volume 0.67301E+00 ppm1 8.249 ppm2 6.999
ASSI { 2423}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 84 and name HB2 ))
3.400 2.300 2.100 peak 2423 weight 0.10000E+01 volume 0.11042E+01 ppm1 8.255 ppm2 3.960
OR { 2423}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 84 and name HB1 ))
ASSI { 2424}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 180 and name HA ))
3.600 2.600 1.900 peak 2424 weight 0.10000E+01 volume 0.76206E+00 ppm1 7.048 ppm2 4.248
ASSI { 2425}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
3.800 2.900 1.700 peak 2425 weight 0.10000E+01 volume 0.54091E+00 ppm1 7.051 ppm2 0.928
OR { 2425}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
ASSI { 2429}
(( segid PTB and resid 183 and name HN ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
3.700 2.700 1.800 peak 2429 weight 0.10000E+01 volume 0.62872E+00 ppm1 8.308 ppm2 1.592
ASSI { 2430}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
3.500 2.500 2.000 peak 2430 weight 0.10000E+01 volume 0.81997E+00 ppm1 9.420 ppm2 1.603
ASSI { 2431}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 182 and name HN ))
3.600 2.600 1.900 peak 2431 weight 0.10000E+01 volume 0.67303E+00 ppm1 8.670 ppm2 7.029
ASSI { 2432}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 183 and name HN ))
3.700 2.700 1.800 peak 2432 weight 0.10000E+01 volume 0.64300E+00 ppm1 7.687 ppm2 8.320
ASSI { 2437}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
3.600 2.600 1.900 peak 2437 weight 0.10000E+01 volume 0.69200E+00 ppm1 6.516 ppm2 1.599
ASSI { 2442}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 195 and name HD1 )
OR
( segid PTB and resid 195 and name HD2 ))
3.500 2.500 2.000 peak 2442 weight 0.10000E+01 volume 0.82302E+00 ppm1 7.541 ppm2 7.051
OR { 2442}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
ASSI { 2443}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 199 and name HG ))
3.500 2.500 2.000 peak 2443 weight 0.10000E+01 volume 0.84928E+00 ppm1 8.300 ppm2 1.771
ASSI { 2446}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 127 and name HA2 ))
3.500 2.500 2.000 peak 2446 weight 0.10000E+01 volume 0.90000E+00 ppm1 7.920 ppm2 4.450
ASSI { 2449}
(( segid PTB and resid 111 and name HE21))
(( segid PTB and resid 108 and name HA ))
3.500 2.500 2.000 peak 2449 weight 0.10000E+01 volume 0.86103E+00 ppm1 7.353 ppm2 3.639
ASSI { 1}
(( segid PTB and resid 144 and name HN ))
(( segid PTB and resid 143 and name HA ))
2.200 0.800 0.800 peak 1 weight 0.10000E+01 volume 0.69892E+01 ppm1 8.472 ppm2 4.607
ASSI { 2}
(( segid PTB and resid 144 and name HN ))
(( segid PTB and resid 143 and name HB ))
3.100 1.100 1.100 peak 2 weight 0.10000E+01 volume 0.98790E+00 ppm1 8.476 ppm2 4.418
ASSI { 3}
(( segid PTB and resid 144 and name HN ))
(( segid PTB and resid 144 and name HA ))
2.800 1.000 1.000 peak 3 weight 0.10000E+01 volume 0.18970E+01 ppm1 8.468 ppm2 3.950
ASSI { 4}
(( segid PTB and resid 144 and name HN ))
(( segid PTB and resid 144 and name HB ))
2.500 0.900 0.900 peak 4 weight 0.10000E+01 volume 0.40516E+01 ppm1 8.472 ppm2 1.643
ASSI { 5}
(( segid PTB and resid 144 and name HN ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
3.000 1.000 1.000 peak 5 weight 0.10000E+01 volume 0.11772E+01 ppm1 8.466 ppm2 1.373
ASSI { 6}
(( segid PTB and resid 144 and name HN ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.800 1.000 1.000 peak 6 weight 0.10000E+01 volume 0.16407E+01 ppm1 8.467 ppm2 1.171
ASSI { 39}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 118 and name HA ))
2.800 1.000 1.000 peak 39 weight 0.10000E+01 volume 0.19175E+01 ppm1 8.986 ppm2 4.957
ASSI { 40}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 117 and name HA ))
2.000 0.700 0.700 peak 40 weight 0.10000E+01 volume 0.14932E+02 ppm1 8.985 ppm2 4.301
ASSI { 41}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 118 and name HB2 ))
2.600 0.900 0.900 peak 41 weight 0.10000E+01 volume 0.27078E+01 ppm1 8.986 ppm2 2.035
ASSI { 42}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 118 and name HB1 ))
2.500 0.900 0.900 peak 42 weight 0.10000E+01 volume 0.34239E+01 ppm1 8.983 ppm2 1.818
ASSI { 44}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
2.600 0.900 0.900 peak 44 weight 0.10000E+01 volume 0.26816E+01 ppm1 8.985 ppm2 1.034
ASSI { 46}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 175 and name HD2 ))
3.100 1.100 1.100 peak 46 weight 0.10000E+01 volume 0.10611E+01 ppm1 8.719 ppm2 6.665
ASSI { 47}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 162 and name HN ))
3.000 1.000 1.000 peak 47 weight 0.10000E+01 volume 0.11510E+01 ppm1 8.715 ppm2 8.125
ASSI { 48}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 174 and name HA ))
2.400 0.800 0.800 peak 48 weight 0.10000E+01 volume 0.51062E+01 ppm1 8.715 ppm2 5.523
ASSI { 49}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 175 and name HB1 ))
2.800 1.000 1.000 peak 49 weight 0.10000E+01 volume 0.18783E+01 ppm1 8.714 ppm2 1.807
ASSI { 50}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
3.000 1.000 1.000 peak 50 weight 0.10000E+01 volume 0.11734E+01 ppm1 8.709 ppm2 1.330
ASSI { 53}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.500 0.900 0.900 peak 53 weight 0.10000E+01 volume 0.39381E+01 ppm1 9.703 ppm2 1.602
ASSI { 54}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 179 and name HA ))
3.100 1.100 1.100 peak 54 weight 0.10000E+01 volume 0.10530E+01 ppm1 9.695 ppm2 4.603
ASSI { 60}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 178 and name HA ))
2.300 0.800 0.800 peak 60 weight 0.10000E+01 volume 0.60329E+01 ppm1 9.702 ppm2 4.955
ASSI { 62}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 166 and name HA ))
2.800 1.000 1.000 peak 62 weight 0.10000E+01 volume 0.17555E+01 ppm1 8.740 ppm2 4.687
ASSI { 63}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 165 and name HA ))
2.300 0.800 0.800 peak 63 weight 0.10000E+01 volume 0.53566E+01 ppm1 8.740 ppm2 4.306
ASSI { 65}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 166 and name HB2 ))
2.700 0.900 0.900 peak 65 weight 0.10000E+01 volume 0.20369E+01 ppm1 8.738 ppm2 2.444
ASSI { 69}
(( segid PTB and resid 69 and name HE1 ))
(( segid PTB and resid 69 and name HZ2 ))
2.400 0.800 0.800 peak 69 weight 0.10000E+01 volume 0.44806E+01 ppm1 10.233 ppm2 7.324
ASSI { 70}
(( segid PTB and resid 69 and name HE1 ))
(( segid PTB and resid 69 and name HD1 ))
2.100 0.700 0.700 peak 70 weight 0.10000E+01 volume 0.11543E+02 ppm1 10.233 ppm2 6.964
ASSI { 73}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 131 and name HA ))
2.200 0.800 0.800 peak 73 weight 0.10000E+01 volume 0.77706E+01 ppm1 8.900 ppm2 4.866
ASSI { 74}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 132 and name HA ))
2.700 0.900 0.900 peak 74 weight 0.10000E+01 volume 0.22121E+01 ppm1 8.900 ppm2 4.482
ASSI { 75}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 132 and name HB1 ))
2.500 0.900 0.900 peak 75 weight 0.10000E+01 volume 0.38679E+01 ppm1 8.902 ppm2 2.971
ASSI { 76}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 132 and name HB2 ))
2.600 0.900 0.900 peak 76 weight 0.10000E+01 volume 0.29201E+01 ppm1 8.900 ppm2 2.606
ASSI { 77}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 139 and name HG11))
3.100 1.100 1.100 peak 77 weight 0.10000E+01 volume 0.10413E+01 ppm1 8.900 ppm2 1.309
OR { 77}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 139 and name HG12))
ASSI { 78}
(( segid PTB and resid 132 and name HN ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
2.700 0.900 0.900 peak 78 weight 0.10000E+01 volume 0.24728E+01 ppm1 8.899 ppm2 0.817
ASSI { 92}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 130 and name HA ))
2.300 0.800 0.800 peak 92 weight 0.10000E+01 volume 0.67399E+01 ppm1 8.734 ppm2 5.345
ASSI { 93}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 131 and name HA ))
3.000 1.000 1.000 peak 93 weight 0.10000E+01 volume 0.13101E+01 ppm1 8.732 ppm2 4.859
ASSI { 94}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 131 and name HB ))
2.700 0.900 0.900 peak 94 weight 0.10000E+01 volume 0.24546E+01 ppm1 8.737 ppm2 1.919
ASSI { 95}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
2.900 1.000 1.000 peak 95 weight 0.10000E+01 volume 0.15750E+01 ppm1 8.734 ppm2 0.629
ASSI { 96}
(( segid PTB and resid 131 and name HN ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.700 0.900 0.900 peak 96 weight 0.10000E+01 volume 0.22513E+01 ppm1 8.728 ppm2 0.892
ASSI { 111}
(( segid PTB and resid 172 and name HE1 ))
(( segid PTB and resid 172 and name HZ2 ))
2.300 0.800 0.800 peak 111 weight 0.10000E+01 volume 0.64443E+01 ppm1 10.026 ppm2 7.562
ASSI { 116}
(( segid PTB and resid 99 and name HN ))
(( segid PTB and resid 99 and name HB2 ))
2.800 1.000 1.000 peak 116 weight 0.10000E+01 volume 0.17002E+01 ppm1 9.115 ppm2 2.165
ASSI { 117}
(( segid PTB and resid 157 and name HN ))
(( segid PTB and resid 158 and name HE ))
3.200 1.100 1.100 peak 117 weight 0.10000E+01 volume 0.83180E+00 ppm1 9.106 ppm2 7.265
ASSI { 118}
(( segid PTB and resid 99 and name HN ))
(( segid PTB and resid 98 and name HA2 ))
2.900 1.000 1.000 peak 118 weight 0.10000E+01 volume 0.14411E+01 ppm1 9.104 ppm2 4.299
ASSI { 122}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 91 and name HA ))
2.200 0.800 0.800 peak 122 weight 0.10000E+01 volume 0.84798E+01 ppm1 8.421 ppm2 4.390
ASSI { 123}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 91 and name HB ))
2.900 1.000 1.000 peak 123 weight 0.10000E+01 volume 0.15532E+01 ppm1 8.416 ppm2 1.943
ASSI { 129}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 121 and name HA ))
2.400 0.800 0.800 peak 129 weight 0.10000E+01 volume 0.52114E+01 ppm1 9.821 ppm2 5.097
ASSI { 130}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 122 and name HB2 ))
2.700 0.900 0.900 peak 130 weight 0.10000E+01 volume 0.22495E+01 ppm1 9.821 ppm2 2.988
ASSI { 132}
(( segid PTB and resid 92 and name HN ))
(( segid PTB and resid 92 and name HA ))
3.000 1.000 1.000 peak 132 weight 0.10000E+01 volume 0.11845E+01 ppm1 8.420 ppm2 5.022
ASSI { 135}
(( segid PTB and resid 122 and name HN ))
(( segid PTB and resid 130 and name HA ))
3.000 1.000 1.000 peak 135 weight 0.10000E+01 volume 0.11464E+01 ppm1 9.819 ppm2 5.334
ASSI { 140}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 134 and name HN ))
2.700 0.900 0.900 peak 140 weight 0.10000E+01 volume 0.23318E+01 ppm1 9.128 ppm2 8.817
ASSI { 142}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 119 and name HA2 ))
2.600 0.900 0.900 peak 142 weight 0.10000E+01 volume 0.28431E+01 ppm1 9.124 ppm2 4.651
ASSI { 144}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 119 and name HA1 ))
2.900 1.000 1.000 peak 144 weight 0.10000E+01 volume 0.13339E+01 ppm1 9.121 ppm2 4.197
ASSI { 145}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 133 and name HB1 ))
2.300 0.800 0.800 peak 145 weight 0.10000E+01 volume 0.63477E+01 ppm1 9.122 ppm2 2.583
OR { 145}
(( segid PTB and resid 133 and name HN ))
(( segid PTB and resid 133 and name HB2 ))
ASSI { 147}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 141 and name HA ))
2.700 0.900 0.900 peak 147 weight 0.10000E+01 volume 0.22468E+01 ppm1 8.691 ppm2 4.915
ASSI { 148}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 141 and name HB1 ))
2.700 0.900 0.900 peak 148 weight 0.10000E+01 volume 0.22841E+01 ppm1 8.690 ppm2 2.837
ASSI { 149}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 140 and name HA ))
2.000 0.700 0.700 peak 149 weight 0.10000E+01 volume 0.13719E+02 ppm1 8.686 ppm2 4.078
ASSI { 150}
(( segid PTB and resid 141 and name HN ))
(( segid PTB and resid 141 and name HB2 ))
3.000 1.000 1.000 peak 150 weight 0.10000E+01 volume 0.12605E+01 ppm1 8.687 ppm2 2.289
ASSI { 152}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 88 and name HG ))
3.000 1.000 1.000 peak 152 weight 0.10000E+01 volume 0.11259E+01 ppm1 8.369 ppm2 1.059
ASSI { 155}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 87 and name HA ))
2.500 0.900 0.900 peak 155 weight 0.10000E+01 volume 0.32165E+01 ppm1 8.357 ppm2 4.770
ASSI { 156}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 88 and name HB1 ))
2.800 1.000 1.000 peak 156 weight 0.10000E+01 volume 0.19784E+01 ppm1 8.353 ppm2 1.349
OR { 156}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 88 and name HB2 ))
ASSI { 157}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 177 and name HA ))
3.000 1.000 1.000 peak 157 weight 0.10000E+01 volume 0.13058E+01 ppm1 8.349 ppm2 5.451
ASSI { 158}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
3.100 1.100 1.100 peak 158 weight 0.10000E+01 volume 0.97080E+00 ppm1 8.348 ppm2 0.609
OR { 158}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
ASSI { 162}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 115 and name HA ))
2.600 0.900 0.900 peak 162 weight 0.10000E+01 volume 0.29035E+01 ppm1 8.653 ppm2 4.482
ASSI { 163}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 114 and name HA ))
2.000 0.700 0.700 peak 163 weight 0.10000E+01 volume 0.13958E+02 ppm1 8.655 ppm2 4.223
ASSI { 164}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 115 and name HB2 ))
2.200 0.800 0.800 peak 164 weight 0.10000E+01 volume 0.87217E+01 ppm1 8.655 ppm2 1.794
OR { 164}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 115 and name HB1 ))
OR { 164}
(( segid PTB and resid 115 and name HN ))
(( segid PTB and resid 115 and name HG2 ))
ASSI { 167}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 148 and name HN ))
2.600 0.900 0.900 peak 167 weight 0.10000E+01 volume 0.28824E+01 ppm1 8.076 ppm2 9.563
ASSI { 168}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 163 and name HN ))
3.100 1.100 1.100 peak 168 weight 0.10000E+01 volume 0.96080E+00 ppm1 8.082 ppm2 9.135
ASSI { 169}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 149 and name HA ))
2.900 1.000 1.000 peak 169 weight 0.10000E+01 volume 0.16272E+01 ppm1 8.080 ppm2 5.541
ASSI { 170}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
2.600 0.900 0.900 peak 170 weight 0.10000E+01 volume 0.25456E+01 ppm1 8.075 ppm2 1.367
ASSI { 185}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 154 and name HA ))
2.900 1.000 1.000 peak 185 weight 0.10000E+01 volume 0.15664E+01 ppm1 8.909 ppm2 4.101
ASSI { 186}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 154 and name HB2 ))
2.500 0.900 0.900 peak 186 weight 0.10000E+01 volume 0.33036E+01 ppm1 8.912 ppm2 1.823
OR { 186}
(( segid PTB and resid 154 and name HN ))
(( segid PTB and resid 154 and name HB1 ))
ASSI { 209}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 131 and name HA ))
3.000 1.000 1.000 peak 209 weight 0.10000E+01 volume 0.11792E+01 ppm1 8.806 ppm2 4.860
ASSI { 210}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 139 and name HB ))
2.800 1.000 1.000 peak 210 weight 0.10000E+01 volume 0.18724E+01 ppm1 8.806 ppm2 1.758
ASSI { 213}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 195 and name HN ))
2.600 0.900 0.900 peak 213 weight 0.10000E+01 volume 0.27693E+01 ppm1 7.548 ppm2 8.257
ASSI { 214}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 193 and name HB1 ))
2.800 1.000 1.000 peak 214 weight 0.10000E+01 volume 0.17861E+01 ppm1 7.550 ppm2 3.052
ASSI { 215}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 193 and name HB2 ))
3.100 1.100 1.100 peak 215 weight 0.10000E+01 volume 0.10600E+01 ppm1 7.549 ppm2 2.579
ASSI { 217}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.300 0.800 0.800 peak 217 weight 0.10000E+01 volume 0.61027E+01 ppm1 7.545 ppm2 1.255
ASSI { 219}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 138 and name HA ))
2.300 0.800 0.800 peak 219 weight 0.10000E+01 volume 0.54150E+01 ppm1 8.806 ppm2 4.548
ASSI { 220}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 139 and name HA ))
2.900 1.000 1.000 peak 220 weight 0.10000E+01 volume 0.14552E+01 ppm1 8.808 ppm2 4.265
ASSI { 221}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 139 and name HG11))
2.600 0.900 0.900 peak 221 weight 0.10000E+01 volume 0.26637E+01 ppm1 8.810 ppm2 1.326
ASSI { 222}
(( segid PTB and resid 139 and name HN ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.800 1.000 1.000 peak 222 weight 0.10000E+01 volume 0.18449E+01 ppm1 8.809 ppm2 0.858
ASSI { 228}
(( segid PTB and resid 208 and name HN ))
(( segid PTB and resid 208 and name HB1 )
OR
( segid PTB and resid 208 and name HB3 )
OR
( segid PTB and resid 208 and name HB2 ))
2.800 1.000 1.000 peak 228 weight 0.10000E+01 volume 0.19497E+01 ppm1 8.232 ppm2 1.417
ASSI { 231}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 194 and name HA ))
2.700 0.900 0.900 peak 231 weight 0.10000E+01 volume 0.22951E+01 ppm1 7.544 ppm2 3.584
ASSI { 234}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 117 and name HN ))
3.000 1.000 1.000 peak 234 weight 0.10000E+01 volume 0.11962E+01 ppm1 9.666 ppm2 8.046
ASSI { 238}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 86 and name HA ))
2.300 0.800 0.800 peak 238 weight 0.10000E+01 volume 0.65853E+01 ppm1 9.673 ppm2 4.996
ASSI { 239}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 87 and name HB1 ))
2.700 0.900 0.900 peak 239 weight 0.10000E+01 volume 0.21147E+01 ppm1 9.674 ppm2 2.889
ASSI { 240}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 87 and name HB2 ))
3.000 1.000 1.000 peak 240 weight 0.10000E+01 volume 0.13206E+01 ppm1 9.673 ppm2 2.763
ASSI { 244}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 129 and name HA ))
3.000 1.000 1.000 peak 244 weight 0.10000E+01 volume 0.12620E+01 ppm1 8.811 ppm2 5.304
ASSI { 247}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.800 1.000 1.000 peak 247 weight 0.10000E+01 volume 0.18727E+01 ppm1 8.814 ppm2 0.808
ASSI { 248}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 142 and name HA ))
2.700 0.900 0.900 peak 248 weight 0.10000E+01 volume 0.22688E+01 ppm1 8.803 ppm2 4.458
ASSI { 252}
(( segid PTB and resid 143 and name HN ))
(( segid PTB and resid 143 and name HA ))
2.800 1.000 1.000 peak 252 weight 0.10000E+01 volume 0.17273E+01 ppm1 8.739 ppm2 4.604
ASSI { 253}
(( segid PTB and resid 143 and name HN ))
(( segid PTB and resid 142 and name HA ))
2.100 0.700 0.700 peak 253 weight 0.10000E+01 volume 0.89735E+01 ppm1 8.740 ppm2 4.454
ASSI { 257}
(( segid PTB and resid 82 and name HN ))
(( segid PTB and resid 81 and name HA ))
2.000 0.700 0.700 peak 257 weight 0.10000E+01 volume 0.12380E+02 ppm1 8.010 ppm2 4.221
ASSI { 261}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 141 and name HA ))
2.300 0.800 0.800 peak 261 weight 0.10000E+01 volume 0.63400E+01 ppm1 8.815 ppm2 4.923
ASSI { 265}
(( segid PTB and resid 82 and name HN ))
(( segid PTB and resid 82 and name HB2 ))
3.200 1.100 1.100 peak 265 weight 0.10000E+01 volume 0.88480E+00 ppm1 8.022 ppm2 3.398
ASSI { 266}
(( segid PTB and resid 82 and name HN ))
(( segid PTB and resid 82 and name HA ))
2.700 0.900 0.900 peak 266 weight 0.10000E+01 volume 0.21450E+01 ppm1 8.009 ppm2 5.420
ASSI { 268}
(( segid PTB and resid 82 and name HN ))
(( segid PTB and resid 82 and name HB1 ))
3.000 1.000 1.000 peak 268 weight 0.10000E+01 volume 0.10913E+01 ppm1 8.007 ppm2 3.025
ASSI { 269}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 177 and name HN ))
3.100 1.100 1.100 peak 269 weight 0.10000E+01 volume 0.10877E+01 ppm1 8.827 ppm2 9.164
ASSI { 270}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 159 and name HA1 ))
2.700 0.900 0.900 peak 270 weight 0.10000E+01 volume 0.24770E+01 ppm1 8.826 ppm2 3.612
OR { 270}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 159 and name HA2 ))
ASSI { 271}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 160 and name HB2 ))
2.900 1.000 1.000 peak 271 weight 0.10000E+01 volume 0.14143E+01 ppm1 8.832 ppm2 2.381
ASSI { 272}
(( segid PTB and resid 65 and name HN ))
(( segid PTB and resid 69 and name HB2 ))
3.200 1.100 1.100 peak 272 weight 0.10000E+01 volume 0.83800E+00 ppm1 8.123 ppm2 3.265
ASSI { 274}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 80 and name HA ))
2.700 0.900 0.900 peak 274 weight 0.10000E+01 volume 0.20610E+01 ppm1 7.446 ppm2 4.532
ASSI { 275}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 81 and name HB1 ))
2.800 1.000 1.000 peak 275 weight 0.10000E+01 volume 0.19755E+01 ppm1 7.447 ppm2 3.076
ASSI { 276}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
3.200 1.100 1.100 peak 276 weight 0.10000E+01 volume 0.80530E+00 ppm1 7.451 ppm2 1.342
ASSI { 277}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 80 and name HN ))
2.500 0.900 0.900 peak 277 weight 0.10000E+01 volume 0.36622E+01 ppm1 7.444 ppm2 8.604
ASSI { 279}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 81 and name HA ))
2.800 1.000 1.000 peak 279 weight 0.10000E+01 volume 0.19497E+01 ppm1 7.441 ppm2 4.206
ASSI { 280}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 76 and name HA ))
3.200 1.100 1.100 peak 280 weight 0.10000E+01 volume 0.83860E+00 ppm1 7.438 ppm2 3.706
ASSI { 281}
(( segid PTB and resid 81 and name HN ))
(( segid PTB and resid 81 and name HB2 ))
2.700 0.900 0.900 peak 281 weight 0.10000E+01 volume 0.20917E+01 ppm1 7.437 ppm2 2.204
ASSI { 282}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 83 and name HN ))
3.000 1.000 1.000 peak 282 weight 0.10000E+01 volume 0.13160E+01 ppm1 9.072 ppm2 8.567
ASSI { 283}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 120 and name HA ))
2.300 0.800 0.800 peak 283 weight 0.10000E+01 volume 0.63255E+01 ppm1 9.069 ppm2 5.197
ASSI { 284}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 121 and name HB2 ))
2.800 1.000 1.000 peak 284 weight 0.10000E+01 volume 0.18314E+01 ppm1 9.069 ppm2 1.834
OR { 284}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 121 and name HB1 ))
ASSI { 287}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.800 1.000 1.000 peak 287 weight 0.10000E+01 volume 0.18635E+01 ppm1 9.064 ppm2 0.907
ASSI { 288}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 160 and name HA ))
3.000 1.000 1.000 peak 288 weight 0.10000E+01 volume 0.11063E+01 ppm1 8.819 ppm2 5.152
ASSI { 289}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
3.200 1.100 1.100 peak 289 weight 0.10000E+01 volume 0.89590E+00 ppm1 8.817 ppm2 0.568
ASSI { 298}
(( segid PTB and resid 65 and name HN ))
(( segid PTB and resid 65 and name HG2 ))
3.000 1.000 1.000 peak 298 weight 0.10000E+01 volume 0.11535E+01 ppm1 8.133 ppm2 1.287
ASSI { 303}
(( segid PTB and resid 65 and name HN ))
(( segid PTB and resid 65 and name HB2 ))
2.200 0.800 0.800 peak 303 weight 0.10000E+01 volume 0.71022E+01 ppm1 8.129 ppm2 1.614
OR { 303}
(( segid PTB and resid 65 and name HN ))
(( segid PTB and resid 65 and name HB1 ))
ASSI { 304}
(( segid PTB and resid 79 and name HN ))
(( segid PTB and resid 80 and name HN ))
2.600 0.900 0.900 peak 304 weight 0.10000E+01 volume 0.26895E+01 ppm1 8.102 ppm2 8.607
ASSI { 305}
(( segid PTB and resid 79 and name HN ))
(( segid PTB and resid 79 and name HA ))
2.200 0.800 0.800 peak 305 weight 0.10000E+01 volume 0.83419E+01 ppm1 8.100 ppm2 4.156
ASSI { 307}
(( segid PTB and resid 138 and name HN ))
(( segid PTB and resid 138 and name HA ))
2.700 0.900 0.900 peak 307 weight 0.10000E+01 volume 0.24039E+01 ppm1 8.445 ppm2 4.549
ASSI { 308}
(( segid PTB and resid 138 and name HN ))
(( segid PTB and resid 137 and name HA1 ))
2.200 0.800 0.800 peak 308 weight 0.10000E+01 volume 0.88894E+01 ppm1 8.445 ppm2 4.160
ASSI { 309}
(( segid PTB and resid 138 and name HN ))
(( segid PTB and resid 137 and name HA2 ))
2.400 0.800 0.800 peak 309 weight 0.10000E+01 volume 0.46981E+01 ppm1 8.444 ppm2 3.559
ASSI { 310}
(( segid PTB and resid 138 and name HN ))
(( segid PTB and resid 138 and name HB2 ))
2.300 0.800 0.800 peak 310 weight 0.10000E+01 volume 0.60157E+01 ppm1 8.446 ppm2 1.680
ASSI { 311}
(( segid PTB and resid 138 and name HN ))
(( segid PTB and resid 138 and name HB1 ))
2.400 0.800 0.800 peak 311 weight 0.10000E+01 volume 0.51627E+01 ppm1 8.445 ppm2 1.507
ASSI { 314}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 122 and name HA ))
2.400 0.800 0.800 peak 314 weight 0.10000E+01 volume 0.48370E+01 ppm1 8.321 ppm2 4.965
ASSI { 315}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 123 and name HB ))
2.700 0.900 0.900 peak 315 weight 0.10000E+01 volume 0.21401E+01 ppm1 8.317 ppm2 1.809
ASSI { 316}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.700 0.900 0.900 peak 316 weight 0.10000E+01 volume 0.20396E+01 ppm1 8.314 ppm2 0.684
ASSI { 322}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
3.000 1.000 1.000 peak 322 weight 0.10000E+01 volume 0.11662E+01 ppm1 9.186 ppm2 0.802
ASSI { 323}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
3.100 1.100 1.100 peak 323 weight 0.10000E+01 volume 0.92630E+00 ppm1 9.190 ppm2 0.661
ASSI { 325}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 91 and name HN ))
3.000 1.000 1.000 peak 325 weight 0.10000E+01 volume 0.12251E+01 ppm1 9.176 ppm2 8.344
ASSI { 326}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 174 and name HA ))
3.200 1.100 1.100 peak 326 weight 0.10000E+01 volume 0.82940E+00 ppm1 9.183 ppm2 5.536
ASSI { 327}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 173 and name HA ))
2.400 0.800 0.800 peak 327 weight 0.10000E+01 volume 0.51738E+01 ppm1 9.179 ppm2 5.279
ASSI { 330}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 171 and name HA ))
2.400 0.800 0.800 peak 330 weight 0.10000E+01 volume 0.43888E+01 ppm1 8.690 ppm2 4.302
ASSI { 331}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 171 and name HD2 ))
2.900 1.000 1.000 peak 331 weight 0.10000E+01 volume 0.14931E+01 ppm1 8.695 ppm2 3.138
ASSI { 332}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 171 and name HB2 ))
2.900 1.000 1.000 peak 332 weight 0.10000E+01 volume 0.15841E+01 ppm1 8.694 ppm2 1.647
OR { 332}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 171 and name HB1 ))
ASSI { 333}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 93 and name HN ))
2.700 2.700 1.800 peak 333 weight 0.10000E+01 volume 0.20994E+01 ppm1 8.659 ppm2 8.257
ASSI { 340}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 74 and name HN ))
3.000 1.000 1.000 peak 340 weight 0.10000E+01 volume 0.11958E+01 ppm1 7.875 ppm2 7.730
ASSI { 341}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 75 and name HA ))
2.600 0.900 0.900 peak 341 weight 0.10000E+01 volume 0.25588E+01 ppm1 7.870 ppm2 4.072
ASSI { 342}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
2.300 0.800 0.800 peak 342 weight 0.10000E+01 volume 0.66433E+01 ppm1 7.870 ppm2 1.345
ASSI { 343}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 76 and name HN ))
2.700 0.900 0.900 peak 343 weight 0.10000E+01 volume 0.22656E+01 ppm1 7.867 ppm2 8.587
ASSI { 345}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 74 and name HB2 ))
2.600 0.900 0.900 peak 345 weight 0.10000E+01 volume 0.25587E+01 ppm1 7.868 ppm2 2.086
OR { 345}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 74 and name HB1 ))
ASSI { 358}
(( segid PTB and resid 75 and name HN ))
(( segid PTB and resid 72 and name HA ))
3.000 1.000 1.000 peak 358 weight 0.10000E+01 volume 0.12889E+01 ppm1 7.872 ppm2 4.484
ASSI { 361}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 106 and name HN ))
2.500 0.900 0.900 peak 361 weight 0.10000E+01 volume 0.38109E+01 ppm1 7.620 ppm2 8.520
ASSI { 362}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 104 and name HN ))
2.500 0.900 0.900 peak 362 weight 0.10000E+01 volume 0.39812E+01 ppm1 7.621 ppm2 8.180
ASSI { 364}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 102 and name HA ))
3.200 1.100 1.100 peak 364 weight 0.10000E+01 volume 0.80280E+00 ppm1 7.626 ppm2 4.183
ASSI { 367}
(( segid PTB and resid 105 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.200 0.800 0.800 peak 367 weight 0.10000E+01 volume 0.73382E+01 ppm1 7.620 ppm2 1.319
ASSI { 372}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 131 and name HN ))
2.800 1.000 1.000 peak 372 weight 0.10000E+01 volume 0.17535E+01 ppm1 8.561 ppm2 8.732
ASSI { 374}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 120 and name HA ))
3.100 1.100 1.100 peak 374 weight 0.10000E+01 volume 0.10810E+01 ppm1 8.557 ppm2 5.196
ASSI { 375}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 119 and name HA2 ))
2.600 0.900 0.900 peak 375 weight 0.10000E+01 volume 0.30794E+01 ppm1 8.561 ppm2 4.654
ASSI { 376}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 119 and name HA1 ))
2.400 0.800 0.800 peak 376 weight 0.10000E+01 volume 0.49026E+01 ppm1 8.562 ppm2 4.205
ASSI { 377}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 120 and name HB2 ))
2.500 0.900 0.900 peak 377 weight 0.10000E+01 volume 0.34483E+01 ppm1 8.561 ppm2 1.543
OR { 377}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 120 and name HB1 ))
ASSI { 379}
(( segid PTB and resid 120 and name HN ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
3.200 1.100 1.100 peak 379 weight 0.10000E+01 volume 0.80480E+00 ppm1 8.552 ppm2 0.613
ASSI { 382}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 189 and name HN ))
2.700 0.900 0.900 peak 382 weight 0.10000E+01 volume 0.20315E+01 ppm1 7.360 ppm2 8.073
ASSI { 387}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
2.300 0.800 0.800 peak 387 weight 0.10000E+01 volume 0.59100E+01 ppm1 7.362 ppm2 1.454
ASSI { 388}
(( segid PTB and resid 190 and name HN ))
(( segid PTB and resid 190 and name HA ))
2.800 1.000 1.000 peak 388 weight 0.10000E+01 volume 0.18708E+01 ppm1 7.354 ppm2 3.539
ASSI { 394}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 140 and name HN ))
2.800 1.000 1.000 peak 394 weight 0.10000E+01 volume 0.18960E+01 ppm1 8.872 ppm2 7.267
ASSI { 403}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
3.000 1.000 1.000 peak 403 weight 0.10000E+01 volume 0.11134E+01 ppm1 6.514 ppm2 1.426
ASSI { 404}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 187 and name HB2 ))
2.700 0.900 0.900 peak 404 weight 0.10000E+01 volume 0.22588E+01 ppm1 6.514 ppm2 0.646
OR { 404}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 187 and name HB1 ))
ASSI { 405}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 187 and name HD11)
OR
( segid PTB and resid 187 and name HD13)
OR
( segid PTB and resid 187 and name HD12))
2.600 0.900 0.900 peak 405 weight 0.10000E+01 volume 0.31620E+01 ppm1 6.512 ppm2 -0.114
ASSI { 407}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 140 and name HB ))
2.700 0.900 0.900 peak 407 weight 0.10000E+01 volume 0.23129E+01 ppm1 8.870 ppm2 1.561
ASSI { 408}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
2.600 0.900 0.900 peak 408 weight 0.10000E+01 volume 0.27701E+01 ppm1 8.875 ppm2 0.860
ASSI { 411}
(( segid PTB and resid 71 and name HN ))
(( segid PTB and resid 71 and name HA ))
2.600 0.900 0.900 peak 411 weight 0.10000E+01 volume 0.29112E+01 ppm1 8.375 ppm2 4.220
ASSI { 412}
(( segid PTB and resid 71 and name HN ))
(( segid PTB and resid 70 and name HB2 ))
2.800 1.000 1.000 peak 412 weight 0.10000E+01 volume 0.18432E+01 ppm1 8.376 ppm2 2.134
ASSI { 413}
(( segid PTB and resid 71 and name HN ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
2.300 0.800 0.800 peak 413 weight 0.10000E+01 volume 0.66426E+01 ppm1 8.377 ppm2 1.500
ASSI { 417}
(( segid PTB and resid 187 and name HN ))
(( segid PTB and resid 187 and name HA ))
2.900 1.000 1.000 peak 417 weight 0.10000E+01 volume 0.13361E+01 ppm1 6.515 ppm2 2.681
ASSI { 418}
(( segid PTB and resid 71 and name HN ))
(( segid PTB and resid 70 and name HN ))
2.700 0.900 0.900 peak 418 weight 0.10000E+01 volume 0.24219E+01 ppm1 8.373 ppm2 7.962
ASSI { 422}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 186 and name HA ))
3.000 1.000 1.000 peak 422 weight 0.10000E+01 volume 0.13293E+01 ppm1 7.701 ppm2 2.974
ASSI { 423}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 185 and name HB2 ))
3.000 1.000 1.000 peak 423 weight 0.10000E+01 volume 0.13029E+01 ppm1 7.699 ppm2 2.240
OR { 423}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 185 and name HB1 ))
ASSI { 424}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 185 and name HN ))
3.000 1.000 1.000 peak 424 weight 0.10000E+01 volume 0.11397E+01 ppm1 7.686 ppm2 8.657
ASSI { 425}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 187 and name HN ))
2.800 1.000 1.000 peak 425 weight 0.10000E+01 volume 0.18141E+01 ppm1 7.690 ppm2 6.522
ASSI { 426}
(( segid PTB and resid 186 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
2.600 2.600 1.900 peak 426 weight 0.10000E+01 volume 0.25639E+01 ppm1 7.692 ppm2 1.440
ASSI { 432}
(( segid PTB and resid 150 and name HN ))
(( segid PTB and resid 151 and name HN ))
3.100 3.100 1.400 peak 432 weight 0.10000E+01 volume 0.10100E+01 ppm1 8.751 ppm2 8.593
ASSI { 434}
(( segid PTB and resid 150 and name HN ))
(( segid PTB and resid 149 and name HA ))
2.500 0.900 0.900 peak 434 weight 0.10000E+01 volume 0.37552E+01 ppm1 8.741 ppm2 5.538
ASSI { 442}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 108 and name HN ))
2.700 0.900 0.900 peak 442 weight 0.10000E+01 volume 0.23021E+01 ppm1 8.557 ppm2 7.441
ASSI { 444}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 108 and name HB ))
2.700 0.900 0.900 peak 444 weight 0.10000E+01 volume 0.24272E+01 ppm1 8.562 ppm2 2.274
ASSI { 446}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 129 and name HG2 ))
2.300 0.800 0.800 peak 446 weight 0.10000E+01 volume 0.64274E+01 ppm1 8.564 ppm2 1.594
OR { 446}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 129 and name HG1 ))
ASSI { 448}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
3.100 1.100 1.100 peak 448 weight 0.10000E+01 volume 0.92080E+00 ppm1 8.557 ppm2 0.446
ASSI { 449}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 109 and name HB1 ))
2.900 1.000 1.000 peak 449 weight 0.10000E+01 volume 0.15864E+01 ppm1 8.556 ppm2 1.079
OR { 449}
(( segid PTB and resid 109 and name HN ))
(( segid PTB and resid 109 and name HB2 ))
ASSI { 455}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 116 and name HA ))
2.100 0.700 0.700 peak 455 weight 0.10000E+01 volume 0.91263E+01 ppm1 8.037 ppm2 4.504
ASSI { 456}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 117 and name HA ))
2.700 0.900 0.900 peak 456 weight 0.10000E+01 volume 0.22090E+01 ppm1 8.035 ppm2 4.303
ASSI { 457}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 117 and name HB ))
2.500 0.900 0.900 peak 457 weight 0.10000E+01 volume 0.40375E+01 ppm1 8.035 ppm2 2.164
ASSI { 458}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 116 and name HB1 ))
2.800 1.000 1.000 peak 458 weight 0.10000E+01 volume 0.17013E+01 ppm1 8.035 ppm2 1.979
OR { 458}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 116 and name HG1 ))
ASSI { 459}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 116 and name HB2 ))
2.800 1.000 1.000 peak 459 weight 0.10000E+01 volume 0.16492E+01 ppm1 8.037 ppm2 1.598
ASSI { 460}
(( segid PTB and resid 117 and name HN ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
2.600 0.900 0.900 peak 460 weight 0.10000E+01 volume 0.27851E+01 ppm1 8.037 ppm2 1.148
ASSI { 476}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 122 and name HB2 ))
3.100 1.100 1.100 peak 476 weight 0.10000E+01 volume 0.10691E+01 ppm1 8.574 ppm2 2.982
OR { 476}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 122 and name HB1 ))
ASSI { 477}
(( segid PTB and resid 129 and name HN ))
(( segid PTB and resid 122 and name HN ))
3.000 1.000 1.000 peak 477 weight 0.10000E+01 volume 0.11946E+01 ppm1 8.566 ppm2 9.822
ASSI { 482}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 113 and name HB2 ))
3.200 1.100 1.100 peak 482 weight 0.10000E+01 volume 0.80630E+00 ppm1 8.458 ppm2 2.015
ASSI { 483}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 113 and name HB1 ))
2.700 0.900 0.900 peak 483 weight 0.10000E+01 volume 0.22219E+01 ppm1 8.460 ppm2 1.808
ASSI { 484}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 113 and name HG1 ))
3.000 1.000 1.000 peak 484 weight 0.10000E+01 volume 0.12930E+01 ppm1 8.463 ppm2 1.690
OR { 484}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 113 and name HG2 ))
ASSI { 487}
(( segid PTB and resid 68 and name HN ))
(( segid PTB and resid 68 and name HA ))
3.200 1.100 1.100 peak 487 weight 0.10000E+01 volume 0.87370E+00 ppm1 8.379 ppm2 4.047
ASSI { 488}
(( segid PTB and resid 68 and name HN ))
(( segid PTB and resid 68 and name HB1 ))
3.000 1.000 1.000 peak 488 weight 0.10000E+01 volume 0.11511E+01 ppm1 8.365 ppm2 1.840
OR { 488}
(( segid PTB and resid 68 and name HN ))
(( segid PTB and resid 68 and name HB2 ))
ASSI { 489}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 123 and name HA ))
2.100 0.700 0.700 peak 489 weight 0.10000E+01 volume 0.10184E+02 ppm1 8.326 ppm2 4.304
ASSI { 490}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
2.700 0.900 0.900 peak 490 weight 0.10000E+01 volume 0.23889E+01 ppm1 8.328 ppm2 0.587
ASSI { 493}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 124 and name HA ))
2.800 1.000 1.000 peak 493 weight 0.10000E+01 volume 0.19089E+01 ppm1 8.321 ppm2 5.163
ASSI { 494}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 128 and name HD21)
OR
( segid PTB and resid 128 and name HD23)
OR
( segid PTB and resid 128 and name HD22))
2.800 1.000 1.000 peak 494 weight 0.10000E+01 volume 0.17231E+01 ppm1 8.317 ppm2 0.760
ASSI { 502}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 164 and name HA ))
3.100 1.100 1.100 peak 502 weight 0.10000E+01 volume 0.96210E+00 ppm1 9.721 ppm2 5.956
ASSI { 503}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 163 and name HA ))
2.300 0.800 0.800 peak 503 weight 0.10000E+01 volume 0.65392E+01 ppm1 9.720 ppm2 5.461
ASSI { 504}
(( segid PTB and resid 164 and name HN ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.600 0.900 0.900 peak 504 weight 0.10000E+01 volume 0.31826E+01 ppm1 9.722 ppm2 0.987
ASSI { 508}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 113 and name HN ))
2.600 0.900 0.900 peak 508 weight 0.10000E+01 volume 0.29736E+01 ppm1 7.911 ppm2 8.466
ASSI { 511}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 114 and name HB2 ))
2.200 0.800 0.800 peak 511 weight 0.10000E+01 volume 0.71582E+01 ppm1 7.909 ppm2 1.674
OR { 511}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 114 and name HB1 ))
ASSI { 513}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 146 and name HN ))
2.500 0.900 0.900 peak 513 weight 0.10000E+01 volume 0.33053E+01 ppm1 7.715 ppm2 6.642
ASSI { 515}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 147 and name HB ))
2.400 0.800 0.800 peak 515 weight 0.10000E+01 volume 0.46108E+01 ppm1 7.720 ppm2 2.416
ASSI { 516}
(( segid PTB and resid 147 and name HN ))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
2.500 0.900 0.900 peak 516 weight 0.10000E+01 volume 0.31966E+01 ppm1 7.719 ppm2 0.919
ASSI { 521}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 196 and name HA ))
2.600 0.900 0.900 peak 521 weight 0.10000E+01 volume 0.28005E+01 ppm1 7.466 ppm2 4.182
ASSI { 522}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 195 and name HB1 ))
3.000 1.000 1.000 peak 522 weight 0.10000E+01 volume 0.11384E+01 ppm1 7.463 ppm2 3.353
ASSI { 523}
(( segid PTB and resid 196 and name HN ))
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
2.300 0.800 0.800 peak 523 weight 0.10000E+01 volume 0.63184E+01 ppm1 7.468 ppm2 1.572
ASSI { 528}
(( segid PTB and resid 148 and name HN ))
(( segid PTB and resid 164 and name HA ))
3.000 1.000 1.000 peak 528 weight 0.10000E+01 volume 0.12770E+01 ppm1 9.550 ppm2 5.943
ASSI { 529}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 77 and name HN ))
2.700 0.900 0.900 peak 529 weight 0.10000E+01 volume 0.21602E+01 ppm1 8.586 ppm2 8.084
ASSI { 530}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 76 and name HB ))
2.500 0.900 0.900 peak 530 weight 0.10000E+01 volume 0.39438E+01 ppm1 8.581 ppm2 2.109
ASSI { 531}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
3.200 1.100 1.100 peak 531 weight 0.10000E+01 volume 0.89830E+00 ppm1 8.582 ppm2 0.562
ASSI { 538}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 69 and name HN ))
2.700 0.900 0.900 peak 538 weight 0.10000E+01 volume 0.25027E+01 ppm1 7.965 ppm2 8.565
ASSI { 546}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 193 and name HB1 ))
2.600 0.900 0.900 peak 546 weight 0.10000E+01 volume 0.31524E+01 ppm1 7.485 ppm2 3.058
ASSI { 547}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 193 and name HB2 ))
2.800 1.000 1.000 peak 547 weight 0.10000E+01 volume 0.17789E+01 ppm1 7.483 ppm2 2.573
ASSI { 549}
(( segid PTB and resid 193 and name HN ))
(( segid PTB and resid 192 and name HA1 ))
3.000 1.000 1.000 peak 549 weight 0.10000E+01 volume 0.10951E+01 ppm1 7.483 ppm2 1.904
ASSI { 552}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 76 and name HA ))
2.800 1.000 1.000 peak 552 weight 0.10000E+01 volume 0.16461E+01 ppm1 8.589 ppm2 3.702
ASSI { 554}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
2.800 1.000 1.000 peak 554 weight 0.10000E+01 volume 0.18483E+01 ppm1 8.578 ppm2 1.340
ASSI { 555}
(( segid PTB and resid 76 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.500 0.900 0.900 peak 555 weight 0.10000E+01 volume 0.32909E+01 ppm1 8.580 ppm2 0.988
ASSI { 560}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 164 and name HA ))
2.700 0.900 0.900 peak 560 weight 0.10000E+01 volume 0.21384E+01 ppm1 8.248 ppm2 5.952
ASSI { 562}
(( segid PTB and resid 200 and name HN ))
(( segid PTB and resid 200 and name HB2 ))
2.600 0.900 0.900 peak 562 weight 0.10000E+01 volume 0.29000E+01 ppm1 8.283 ppm2 2.329
ASSI { 564}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 152 and name HA ))
2.500 0.900 0.900 peak 564 weight 0.10000E+01 volume 0.38293E+01 ppm1 8.226 ppm2 5.198
ASSI { 565}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 153 and name HB1 ))
2.700 0.900 0.900 peak 565 weight 0.10000E+01 volume 0.20583E+01 ppm1 8.225 ppm2 3.385
OR { 565}
(( segid PTB and resid 153 and name HN ))
(( segid PTB and resid 153 and name HB2 ))
ASSI { 570}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 69 and name HA ))
2.800 1.000 1.000 peak 570 weight 0.10000E+01 volume 0.17440E+01 ppm1 7.976 ppm2 4.742
ASSI { 572}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 70 and name HA ))
2.600 0.900 0.900 peak 572 weight 0.10000E+01 volume 0.30878E+01 ppm1 7.968 ppm2 4.166
ASSI { 573}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 69 and name HB1 ))
3.200 1.100 1.100 peak 573 weight 0.10000E+01 volume 0.82120E+00 ppm1 7.970 ppm2 3.002
ASSI { 574}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 70 and name HG1 ))
2.900 1.000 1.000 peak 574 weight 0.10000E+01 volume 0.15656E+01 ppm1 7.968 ppm2 2.390
OR { 574}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 70 and name HG2 ))
ASSI { 575}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 70 and name HB2 ))
2.400 0.800 0.800 peak 575 weight 0.10000E+01 volume 0.48435E+01 ppm1 7.970 ppm2 2.151
OR { 575}
(( segid PTB and resid 70 and name HN ))
(( segid PTB and resid 70 and name HB1 ))
ASSI { 580}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 84 and name HA ))
2.200 0.800 0.800 peak 580 weight 0.10000E+01 volume 0.85629E+01 ppm1 9.185 ppm2 4.950
ASSI { 581}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.400 0.800 0.800 peak 581 weight 0.10000E+01 volume 0.41915E+01 ppm1 9.185 ppm2 0.933
ASSI { 596}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 165 and name HA ))
3.200 1.100 1.100 peak 596 weight 0.10000E+01 volume 0.82160E+00 ppm1 8.250 ppm2 4.305
ASSI { 597}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 164 and name HB1 ))
2.900 1.000 1.000 peak 597 weight 0.10000E+01 volume 0.15439E+01 ppm1 8.245 ppm2 3.083
OR { 597}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 164 and name HB2 ))
ASSI { 607}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 120 and name HA ))
3.200 1.100 1.100 peak 607 weight 0.10000E+01 volume 0.82530E+00 ppm1 9.179 ppm2 5.200
ASSI { 609}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 162 and name HB2 ))
2.900 1.000 1.000 peak 609 weight 0.10000E+01 volume 0.14713E+01 ppm1 9.144 ppm2 3.652
ASSI { 610}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 162 and name HD1 )
OR
( segid PTB and resid 162 and name HD2 ))
3.100 1.100 1.100 peak 610 weight 0.10000E+01 volume 0.95420E+00 ppm1 9.134 ppm2 6.914
ASSI { 611}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 163 and name HG12))
2.800 1.000 1.000 peak 611 weight 0.10000E+01 volume 0.20144E+01 ppm1 9.133 ppm2 1.695
OR { 611}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 163 and name HG11))
ASSI { 614}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 184 and name HN ))
2.700 0.900 0.900 peak 614 weight 0.10000E+01 volume 0.22615E+01 ppm1 8.665 ppm2 9.444
ASSI { 617}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 183 and name HB1 ))
2.800 1.000 1.000 peak 617 weight 0.10000E+01 volume 0.16918E+01 ppm1 8.665 ppm2 4.457
ASSI { 618}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 184 and name HA1 ))
3.100 1.100 1.100 peak 618 weight 0.10000E+01 volume 0.98960E+00 ppm1 8.665 ppm2 4.299
ASSI { 619}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 185 and name HA ))
2.600 0.900 0.900 peak 619 weight 0.10000E+01 volume 0.25591E+01 ppm1 8.667 ppm2 3.909
ASSI { 620}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 185 and name HG2 ))
3.000 1.000 1.000 peak 620 weight 0.10000E+01 volume 0.11036E+01 ppm1 8.666 ppm2 2.529
OR { 620}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 185 and name HG1 ))
ASSI { 621}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 185 and name HB1 ))
2.300 0.800 0.800 peak 621 weight 0.10000E+01 volume 0.58990E+01 ppm1 8.665 ppm2 2.247
OR { 621}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 185 and name HB2 ))
ASSI { 634}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 155 and name HA ))
3.100 1.100 1.100 peak 634 weight 0.10000E+01 volume 0.97190E+00 ppm1 7.694 ppm2 4.735
ASSI { 635}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 156 and name HA ))
2.800 1.000 1.000 peak 635 weight 0.10000E+01 volume 0.17575E+01 ppm1 7.695 ppm2 4.572
ASSI { 637}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 155 and name HN ))
2.400 0.800 0.800 peak 637 weight 0.10000E+01 volume 0.43412E+01 ppm1 7.687 ppm2 8.743
ASSI { 639}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 156 and name HB1 ))
3.200 1.100 1.100 peak 639 weight 0.10000E+01 volume 0.87730E+00 ppm1 7.692 ppm2 3.041
ASSI { 640}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 160 and name HA ))
2.300 0.800 0.800 peak 640 weight 0.10000E+01 volume 0.54728E+01 ppm1 7.659 ppm2 5.139
ASSI { 642}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 151 and name HN ))
3.000 1.000 1.000 peak 642 weight 0.10000E+01 volume 0.11100E+01 ppm1 7.648 ppm2 8.560
ASSI { 648}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 198 and name HB2 ))
2.400 0.800 0.800 peak 648 weight 0.10000E+01 volume 0.42905E+01 ppm1 8.289 ppm2 3.227
OR { 648}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 198 and name HB1 ))
ASSI { 649}
(( segid PTB and resid 198 and name HN ))
(( segid PTB and resid 197 and name HB ))
2.600 0.900 0.900 peak 649 weight 0.10000E+01 volume 0.26716E+01 ppm1 8.285 ppm2 2.160
ASSI { 651}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 196 and name HN ))
2.700 0.900 0.900 peak 651 weight 0.10000E+01 volume 0.23414E+01 ppm1 8.222 ppm2 7.474
ASSI { 654}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
2.700 0.900 0.900 peak 654 weight 0.10000E+01 volume 0.22642E+01 ppm1 8.224 ppm2 1.576
ASSI { 655}
(( segid PTB and resid 197 and name HN ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
2.400 0.800 0.800 peak 655 weight 0.10000E+01 volume 0.51438E+01 ppm1 8.225 ppm2 1.015
ASSI { 658}
(( segid PTB and resid 205 and name HN ))
(( segid PTB and resid 205 and name HA ))
3.000 1.000 1.000 peak 658 weight 0.10000E+01 volume 0.12798E+01 ppm1 8.081 ppm2 4.376
ASSI { 659}
(( segid PTB and resid 205 and name HN ))
(( segid PTB and resid 204 and name HA ))
2.900 1.000 1.000 peak 659 weight 0.10000E+01 volume 0.13738E+01 ppm1 8.077 ppm2 4.253
ASSI { 661}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 72 and name HN ))
2.600 0.900 0.900 peak 661 weight 0.10000E+01 volume 0.29889E+01 ppm1 7.910 ppm2 8.225
ASSI { 663}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 70 and name HA ))
3.200 1.100 1.100 peak 663 weight 0.10000E+01 volume 0.83420E+00 ppm1 7.907 ppm2 4.167
ASSI { 664}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 73 and name HA ))
2.700 0.900 0.900 peak 664 weight 0.10000E+01 volume 0.20920E+01 ppm1 7.909 ppm2 3.870
ASSI { 665}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 73 and name HB2 ))
2.300 0.800 0.800 peak 665 weight 0.10000E+01 volume 0.55803E+01 ppm1 7.911 ppm2 2.281
OR { 665}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 73 and name HB1 ))
ASSI { 666}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 161 and name HA ))
2.900 1.000 1.000 peak 666 weight 0.10000E+01 volume 0.16329E+01 ppm1 7.659 ppm2 5.361
ASSI { 667}
(( segid PTB and resid 69 and name HN ))
(( segid PTB and resid 68 and name HA ))
2.800 1.000 1.000 peak 667 weight 0.10000E+01 volume 0.18274E+01 ppm1 8.573 ppm2 4.055
ASSI { 669}
(( segid PTB and resid 69 and name HN ))
(( segid PTB and resid 69 and name HD1 ))
3.000 1.000 1.000 peak 669 weight 0.10000E+01 volume 0.10956E+01 ppm1 8.562 ppm2 6.973
ASSI { 670}
(( segid PTB and resid 69 and name HN ))
(( segid PTB and resid 69 and name HA ))
2.600 0.900 0.900 peak 670 weight 0.10000E+01 volume 0.30840E+01 ppm1 8.564 ppm2 4.740
ASSI { 671}
(( segid PTB and resid 69 and name HN ))
(( segid PTB and resid 69 and name HB2 ))
3.100 1.100 1.100 peak 671 weight 0.10000E+01 volume 0.95520E+00 ppm1 8.563 ppm2 3.222
ASSI { 672}
(( segid PTB and resid 69 and name HN ))
(( segid PTB and resid 69 and name HB1 ))
2.700 0.900 0.900 peak 672 weight 0.10000E+01 volume 0.22121E+01 ppm1 8.567 ppm2 3.007
ASSI { 674}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 72 and name HB1 ))
3.000 1.000 1.000 peak 674 weight 0.10000E+01 volume 0.12172E+01 ppm1 7.918 ppm2 3.010
ASSI { 675}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 74 and name HN ))
2.600 0.900 0.900 peak 675 weight 0.10000E+01 volume 0.29351E+01 ppm1 7.860 ppm2 7.766
ASSI { 680}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 100 and name HN ))
2.700 0.900 0.900 peak 680 weight 0.10000E+01 volume 0.24696E+01 ppm1 6.865 ppm2 8.847
ASSI { 681}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 102 and name HN ))
2.500 0.900 0.900 peak 681 weight 0.10000E+01 volume 0.33286E+01 ppm1 6.865 ppm2 7.133
ASSI { 683}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 101 and name HB ))
2.300 0.800 0.800 peak 683 weight 0.10000E+01 volume 0.52651E+01 ppm1 6.865 ppm2 1.961
ASSI { 684}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
2.300 0.800 0.800 peak 684 weight 0.10000E+01 volume 0.62603E+01 ppm1 6.862 ppm2 0.857
ASSI { 688}
(( segid PTB and resid 67 and name HN ))
(( segid PTB and resid 70 and name HN ))
3.000 1.000 1.000 peak 688 weight 0.10000E+01 volume 0.11228E+01 ppm1 8.349 ppm2 7.951
ASSI { 689}
(( segid PTB and resid 67 and name HN ))
(( segid PTB and resid 67 and name HB2 ))
3.000 1.000 1.000 peak 689 weight 0.10000E+01 volume 0.12920E+01 ppm1 8.334 ppm2 3.048
OR { 689}
(( segid PTB and resid 67 and name HN ))
(( segid PTB and resid 67 and name HB1 ))
ASSI { 690}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 181 and name HN ))
2.900 1.000 1.000 peak 690 weight 0.10000E+01 volume 0.16354E+01 ppm1 8.255 ppm2 9.387
ASSI { 692}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 85 and name HA ))
2.600 0.900 0.900 peak 692 weight 0.10000E+01 volume 0.27323E+01 ppm1 8.258 ppm2 5.450
ASSI { 693}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 179 and name HA ))
2.400 0.800 0.800 peak 693 weight 0.10000E+01 volume 0.48302E+01 ppm1 8.257 ppm2 4.595
ASSI { 694}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 180 and name HA ))
2.800 1.000 1.000 peak 694 weight 0.10000E+01 volume 0.18863E+01 ppm1 8.257 ppm2 4.254
ASSI { 695}
(( segid PTB and resid 180 and name HN ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
3.000 1.000 1.000 peak 695 weight 0.10000E+01 volume 0.13270E+01 ppm1 8.261 ppm2 1.606
ASSI { 698}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 100 and name HA ))
3.000 1.000 1.000 peak 698 weight 0.10000E+01 volume 0.11119E+01 ppm1 6.863 ppm2 4.166
ASSI { 699}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 101 and name HA ))
2.500 0.900 0.900 peak 699 weight 0.10000E+01 volume 0.33348E+01 ppm1 6.863 ppm2 3.611
ASSI { 703}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 173 and name HG2 ))
2.700 0.900 0.900 peak 703 weight 0.10000E+01 volume 0.21081E+01 ppm1 9.174 ppm2 2.156
OR { 703}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 173 and name HG1 ))
ASSI { 704}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 164 and name HN ))
2.900 1.000 1.000 peak 704 weight 0.10000E+01 volume 0.14239E+01 ppm1 9.167 ppm2 9.720
ASSI { 706}
(( segid PTB and resid 151 and name HN ))
(( segid PTB and resid 150 and name HA ))
2.500 0.900 0.900 peak 706 weight 0.10000E+01 volume 0.36945E+01 ppm1 8.571 ppm2 5.407
ASSI { 710}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 102 and name HB2 ))
2.900 1.000 1.000 peak 710 weight 0.10000E+01 volume 0.15397E+01 ppm1 8.460 ppm2 3.010
ASSI { 712}
(( segid PTB and resid 67 and name HN ))
(( segid PTB and resid 66 and name HA ))
2.800 1.000 1.000 peak 712 weight 0.10000E+01 volume 0.18747E+01 ppm1 8.359 ppm2 4.213
ASSI { 714}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 69 and name HA ))
2.800 1.000 1.000 peak 714 weight 0.10000E+01 volume 0.17327E+01 ppm1 8.254 ppm2 4.733
ASSI { 719}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 204 and name HB2 ))
2.600 0.900 0.900 peak 719 weight 0.10000E+01 volume 0.26233E+01 ppm1 7.967 ppm2 1.898
OR { 719}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 204 and name HB1 ))
ASSI { 726}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 84 and name HB2 ))
2.400 0.800 0.800 peak 726 weight 0.10000E+01 volume 0.49953E+01 ppm1 9.380 ppm2 3.973
OR { 726}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 84 and name HB1 ))
ASSI { 727}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 83 and name HB1 ))
3.100 1.100 1.100 peak 727 weight 0.10000E+01 volume 0.10209E+01 ppm1 9.385 ppm2 2.896
ASSI { 731}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 178 and name HA ))
3.100 1.100 1.100 peak 731 weight 0.10000E+01 volume 0.10501E+01 ppm1 8.912 ppm2 4.950
ASSI { 733}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 178 and name HB2 ))
2.800 1.000 1.000 peak 733 weight 0.10000E+01 volume 0.18761E+01 ppm1 8.908 ppm2 1.569
OR { 733}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 178 and name HG ))
ASSI { 734}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 178 and name HB1 ))
2.700 0.900 0.900 peak 734 weight 0.10000E+01 volume 0.21391E+01 ppm1 8.912 ppm2 1.378
ASSI { 735}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 177 and name HA ))
2.400 0.800 0.800 peak 735 weight 0.10000E+01 volume 0.52151E+01 ppm1 8.905 ppm2 5.440
ASSI { 737}
(( segid PTB and resid 151 and name HN ))
(( segid PTB and resid 151 and name HA ))
3.000 1.000 1.000 peak 737 weight 0.10000E+01 volume 0.10913E+01 ppm1 8.580 ppm2 4.936
ASSI { 738}
(( segid PTB and resid 151 and name HN ))
(( segid PTB and resid 150 and name HB1 ))
3.100 1.100 1.100 peak 738 weight 0.10000E+01 volume 0.94430E+00 ppm1 8.580 ppm2 2.711
ASSI { 739}
(( segid PTB and resid 151 and name HN ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
2.800 1.000 1.000 peak 739 weight 0.10000E+01 volume 0.18882E+01 ppm1 8.574 ppm2 1.551
ASSI { 743}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 103 and name HA ))
2.700 0.900 0.900 peak 743 weight 0.10000E+01 volume 0.21999E+01 ppm1 8.460 ppm2 3.870
ASSI { 744}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 103 and name HG2 ))
2.600 0.900 0.900 peak 744 weight 0.10000E+01 volume 0.25951E+01 ppm1 8.461 ppm2 2.541
OR { 744}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 103 and name HG1 ))
ASSI { 746}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 103 and name HB2 ))
2.900 1.000 1.000 peak 746 weight 0.10000E+01 volume 0.15894E+01 ppm1 8.458 ppm2 1.948
OR { 746}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 103 and name HB1 ))
ASSI { 748}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 71 and name HN ))
2.800 1.000 1.000 peak 748 weight 0.10000E+01 volume 0.20160E+01 ppm1 8.226 ppm2 8.370
ASSI { 750}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 72 and name HA ))
2.700 0.900 0.900 peak 750 weight 0.10000E+01 volume 0.22779E+01 ppm1 8.225 ppm2 4.481
ASSI { 752}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 72 and name HB1 ))
2.700 0.900 0.900 peak 752 weight 0.10000E+01 volume 0.22922E+01 ppm1 8.227 ppm2 3.002
ASSI { 754}
(( segid PTB and resid 72 and name HN ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
2.700 0.900 0.900 peak 754 weight 0.10000E+01 volume 0.21458E+01 ppm1 8.230 ppm2 1.498
ASSI { 755}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 103 and name HN ))
2.700 0.900 0.900 peak 755 weight 0.10000E+01 volume 0.22650E+01 ppm1 8.178 ppm2 8.462
ASSI { 758}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 104 and name HA ))
2.600 0.900 0.900 peak 758 weight 0.10000E+01 volume 0.31924E+01 ppm1 8.180 ppm2 4.045
ASSI { 759}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 104 and name HG1 ))
2.500 0.900 0.900 peak 759 weight 0.10000E+01 volume 0.33699E+01 ppm1 8.178 ppm2 2.421
ASSI { 760}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 104 and name HB2 ))
2.200 0.800 0.800 peak 760 weight 0.10000E+01 volume 0.69775E+01 ppm1 8.178 ppm2 2.106
OR { 760}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 104 and name HB1 ))
ASSI { 762}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 192 and name HN ))
2.700 0.900 0.900 peak 762 weight 0.10000E+01 volume 0.23399E+01 ppm1 7.745 ppm2 8.344
ASSI { 764}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 190 and name HN ))
2.900 1.000 1.000 peak 764 weight 0.10000E+01 volume 0.13819E+01 ppm1 7.745 ppm2 7.359
ASSI { 765}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 191 and name HB ))
2.500 0.900 0.900 peak 765 weight 0.10000E+01 volume 0.37133E+01 ppm1 7.742 ppm2 2.129
ASSI { 766}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
2.700 0.900 0.900 peak 766 weight 0.10000E+01 volume 0.21478E+01 ppm1 7.745 ppm2 1.453
ASSI { 769}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 191 and name HA ))
2.900 1.000 1.000 peak 769 weight 0.10000E+01 volume 0.14169E+01 ppm1 7.734 ppm2 2.993
ASSI { 772}
(( segid PTB and resid 199 and name HN ))
(( segid PTB and resid 198 and name HB2 ))
3.100 1.100 1.100 peak 772 weight 0.10000E+01 volume 0.10789E+01 ppm1 8.220 ppm2 3.195
OR { 772}
(( segid PTB and resid 199 and name HN ))
(( segid PTB and resid 198 and name HB1 ))
ASSI { 774}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 202 and name HB1 ))
2.300 2.300 2.200 peak 774 weight 0.10000E+01 volume 0.62143E+01 ppm1 7.925 ppm2 1.994
OR { 774}
(( segid PTB and resid 204 and name HN ))
(( segid PTB and resid 202 and name HB2 ))
ASSI { 780}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 108 and name HA ))
2.500 0.900 0.900 peak 780 weight 0.10000E+01 volume 0.33471E+01 ppm1 7.438 ppm2 3.650
ASSI { 781}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 107 and name HB1 ))
2.500 0.900 0.900 peak 781 weight 0.10000E+01 volume 0.31964E+01 ppm1 7.443 ppm2 1.937
OR { 781}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 107 and name HB2 ))
ASSI { 782}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.300 0.800 0.800 peak 782 weight 0.10000E+01 volume 0.58276E+01 ppm1 7.439 ppm2 1.079
ASSI { 784}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 86 and name HB1 ))
3.200 1.100 1.100 peak 784 weight 0.10000E+01 volume 0.87620E+00 ppm1 9.177 ppm2 1.459
ASSI { 785}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 179 and name HA ))
3.100 1.100 1.100 peak 785 weight 0.10000E+01 volume 0.92080E+00 ppm1 9.163 ppm2 4.594
ASSI { 786}
(( segid PTB and resid 199 and name HN ))
(( segid PTB and resid 199 and name HB1 ))
3.100 1.100 1.100 peak 786 weight 0.10000E+01 volume 0.99990E+00 ppm1 8.196 ppm2 1.635
OR { 786}
(( segid PTB and resid 199 and name HN ))
(( segid PTB and resid 199 and name HB2 ))
ASSI { 788}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 77 and name HA ))
2.700 0.900 0.900 peak 788 weight 0.10000E+01 volume 0.21016E+01 ppm1 8.084 ppm2 3.875
ASSI { 789}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 77 and name HB2 ))
2.400 0.800 0.800 peak 789 weight 0.10000E+01 volume 0.41892E+01 ppm1 8.081 ppm2 1.885
ASSI { 790}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 77 and name HB1 ))
2.800 1.000 1.000 peak 790 weight 0.10000E+01 volume 0.19781E+01 ppm1 8.081 ppm2 1.750
ASSI { 793}
(( segid PTB and resid 108 and name HN ))
(( segid PTB and resid 108 and name HB ))
2.300 0.800 0.800 peak 793 weight 0.10000E+01 volume 0.64193E+01 ppm1 7.439 ppm2 2.274
ASSI { 796}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 85 and name HA ))
2.400 0.800 0.800 peak 796 weight 0.10000E+01 volume 0.44918E+01 ppm1 9.170 ppm2 5.450
ASSI { 798}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 86 and name HB2 ))
2.900 1.000 1.000 peak 798 weight 0.10000E+01 volume 0.14948E+01 ppm1 9.169 ppm2 1.858
ASSI { 802}
(( segid PTB and resid 201 and name HN ))
(( segid PTB and resid 200 and name HN ))
2.900 1.000 1.000 peak 802 weight 0.10000E+01 volume 0.14352E+01 ppm1 8.081 ppm2 8.299
ASSI { 808}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 139 and name HN ))
2.300 0.800 0.800 peak 808 weight 0.10000E+01 volume 0.57103E+01 ppm1 7.271 ppm2 8.820
ASSI { 810}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 140 and name HA ))
2.800 1.000 1.000 peak 810 weight 0.10000E+01 volume 0.17152E+01 ppm1 7.273 ppm2 4.081
ASSI { 811}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 139 and name HB ))
2.400 0.800 0.800 peak 811 weight 0.10000E+01 volume 0.43531E+01 ppm1 7.273 ppm2 1.732
ASSI { 813}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 139 and name HG11))
3.100 1.100 1.100 peak 813 weight 0.10000E+01 volume 0.91770E+00 ppm1 7.266 ppm2 1.318
OR { 813}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 139 and name HG12))
ASSI { 814}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 158 and name HA ))
2.900 1.000 1.000 peak 814 weight 0.10000E+01 volume 0.15238E+01 ppm1 9.855 ppm2 4.734
ASSI { 815}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 106 and name HA ))
2.700 0.900 0.900 peak 815 weight 0.10000E+01 volume 0.21924E+01 ppm1 8.521 ppm2 3.801
ASSI { 819}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 106 and name HN ))
2.500 0.900 0.900 peak 819 weight 0.10000E+01 volume 0.38540E+01 ppm1 7.553 ppm2 8.523
ASSI { 822}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 107 and name HA ))
2.500 0.900 0.900 peak 822 weight 0.10000E+01 volume 0.39812E+01 ppm1 7.554 ppm2 3.851
ASSI { 823}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 107 and name HB1 ))
2.100 0.700 0.700 peak 823 weight 0.10000E+01 volume 0.93255E+01 ppm1 7.553 ppm2 1.940
OR { 823}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 107 and name HB2 ))
ASSI { 824}
(( segid PTB and resid 107 and name HN ))
(( segid PTB and resid 106 and name HB1 ))
2.900 1.000 1.000 peak 824 weight 0.10000E+01 volume 0.13974E+01 ppm1 7.549 ppm2 1.758
ASSI { 828}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 140 and name HB ))
2.700 0.900 0.900 peak 828 weight 0.10000E+01 volume 0.20698E+01 ppm1 7.272 ppm2 1.547
ASSI { 829}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 139 and name HA ))
3.100 1.100 1.100 peak 829 weight 0.10000E+01 volume 0.94110E+00 ppm1 7.268 ppm2 4.265
ASSI { 830}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
2.800 1.000 1.000 peak 830 weight 0.10000E+01 volume 0.18973E+01 ppm1 7.265 ppm2 0.604
ASSI { 831}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 182 and name HB2 ))
3.200 1.100 1.100 peak 831 weight 0.10000E+01 volume 0.86500E+00 ppm1 7.056 ppm2 2.433
ASSI { 833}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 158 and name HB1 ))
3.000 1.000 1.000 peak 833 weight 0.10000E+01 volume 0.13089E+01 ppm1 9.859 ppm2 1.817
OR { 833}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 158 and name HG2 ))
OR { 833}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 158 and name HG1 ))
OR { 833}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 158 and name HB2 ))
ASSI { 840}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 106 and name HB1 ))
2.400 0.800 0.800 peak 840 weight 0.10000E+01 volume 0.47962E+01 ppm1 8.522 ppm2 1.766
ASSI { 841}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 106 and name HB2 ))
2.600 0.900 0.900 peak 841 weight 0.10000E+01 volume 0.31686E+01 ppm1 8.525 ppm2 1.545
ASSI { 843}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
2.900 1.000 1.000 peak 843 weight 0.10000E+01 volume 0.13844E+01 ppm1 8.521 ppm2 0.852
OR { 843}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
ASSI { 844}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 203 and name HG1 ))
3.200 1.100 1.100 peak 844 weight 0.10000E+01 volume 0.82720E+00 ppm1 8.065 ppm2 2.514
OR { 844}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 203 and name HG2 ))
ASSI { 845}
(( segid PTB and resid 203 and name HN ))
(( segid PTB and resid 203 and name HB1 ))
2.600 0.900 0.900 peak 845 weight 0.10000E+01 volume 0.31506E+01 ppm1 8.061 ppm2 2.190
ASSI { 853}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 103 and name HN ))
2.600 0.900 0.900 peak 853 weight 0.10000E+01 volume 0.28105E+01 ppm1 7.127 ppm2 8.461
ASSI { 857}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 102 and name HA ))
2.600 0.900 0.900 peak 857 weight 0.10000E+01 volume 0.27767E+01 ppm1 7.126 ppm2 4.178
ASSI { 858}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 102 and name HB1 ))
3.000 1.000 1.000 peak 858 weight 0.10000E+01 volume 0.11524E+01 ppm1 7.125 ppm2 3.175
ASSI { 859}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 102 and name HB2 ))
2.700 0.900 0.900 peak 859 weight 0.10000E+01 volume 0.25202E+01 ppm1 7.126 ppm2 2.999
ASSI { 861}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 101 and name HB ))
2.500 0.900 0.900 peak 861 weight 0.10000E+01 volume 0.36552E+01 ppm1 7.125 ppm2 1.956
ASSI { 862}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.800 1.000 1.000 peak 862 weight 0.10000E+01 volume 0.17162E+01 ppm1 7.127 ppm2 0.829
OR { 862}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
ASSI { 863}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 181 and name HN ))
2.300 0.800 0.800 peak 863 weight 0.10000E+01 volume 0.64544E+01 ppm1 7.058 ppm2 9.387
ASSI { 865}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 182 and name HA ))
2.700 0.900 0.900 peak 865 weight 0.10000E+01 volume 0.22533E+01 ppm1 7.059 ppm2 5.032
ASSI { 868}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 182 and name HB1 ))
2.700 0.900 0.900 peak 868 weight 0.10000E+01 volume 0.24352E+01 ppm1 7.057 ppm2 2.085
ASSI { 869}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 181 and name HB1 ))
3.100 1.100 1.100 peak 869 weight 0.10000E+01 volume 0.90210E+00 ppm1 7.055 ppm2 1.838
ASSI { 870}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.500 0.900 0.900 peak 870 weight 0.10000E+01 volume 0.34421E+01 ppm1 7.057 ppm2 1.598
ASSI { 876}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 100 and name HG1 ))
2.900 1.000 1.000 peak 876 weight 0.10000E+01 volume 0.13767E+01 ppm1 8.820 ppm2 2.412
OR { 876}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 100 and name HB2 ))
OR { 876}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 100 and name HG2 ))
ASSI { 879}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 135 and name HN ))
2.300 0.800 0.800 peak 879 weight 0.10000E+01 volume 0.57787E+01 ppm1 8.815 ppm2 8.092
ASSI { 880}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 134 and name HA ))
2.500 0.900 0.900 peak 880 weight 0.10000E+01 volume 0.35769E+01 ppm1 8.814 ppm2 4.232
ASSI { 882}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 134 and name HB1 ))
2.100 0.700 0.700 peak 882 weight 0.10000E+01 volume 0.10404E+02 ppm1 8.813 ppm2 2.246
OR { 882}
(( segid PTB and resid 134 and name HN ))
(( segid PTB and resid 134 and name HB2 ))
ASSI { 886}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 111 and name HN ))
2.600 0.900 0.900 peak 886 weight 0.10000E+01 volume 0.31183E+01 ppm1 8.457 ppm2 7.519
ASSI { 887}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 110 and name HA ))
2.600 0.900 0.900 peak 887 weight 0.10000E+01 volume 0.29561E+01 ppm1 8.461 ppm2 3.999
ASSI { 889}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 110 and name HB2 ))
2.300 0.800 0.800 peak 889 weight 0.10000E+01 volume 0.60981E+01 ppm1 8.459 ppm2 1.849
OR { 889}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 110 and name HB1 ))
ASSI { 890}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 109 and name HB1 ))
3.200 1.100 1.100 peak 890 weight 0.10000E+01 volume 0.84420E+00 ppm1 8.466 ppm2 1.054
OR { 890}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 109 and name HB2 ))
ASSI { 894}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 173 and name HA ))
3.200 1.100 1.100 peak 894 weight 0.10000E+01 volume 0.82620E+00 ppm1 8.274 ppm2 5.273
ASSI { 895}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 92 and name HA ))
2.400 0.800 0.800 peak 895 weight 0.10000E+01 volume 0.44873E+01 ppm1 8.271 ppm2 5.026
ASSI { 897}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 92 and name HB2 ))
2.900 1.000 1.000 peak 897 weight 0.10000E+01 volume 0.15163E+01 ppm1 8.265 ppm2 1.666
OR { 897}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 92 and name HB1 ))
ASSI { 906}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 176 and name HA1 ))
2.600 0.900 0.900 peak 906 weight 0.10000E+01 volume 0.30752E+01 ppm1 9.160 ppm2 4.909
ASSI { 908}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
3.000 1.000 1.000 peak 908 weight 0.10000E+01 volume 0.12894E+01 ppm1 9.167 ppm2 0.847
OR { 908}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
ASSI { 912}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 128 and name HA ))
2.800 1.000 1.000 peak 912 weight 0.10000E+01 volume 0.16948E+01 ppm1 8.549 ppm2 5.311
ASSI { 913}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 127 and name HA2 ))
2.500 0.900 0.900 peak 913 weight 0.10000E+01 volume 0.33647E+01 ppm1 8.549 ppm2 4.460
ASSI { 914}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 127 and name HA1 ))
2.600 0.900 0.900 peak 914 weight 0.10000E+01 volume 0.31808E+01 ppm1 8.550 ppm2 4.003
ASSI { 917}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 110 and name HG1 ))
3.100 1.100 1.100 peak 917 weight 0.10000E+01 volume 0.10155E+01 ppm1 8.458 ppm2 1.426
OR { 917}
(( segid PTB and resid 110 and name HN ))
(( segid PTB and resid 110 and name HG2 ))
ASSI { 919}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 93 and name HA ))
2.400 0.800 0.800 peak 919 weight 0.10000E+01 volume 0.41667E+01 ppm1 8.255 ppm2 4.440
ASSI { 923}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 74 and name HA ))
2.600 0.900 0.900 peak 923 weight 0.10000E+01 volume 0.28736E+01 ppm1 7.729 ppm2 3.989
ASSI { 925}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 74 and name HB2 ))
2.400 0.800 0.800 peak 925 weight 0.10000E+01 volume 0.50514E+01 ppm1 7.730 ppm2 2.093
OR { 925}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 74 and name HB1 ))
ASSI { 928}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 170 and name HN ))
2.800 1.000 1.000 peak 928 weight 0.10000E+01 volume 0.19493E+01 ppm1 7.350 ppm2 7.924
ASSI { 934}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 170 and name HB1 ))
3.200 3.200 1.300 peak 934 weight 0.10000E+01 volume 0.83890E+00 ppm1 7.351 ppm2 1.883
OR { 934}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 170 and name HB2 ))
ASSI { 936}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 171 and name HG1 ))
2.500 0.900 0.900 peak 936 weight 0.10000E+01 volume 0.36006E+01 ppm1 7.352 ppm2 1.468
OR { 936}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 171 and name HG2 ))
ASSI { 938}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
2.800 1.000 1.000 peak 938 weight 0.10000E+01 volume 0.17237E+01 ppm1 9.149 ppm2 7.325
ASSI { 943}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 94 and name HN ))
2.400 0.800 0.800 peak 943 weight 0.10000E+01 volume 0.45509E+01 ppm1 7.185 ppm2 8.719
ASSI { 945}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 94 and name HA ))
3.000 1.000 1.000 peak 945 weight 0.10000E+01 volume 0.12192E+01 ppm1 7.186 ppm2 4.872
ASSI { 946}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 95 and name HA ))
2.600 0.900 0.900 peak 946 weight 0.10000E+01 volume 0.28405E+01 ppm1 7.187 ppm2 4.296
ASSI { 947}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 93 and name HB ))
2.500 0.900 0.900 peak 947 weight 0.10000E+01 volume 0.35827E+01 ppm1 7.183 ppm2 2.211
ASSI { 948}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 95 and name HB1 ))
2.600 0.900 0.900 peak 948 weight 0.10000E+01 volume 0.27263E+01 ppm1 7.186 ppm2 1.638
ASSI { 950}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.700 0.900 0.900 peak 950 weight 0.10000E+01 volume 0.21233E+01 ppm1 7.184 ppm2 0.679
ASSI { 954}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 90 and name HA ))
2.300 0.800 0.800 peak 954 weight 0.10000E+01 volume 0.67008E+01 ppm1 8.354 ppm2 5.762
ASSI { 955}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 91 and name HA ))
2.700 0.900 0.900 peak 955 weight 0.10000E+01 volume 0.21767E+01 ppm1 8.354 ppm2 4.390
ASSI { 957}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
2.800 1.000 1.000 peak 957 weight 0.10000E+01 volume 0.18593E+01 ppm1 8.355 ppm2 0.787
ASSI { 958}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 90 and name HB1 ))
2.600 0.900 0.900 peak 958 weight 0.10000E+01 volume 0.26608E+01 ppm1 8.351 ppm2 1.596
ASSI { 961}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 95 and name HB2 ))
3.100 1.100 1.100 peak 961 weight 0.10000E+01 volume 0.90340E+00 ppm1 7.185 ppm2 2.025
ASSI { 966}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 169 and name HN ))
2.700 0.900 0.900 peak 966 weight 0.10000E+01 volume 0.23220E+01 ppm1 7.931 ppm2 7.579
ASSI { 968}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 169 and name HA ))
2.700 0.900 0.900 peak 968 weight 0.10000E+01 volume 0.24838E+01 ppm1 7.932 ppm2 4.395
ASSI { 969}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 170 and name HA ))
2.300 0.800 0.800 peak 969 weight 0.10000E+01 volume 0.64986E+01 ppm1 7.931 ppm2 3.693
ASSI { 970}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 170 and name HG1 ))
2.700 0.900 0.900 peak 970 weight 0.10000E+01 volume 0.20504E+01 ppm1 7.930 ppm2 1.478
OR { 970}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 170 and name HG2 ))
ASSI { 972}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 169 and name HB ))
2.800 1.000 1.000 peak 972 weight 0.10000E+01 volume 0.18391E+01 ppm1 7.927 ppm2 4.261
ASSI { 976}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.700 0.900 0.900 peak 976 weight 0.10000E+01 volume 0.23183E+01 ppm1 8.603 ppm2 1.169
ASSI { 977}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 145 and name HB1 ))
2.800 1.000 1.000 peak 977 weight 0.10000E+01 volume 0.18579E+01 ppm1 8.596 ppm2 2.100
ASSI { 978}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 145 and name HB2 ))
2.700 0.900 0.900 peak 978 weight 0.10000E+01 volume 0.24877E+01 ppm1 8.593 ppm2 2.018
ASSI { 979}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.900 1.000 1.000 peak 979 weight 0.10000E+01 volume 0.14015E+01 ppm1 8.594 ppm2 1.361
ASSI { 984}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 111 and name HG2 ))
3.100 1.100 1.100 peak 984 weight 0.10000E+01 volume 0.95370E+00 ppm1 7.509 ppm2 2.411
ASSI { 985}
(( segid PTB and resid 181 and name HN ))
(( segid PTB and resid 181 and name HB1 ))
3.100 1.100 1.100 peak 985 weight 0.10000E+01 volume 0.10469E+01 ppm1 9.391 ppm2 1.850
ASSI { 989}
(( segid PTB and resid 181 and name HN ))
(( segid PTB and resid 181 and name HA ))
3.100 1.100 1.100 peak 989 weight 0.10000E+01 volume 0.10523E+01 ppm1 9.382 ppm2 4.587
ASSI { 993}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 146 and name HN ))
2.800 1.000 1.000 peak 993 weight 0.10000E+01 volume 0.16545E+01 ppm1 8.594 ppm2 6.641
ASSI { 995}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 145 and name HG1 ))
2.900 1.000 1.000 peak 995 weight 0.10000E+01 volume 0.15281E+01 ppm1 8.592 ppm2 2.293
OR { 995}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 145 and name HG2 ))
ASSI { 998}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 134 and name HN ))
3.100 1.100 1.100 peak 998 weight 0.10000E+01 volume 0.90320E+00 ppm1 8.066 ppm2 8.813
ASSI { 999}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 137 and name HN ))
2.600 0.900 0.900 peak 999 weight 0.10000E+01 volume 0.26217E+01 ppm1 8.072 ppm2 8.384
ASSI { 1001}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 135 and name HA ))
3.100 1.100 1.100 peak 1001 weight 0.10000E+01 volume 0.10510E+01 ppm1 8.066 ppm2 4.378
OR { 1001}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 135 and name HB ))
ASSI { 1002}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 136 and name HA ))
2.100 0.700 0.700 peak 1002 weight 0.10000E+01 volume 0.93303E+01 ppm1 8.070 ppm2 4.102
ASSI { 1007}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 111 and name HA ))
2.400 0.800 0.800 peak 1007 weight 0.10000E+01 volume 0.42669E+01 ppm1 7.518 ppm2 4.377
ASSI { 1008}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 110 and name HA ))
2.900 1.000 1.000 peak 1008 weight 0.10000E+01 volume 0.13467E+01 ppm1 7.519 ppm2 3.996
ASSI { 1009}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 111 and name HB1 ))
2.800 1.000 1.000 peak 1009 weight 0.10000E+01 volume 0.17378E+01 ppm1 7.518 ppm2 2.247
ASSI { 1011}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 110 and name HB1 ))
3.000 1.000 1.000 peak 1011 weight 0.10000E+01 volume 0.13232E+01 ppm1 7.519 ppm2 1.870
OR { 1011}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 110 and name HB2 ))
ASSI { 1013}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 108 and name HA ))
3.100 1.100 1.100 peak 1013 weight 0.10000E+01 volume 0.10284E+01 ppm1 7.511 ppm2 3.645
ASSI { 1014}
(( segid PTB and resid 111 and name HN ))
(( segid PTB and resid 111 and name HG1 ))
2.800 1.000 1.000 peak 1014 weight 0.10000E+01 volume 0.19278E+01 ppm1 7.517 ppm2 2.577
ASSI { 1018}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 82 and name HA ))
2.300 0.800 0.800 peak 1018 weight 0.10000E+01 volume 0.59581E+01 ppm1 8.571 ppm2 5.422
ASSI { 1020}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 82 and name HB1 ))
3.000 1.000 1.000 peak 1020 weight 0.10000E+01 volume 0.11783E+01 ppm1 8.566 ppm2 3.013
ASSI { 1026}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 195 and name HD1 )
OR
( segid PTB and resid 195 and name HD2 ))
2.800 1.000 1.000 peak 1026 weight 0.10000E+01 volume 0.20018E+01 ppm1 8.250 ppm2 7.029
ASSI { 1027}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 195 and name HA ))
2.800 1.000 1.000 peak 1027 weight 0.10000E+01 volume 0.17468E+01 ppm1 8.254 ppm2 4.303
ASSI { 1029}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 195 and name HB1 ))
3.200 1.100 1.100 peak 1029 weight 0.10000E+01 volume 0.89500E+00 ppm1 8.262 ppm2 3.351
ASSI { 1030}
(( segid PTB and resid 195 and name HN ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.700 0.900 0.900 peak 1030 weight 0.10000E+01 volume 0.25171E+01 ppm1 8.257 ppm2 1.251
ASSI { 1034}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 82 and name HB2 ))
3.100 1.100 1.100 peak 1034 weight 0.10000E+01 volume 0.10451E+01 ppm1 8.585 ppm2 3.397
ASSI { 1035}
(( segid PTB and resid 83 and name HN ))
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
3.100 1.100 1.100 peak 1035 weight 0.10000E+01 volume 0.95680E+00 ppm1 8.572 ppm2 6.961
ASSI { 1043}
(( segid PTB and resid 94 and name HN ))
(( segid PTB and resid 94 and name HB1 ))
3.000 1.000 1.000 peak 1043 weight 0.10000E+01 volume 0.11944E+01 ppm1 8.722 ppm2 2.739
ASSI { 1045}
(( segid PTB and resid 94 and name HN ))
(( segid PTB and resid 94 and name HD1 )
OR
( segid PTB and resid 94 and name HD2 ))
3.100 1.100 1.100 peak 1045 weight 0.10000E+01 volume 0.97800E+00 ppm1 8.710 ppm2 7.319
ASSI { 1047}
(( segid PTB and resid 94 and name HN ))
(( segid PTB and resid 94 and name HA ))
3.100 1.100 1.100 peak 1047 weight 0.10000E+01 volume 0.94520E+00 ppm1 8.712 ppm2 4.869
ASSI { 1048}
(( segid PTB and resid 94 and name HN ))
(( segid PTB and resid 93 and name HA ))
2.600 0.900 0.900 peak 1048 weight 0.10000E+01 volume 0.30656E+01 ppm1 8.711 ppm2 4.414
ASSI { 1049}
(( segid PTB and resid 94 and name HN ))
(( segid PTB and resid 93 and name HB ))
2.600 0.900 0.900 peak 1049 weight 0.10000E+01 volume 0.29028E+01 ppm1 8.712 ppm2 2.212
ASSI { 1057}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 189 and name HB1 ))
2.700 0.900 0.900 peak 1057 weight 0.10000E+01 volume 0.22772E+01 ppm1 8.075 ppm2 3.291
ASSI { 1058}
(( segid PTB and resid 189 and name HN ))
(( segid PTB and resid 189 and name HB2 ))
2.700 0.900 0.900 peak 1058 weight 0.10000E+01 volume 0.20642E+01 ppm1 8.074 ppm2 2.648
ASSI { 1070}
(( segid PTB and resid 206 and name HN ))
(( segid PTB and resid 206 and name HA ))
2.700 0.900 0.900 peak 1070 weight 0.10000E+01 volume 0.21239E+01 ppm1 8.059 ppm2 4.317
ASSI { 1072}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 155 and name HA ))
2.700 0.900 0.900 peak 1072 weight 0.10000E+01 volume 0.23583E+01 ppm1 8.747 ppm2 4.735
ASSI { 1073}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 155 and name HB2 ))
2.900 1.000 1.000 peak 1073 weight 0.10000E+01 volume 0.15363E+01 ppm1 8.746 ppm2 2.670
ASSI { 1074}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 154 and name HN ))
2.700 0.900 0.900 peak 1074 weight 0.10000E+01 volume 0.22427E+01 ppm1 8.746 ppm2 8.914
ASSI { 1077}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 155 and name HB1 ))
2.600 0.900 0.900 peak 1077 weight 0.10000E+01 volume 0.30987E+01 ppm1 8.744 ppm2 2.829
ASSI { 1083}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 111 and name HN ))
2.300 0.800 0.800 peak 1083 weight 0.10000E+01 volume 0.59916E+01 ppm1 7.314 ppm2 7.524
ASSI { 1089}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 125 and name HN ))
2.700 0.900 0.900 peak 1089 weight 0.10000E+01 volume 0.24320E+01 ppm1 7.919 ppm2 9.136
ASSI { 1091}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 127 and name HN ))
2.300 0.800 0.800 peak 1091 weight 0.10000E+01 volume 0.57243E+01 ppm1 7.917 ppm2 7.544
ASSI { 1092}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 126 and name HA ))
2.500 0.900 0.900 peak 1092 weight 0.10000E+01 volume 0.33515E+01 ppm1 7.919 ppm2 4.806
ASSI { 1095}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 125 and name HA1 ))
2.900 1.000 1.000 peak 1095 weight 0.10000E+01 volume 0.14176E+01 ppm1 7.922 ppm2 3.604
ASSI { 1096}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 126 and name HB2 ))
3.000 1.000 1.000 peak 1096 weight 0.10000E+01 volume 0.11771E+01 ppm1 7.916 ppm2 2.712
ASSI { 1097}
(( segid PTB and resid 126 and name HN ))
(( segid PTB and resid 126 and name HB1 ))
2.500 0.900 0.900 peak 1097 weight 0.10000E+01 volume 0.33897E+01 ppm1 7.919 ppm2 2.472
ASSI { 1099}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 111 and name HB1 ))
3.200 1.100 1.100 peak 1099 weight 0.10000E+01 volume 0.82150E+00 ppm1 7.307 ppm2 2.235
ASSI { 1100}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 96 and name HA ))
3.000 1.000 1.000 peak 1100 weight 0.10000E+01 volume 0.11570E+01 ppm1 6.831 ppm2 3.004
ASSI { 1101}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 95 and name HG2 ))
3.200 1.100 1.100 peak 1101 weight 0.10000E+01 volume 0.88700E+00 ppm1 6.833 ppm2 2.196
OR { 1101}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 95 and name HG1 ))
ASSI { 1104}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 96 and name HN ))
2.500 0.900 0.900 peak 1104 weight 0.10000E+01 volume 0.32103E+01 ppm1 6.837 ppm2 7.579
ASSI { 1106}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 97 and name HA ))
2.700 0.900 0.900 peak 1106 weight 0.10000E+01 volume 0.22649E+01 ppm1 6.831 ppm2 3.573
ASSI { 1107}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 95 and name HB2 ))
2.500 0.900 0.900 peak 1107 weight 0.10000E+01 volume 0.32514E+01 ppm1 6.834 ppm2 2.031
ASSI { 1108}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 95 and name HB1 ))
2.900 1.000 1.000 peak 1108 weight 0.10000E+01 volume 0.13667E+01 ppm1 6.836 ppm2 1.631
ASSI { 1110}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 97 and name HG2 ))
3.100 1.100 1.100 peak 1110 weight 0.10000E+01 volume 0.10390E+01 ppm1 6.839 ppm2 1.342
OR { 1110}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 97 and name HG1 ))
ASSI { 1111}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 97 and name HB1 ))
3.000 1.000 1.000 peak 1111 weight 0.10000E+01 volume 0.11123E+01 ppm1 6.834 ppm2 1.091
ASSI { 1117}
(( segid PTB and resid 168 and name HN ))
(( segid PTB and resid 169 and name HN ))
2.600 0.900 0.900 peak 1117 weight 0.10000E+01 volume 0.27615E+01 ppm1 8.209 ppm2 7.581
ASSI { 1119}
(( segid PTB and resid 168 and name HN ))
(( segid PTB and resid 167 and name HA2 ))
3.000 1.000 1.000 peak 1119 weight 0.10000E+01 volume 0.11943E+01 ppm1 8.211 ppm2 3.961
ASSI { 1120}
(( segid PTB and resid 168 and name HN ))
(( segid PTB and resid 168 and name HG21)
OR
( segid PTB and resid 168 and name HG23)
OR
( segid PTB and resid 168 and name HG22))
2.900 1.000 1.000 peak 1120 weight 0.10000E+01 volume 0.14887E+01 ppm1 8.212 ppm2 1.229
ASSI { 1121}
(( segid PTB and resid 168 and name HN ))
(( segid PTB and resid 167 and name HN ))
3.000 1.000 1.000 peak 1121 weight 0.10000E+01 volume 0.11350E+01 ppm1 8.210 ppm2 8.499
ASSI { 1122}
(( segid PTB and resid 168 and name HN ))
(( segid PTB and resid 168 and name HA ))
2.600 0.900 0.900 peak 1122 weight 0.10000E+01 volume 0.28198E+01 ppm1 8.209 ppm2 4.302
OR { 1122}
(( segid PTB and resid 168 and name HN ))
(( segid PTB and resid 168 and name HB ))
ASSI { 1130}
(( segid PTB and resid 167 and name HN ))
(( segid PTB and resid 166 and name HA ))
2.800 1.000 1.000 peak 1130 weight 0.10000E+01 volume 0.19000E+01 ppm1 8.498 ppm2 4.723
ASSI { 1131}
(( segid PTB and resid 167 and name HN ))
(( segid PTB and resid 167 and name HA1 ))
2.800 1.000 1.000 peak 1131 weight 0.10000E+01 volume 0.17514E+01 ppm1 8.500 ppm2 3.824
ASSI { 1133}
(( segid PTB and resid 167 and name HN ))
(( segid PTB and resid 167 and name HA2 ))
2.500 0.900 0.900 peak 1133 weight 0.10000E+01 volume 0.32791E+01 ppm1 8.495 ppm2 3.965
ASSI { 1136}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 118 and name HA ))
2.100 0.700 0.700 peak 1136 weight 0.10000E+01 volume 0.11238E+02 ppm1 9.116 ppm2 4.959
ASSI { 1137}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 119 and name HA2 ))
2.900 1.000 1.000 peak 1137 weight 0.10000E+01 volume 0.15259E+01 ppm1 9.116 ppm2 4.653
ASSI { 1138}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 119 and name HA1 ))
2.800 1.000 1.000 peak 1138 weight 0.10000E+01 volume 0.18148E+01 ppm1 9.119 ppm2 4.202
ASSI { 1139}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 118 and name HG2 ))
3.200 1.100 1.100 peak 1139 weight 0.10000E+01 volume 0.88150E+00 ppm1 9.114 ppm2 1.686
OR { 1139}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 118 and name HG1 ))
ASSI { 1140}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
3.000 1.000 1.000 peak 1140 weight 0.10000E+01 volume 0.12313E+01 ppm1 9.111 ppm2 0.949
OR { 1140}
(( segid PTB and resid 119 and name HN ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
ASSI { 1147}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.500 0.900 0.900 peak 1147 weight 0.10000E+01 volume 0.36080E+01 ppm1 6.644 ppm2 1.366
ASSI { 1149}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 145 and name HG1 ))
3.000 1.000 1.000 peak 1149 weight 0.10000E+01 volume 0.12080E+01 ppm1 6.639 ppm2 2.293
OR { 1149}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 145 and name HG2 ))
ASSI { 1152}
(( segid PTB and resid 201 and name HE ))
(( segid PTB and resid 201 and name HB1 ))
3.100 1.100 1.100 peak 1152 weight 0.10000E+01 volume 0.97560E+00 ppm1 7.298 ppm2 1.985
OR { 1152}
(( segid PTB and resid 201 and name HE ))
(( segid PTB and resid 201 and name HB2 ))
ASSI { 1153}
(( segid PTB and resid 201 and name HE ))
(( segid PTB and resid 201 and name HG2 ))
3.000 1.000 1.000 peak 1153 weight 0.10000E+01 volume 0.11121E+01 ppm1 7.302 ppm2 1.727
OR { 1153}
(( segid PTB and resid 201 and name HE ))
(( segid PTB and resid 201 and name HG1 ))
ASSI { 1156}
(( segid PTB and resid 201 and name HE ))
(( segid PTB and resid 201 and name HD1 ))
3.100 1.100 1.100 peak 1156 weight 0.10000E+01 volume 0.10329E+01 ppm1 7.289 ppm2 3.140
OR { 1156}
(( segid PTB and resid 201 and name HE ))
(( segid PTB and resid 201 and name HD2 ))
ASSI { 1158}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 146 and name HA ))
3.000 1.000 1.000 peak 1158 weight 0.10000E+01 volume 0.11497E+01 ppm1 6.644 ppm2 4.462
ASSI { 1177}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 171 and name HG2 ))
2.700 0.900 0.900 peak 1177 weight 0.10000E+01 volume 0.21015E+01 ppm1 7.178 ppm2 1.471
OR { 1177}
(( segid PTB and resid 171 and name HE ))
(( segid PTB and resid 171 and name HG1 ))
ASSI { 1181}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 161 and name HB2 ))
2.700 0.900 0.900 peak 1181 weight 0.10000E+01 volume 0.24474E+01 ppm1 8.125 ppm2 3.589
OR { 1181}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 161 and name HB1 ))
ASSI { 1184}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 77 and name HB2 ))
2.800 1.000 1.000 peak 1184 weight 0.10000E+01 volume 0.18157E+01 ppm1 8.030 ppm2 1.885
ASSI { 1185}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 78 and name HA ))
2.600 0.900 0.900 peak 1185 weight 0.10000E+01 volume 0.26990E+01 ppm1 8.028 ppm2 4.485
ASSI { 1187}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 78 and name HB1 ))
2.700 0.900 0.900 peak 1187 weight 0.10000E+01 volume 0.23644E+01 ppm1 8.026 ppm2 3.891
OR { 1187}
(( segid PTB and resid 78 and name HN ))
(( segid PTB and resid 78 and name HB2 ))
ASSI { 1220}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 162 and name HA ))
2.900 1.000 1.000 peak 1220 weight 0.10000E+01 volume 0.14418E+01 ppm1 8.128 ppm2 5.501
ASSI { 1221}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 161 and name HA ))
2.300 0.800 0.800 peak 1221 weight 0.10000E+01 volume 0.57712E+01 ppm1 8.126 ppm2 5.357
ASSI { 1225}
(( segid PTB and resid 68 and name HE21))
(( segid PTB and resid 68 and name HG2 ))
3.100 1.100 1.100 peak 1225 weight 0.10000E+01 volume 0.10329E+01 ppm1 7.132 ppm2 2.036
ASSI { 1228}
(( segid PTB and resid 129 and name HE ))
(( segid PTB and resid 129 and name HD1 ))
2.300 0.800 0.800 peak 1228 weight 0.10000E+01 volume 0.52795E+01 ppm1 7.031 ppm2 2.964
OR { 1228}
(( segid PTB and resid 129 and name HE ))
(( segid PTB and resid 129 and name HD2 ))
ASSI { 1229}
(( segid PTB and resid 129 and name HE ))
(( segid PTB and resid 129 and name HG1 ))
2.600 0.900 0.900 peak 1229 weight 0.10000E+01 volume 0.25527E+01 ppm1 7.030 ppm2 1.641
OR { 1229}
(( segid PTB and resid 129 and name HE ))
(( segid PTB and resid 129 and name HG2 ))
OR { 1229}
(( segid PTB and resid 129 and name HE ))
(( segid PTB and resid 129 and name HB2 ))
ASSI { 1230}
(( segid PTB and resid 129 and name HE ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
2.900 1.000 1.000 peak 1230 weight 0.10000E+01 volume 0.15263E+01 ppm1 7.029 ppm2 0.853
OR { 1230}
(( segid PTB and resid 129 and name HE ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
ASSI { 1244}
(( segid PTB and resid 165 and name HE ))
(( segid PTB and resid 165 and name HD2 ))
3.200 1.100 1.100 peak 1244 weight 0.10000E+01 volume 0.82850E+00 ppm1 6.965 ppm2 2.184
OR { 1244}
(( segid PTB and resid 165 and name HE ))
(( segid PTB and resid 165 and name HD1 ))
ASSI { 1250}
(( segid PTB and resid 183 and name HN ))
(( segid PTB and resid 182 and name HA ))
2.200 0.800 0.800 peak 1250 weight 0.10000E+01 volume 0.75565E+01 ppm1 8.324 ppm2 5.031
ASSI { 1253}
(( segid PTB and resid 183 and name HN ))
(( segid PTB and resid 183 and name HA ))
2.800 1.000 1.000 peak 1253 weight 0.10000E+01 volume 0.19709E+01 ppm1 8.319 ppm2 4.594
ASSI { 1254}
(( segid PTB and resid 183 and name HN ))
(( segid PTB and resid 183 and name HB1 ))
2.900 1.000 1.000 peak 1254 weight 0.10000E+01 volume 0.13794E+01 ppm1 8.322 ppm2 4.436
ASSI { 1255}
(( segid PTB and resid 183 and name HN ))
(( segid PTB and resid 183 and name HB2 ))
2.700 0.900 0.900 peak 1255 weight 0.10000E+01 volume 0.24131E+01 ppm1 8.320 ppm2 4.050
ASSI { 1269}
(( segid PTB and resid 97 and name HE ))
(( segid PTB and resid 97 and name HD1 ))
3.000 1.000 1.000 peak 1269 weight 0.10000E+01 volume 0.12156E+01 ppm1 7.159 ppm2 3.023
OR { 1269}
(( segid PTB and resid 97 and name HE ))
(( segid PTB and resid 97 and name HD2 ))
ASSI { 1270}
(( segid PTB and resid 97 and name HE ))
(( segid PTB and resid 97 and name HB2 ))
3.100 1.100 1.100 peak 1270 weight 0.10000E+01 volume 0.95460E+00 ppm1 7.164 ppm2 1.463
ASSI { 1272}
(( segid PTB and resid 165 and name HE ))
(( segid PTB and resid 165 and name HB2 ))
3.100 1.100 1.100 peak 1272 weight 0.10000E+01 volume 0.10775E+01 ppm1 6.972 ppm2 1.358
OR { 1272}
(( segid PTB and resid 165 and name HE ))
(( segid PTB and resid 165 and name HB1 ))
ASSI { 1285}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 187 and name HN ))
2.800 1.000 1.000 peak 1285 weight 0.10000E+01 volume 0.17918E+01 ppm1 7.735 ppm2 6.524
ASSI { 1287}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 187 and name HB2 ))
2.900 1.000 1.000 peak 1287 weight 0.10000E+01 volume 0.16207E+01 ppm1 7.724 ppm2 0.644
OR { 1287}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 187 and name HB1 ))
ASSI { 1288}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 187 and name HD11)
OR
( segid PTB and resid 187 and name HD13)
OR
( segid PTB and resid 187 and name HD12))
3.000 1.000 1.000 peak 1288 weight 0.10000E+01 volume 0.11868E+01 ppm1 7.730 ppm2 -0.129
ASSI { 1304}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 190 and name HN ))
2.900 1.000 1.000 peak 1304 weight 0.10000E+01 volume 0.13688E+01 ppm1 7.743 ppm2 7.347
ASSI { 1305}
(( segid PTB and resid 188 and name HN ))
(( segid PTB and resid 189 and name HN ))
2.900 1.000 1.000 peak 1305 weight 0.10000E+01 volume 0.14259E+01 ppm1 7.734 ppm2 8.073
ASSI { 1313}
(( segid PTB and resid 170 and name HE ))
(( segid PTB and resid 170 and name HD2 ))
2.800 1.000 1.000 peak 1313 weight 0.10000E+01 volume 0.17758E+01 ppm1 7.159 ppm2 3.137
OR { 1313}
(( segid PTB and resid 170 and name HE ))
(( segid PTB and resid 170 and name HD1 ))
ASSI { 1322}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 90 and name HA ))
2.700 0.900 0.900 peak 1322 weight 0.10000E+01 volume 0.23407E+01 ppm1 7.910 ppm2 5.767
ASSI { 1324}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 89 and name HA1 ))
2.300 0.800 0.800 peak 1324 weight 0.10000E+01 volume 0.64667E+01 ppm1 7.910 ppm2 4.124
ASSI { 1325}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 89 and name HA2 ))
2.400 0.800 0.800 peak 1325 weight 0.10000E+01 volume 0.41512E+01 ppm1 7.910 ppm2 2.850
ASSI { 1326}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.800 1.000 1.000 peak 1326 weight 0.10000E+01 volume 0.17939E+01 ppm1 7.905 ppm2 0.415
ASSI { 1334}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 184 and name HA2 ))
3.000 1.000 1.000 peak 1334 weight 0.10000E+01 volume 0.12215E+01 ppm1 9.435 ppm2 3.526
ASSI { 1336}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 183 and name HA ))
2.500 0.900 0.900 peak 1336 weight 0.10000E+01 volume 0.37229E+01 ppm1 9.430 ppm2 4.598
ASSI { 1337}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 184 and name HA1 ))
2.700 0.900 0.900 peak 1337 weight 0.10000E+01 volume 0.21089E+01 ppm1 9.433 ppm2 4.300
ASSI { 1346}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 95 and name HB2 ))
2.700 0.900 0.900 peak 1346 weight 0.10000E+01 volume 0.24036E+01 ppm1 7.579 ppm2 2.037
ASSI { 1347}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 96 and name HB2 ))
2.700 0.900 0.900 peak 1347 weight 0.10000E+01 volume 0.20714E+01 ppm1 7.583 ppm2 1.457
ASSI { 1349}
(( segid PTB and resid 184 and name HN ))
(( segid PTB and resid 158 and name HA ))
2.700 0.900 0.900 peak 1349 weight 0.10000E+01 volume 0.20461E+01 ppm1 9.435 ppm2 4.724
ASSI { 1352}
(( segid PTB and resid 96 and name HN ))
(( segid PTB and resid 96 and name HA ))
3.000 1.000 1.000 peak 1352 weight 0.10000E+01 volume 0.12987E+01 ppm1 7.584 ppm2 2.997
ASSI { 1372}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 144 and name HB ))
3.100 1.100 1.100 peak 1372 weight 0.10000E+01 volume 0.10878E+01 ppm1 7.547 ppm2 1.636
ASSI { 1374}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 127 and name HA2 ))
2.800 1.000 1.000 peak 1374 weight 0.10000E+01 volume 0.19684E+01 ppm1 7.543 ppm2 4.457
ASSI { 1375}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 127 and name HA1 ))
2.500 0.900 0.900 peak 1375 weight 0.10000E+01 volume 0.34788E+01 ppm1 7.546 ppm2 3.999
ASSI { 1376}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 126 and name HB1 ))
3.100 1.100 1.100 peak 1376 weight 0.10000E+01 volume 0.10238E+01 ppm1 7.541 ppm2 2.476
ASSI { 1377}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
3.200 1.100 1.100 peak 1377 weight 0.10000E+01 volume 0.81470E+00 ppm1 7.542 ppm2 0.864
ASSI { 1380}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 193 and name HN ))
2.800 1.000 1.000 peak 1380 weight 0.10000E+01 volume 0.16679E+01 ppm1 8.340 ppm2 7.488
ASSI { 1381}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 191 and name HB ))
2.800 1.000 1.000 peak 1381 weight 0.10000E+01 volume 0.18734E+01 ppm1 8.338 ppm2 2.138
ASSI { 1382}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 192 and name HA1 ))
2.600 0.900 0.900 peak 1382 weight 0.10000E+01 volume 0.28516E+01 ppm1 8.340 ppm2 1.896
ASSI { 1383}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 192 and name HA2 ))
2.800 1.000 1.000 peak 1383 weight 0.10000E+01 volume 0.17898E+01 ppm1 8.336 ppm2 2.751
ASSI { 1384}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 124 and name HN ))
2.800 1.000 1.000 peak 1384 weight 0.10000E+01 volume 0.16531E+01 ppm1 7.541 ppm2 8.334
ASSI { 1386}
(( segid PTB and resid 80 and name HN ))
(( segid PTB and resid 80 and name HA ))
2.800 1.000 1.000 peak 1386 weight 0.10000E+01 volume 0.16518E+01 ppm1 8.605 ppm2 4.528
ASSI { 1391}
(( segid PTB and resid 80 and name HN ))
(( segid PTB and resid 79 and name HA ))
2.800 1.000 1.000 peak 1391 weight 0.10000E+01 volume 0.17573E+01 ppm1 8.607 ppm2 4.155
ASSI { 1392}
(( segid PTB and resid 80 and name HN ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
2.800 1.000 1.000 peak 1392 weight 0.10000E+01 volume 0.19069E+01 ppm1 8.609 ppm2 1.541
ASSI { 1393}
(( segid PTB and resid 80 and name HN ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
2.900 1.000 1.000 peak 1393 weight 0.10000E+01 volume 0.15237E+01 ppm1 8.608 ppm2 1.072
ASSI { 1397}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 135 and name HB ))
3.000 1.000 1.000 peak 1397 weight 0.10000E+01 volume 0.12133E+01 ppm1 8.383 ppm2 4.387
OR { 1397}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 135 and name HA ))
ASSI { 1399}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 137 and name HA2 ))
2.300 0.800 0.800 peak 1399 weight 0.10000E+01 volume 0.53995E+01 ppm1 8.383 ppm2 3.556
ASSI { 1400}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 132 and name HB1 ))
2.700 0.900 0.900 peak 1400 weight 0.10000E+01 volume 0.24743E+01 ppm1 8.386 ppm2 2.969
ASSI { 1405}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 135 and name HA ))
2.600 0.900 0.900 peak 1405 weight 0.10000E+01 volume 0.27012E+01 ppm1 8.097 ppm2 4.382
OR { 1405}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 135 and name HB ))
ASSI { 1406}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 134 and name HB2 ))
2.500 0.900 0.900 peak 1406 weight 0.10000E+01 volume 0.36822E+01 ppm1 8.097 ppm2 2.240
OR { 1406}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 134 and name HB1 ))
ASSI { 1407}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
2.500 0.900 0.900 peak 1407 weight 0.10000E+01 volume 0.38011E+01 ppm1 8.096 ppm2 1.248
ASSI { 1410}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 158 and name HN ))
2.500 0.900 0.900 peak 1410 weight 0.10000E+01 volume 0.32783E+01 ppm1 8.478 ppm2 9.853
ASSI { 1413}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 159 and name HA2 ))
2.500 0.900 0.900 peak 1413 weight 0.10000E+01 volume 0.38327E+01 ppm1 8.481 ppm2 3.608
OR { 1413}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 159 and name HA1 ))
ASSI { 1418}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 87 and name HE1 )
OR
( segid PTB and resid 87 and name HE2 ))
3.100 1.100 1.100 peak 1418 weight 0.10000E+01 volume 0.10749E+01 ppm1 8.005 ppm2 6.606
ASSI { 1419}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
2.700 0.900 0.900 peak 1419 weight 0.10000E+01 volume 0.24176E+01 ppm1 8.000 ppm2 0.474
ASSI { 1421}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 90 and name HA ))
3.100 1.100 1.100 peak 1421 weight 0.10000E+01 volume 0.10063E+01 ppm1 7.999 ppm2 5.763
ASSI { 1422}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 176 and name HA1 ))
3.000 1.000 1.000 peak 1422 weight 0.10000E+01 volume 0.12782E+01 ppm1 7.995 ppm2 4.913
ASSI { 1423}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 175 and name HA ))
2.300 0.800 0.800 peak 1423 weight 0.10000E+01 volume 0.55189E+01 ppm1 7.999 ppm2 4.640
ASSI { 1424}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 176 and name HA2 ))
2.700 0.900 0.900 peak 1424 weight 0.10000E+01 volume 0.22715E+01 ppm1 7.994 ppm2 3.126
ASSI { 1435}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 125 and name HA2 ))
2.600 0.900 0.900 peak 1435 weight 0.10000E+01 volume 0.29146E+01 ppm1 9.143 ppm2 3.989
ASSI { 1438}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 124 and name HA ))
2.500 0.900 0.900 peak 1438 weight 0.10000E+01 volume 0.32036E+01 ppm1 9.138 ppm2 5.160
ASSI { 1440}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 125 and name HA1 ))
2.500 0.900 0.900 peak 1440 weight 0.10000E+01 volume 0.37631E+01 ppm1 9.136 ppm2 3.605
ASSI { 1441}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
3.100 1.100 1.100 peak 1441 weight 0.10000E+01 volume 0.10875E+01 ppm1 9.124 ppm2 0.999
ASSI { 1465}
(( segid PTB and resid 125 and name HN ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
3.200 1.100 1.100 peak 1465 weight 0.10000E+01 volume 0.82060E+00 ppm1 9.120 ppm2 0.559
ASSI { 1469}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 98 and name HA2 ))
2.900 1.000 1.000 peak 1469 weight 0.10000E+01 volume 0.15240E+01 ppm1 3.161 ppm2 4.295
ASSI { 1470}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 97 and name HA ))
2.400 0.800 0.800 peak 1470 weight 0.10000E+01 volume 0.47897E+01 ppm1 3.153 ppm2 3.569
ASSI { 1472}
(( segid PTB and resid 89 and name HN ))
(( segid PTB and resid 88 and name HN ))
2.700 0.900 0.900 peak 1472 weight 0.10000E+01 volume 0.24162E+01 ppm1 5.124 ppm2 8.346
ASSI { 1475}
(( segid PTB and resid 98 and name HN ))
(( segid PTB and resid 97 and name HB2 ))
3.100 1.100 1.100 peak 1475 weight 0.10000E+01 volume 0.90620E+00 ppm1 3.151 ppm2 1.434
ASSI { 1477}
(( segid PTB and resid 118 and name HN ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
3.400 1.200 1.200 peak 1477 weight 0.10000E+01 volume 0.59060E+00 ppm1 8.988 ppm2 1.153
ASSI { 1480}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 84 and name HA ))
3.300 1.200 1.200 peak 1480 weight 0.10000E+01 volume 0.72330E+00 ppm1 9.078 ppm2 4.952
ASSI { 1481}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
3.300 1.200 1.200 peak 1481 weight 0.10000E+01 volume 0.69910E+00 ppm1 8.548 ppm2 0.283
ASSI { 1483}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 132 and name HB2 ))
3.300 1.200 1.200 peak 1483 weight 0.10000E+01 volume 0.68140E+00 ppm1 8.095 ppm2 2.607
ASSI { 1485}
(( segid PTB and resid 84 and name HN ))
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
3.200 1.100 1.100 peak 1485 weight 0.10000E+01 volume 0.76010E+00 ppm1 9.382 ppm2 6.953
ASSI { 1486}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 178 and name HN ))
3.200 1.100 1.100 peak 1486 weight 0.10000E+01 volume 0.77950E+00 ppm1 9.176 ppm2 8.914
ASSI { 1487}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 86 and name HA ))
3.200 1.100 1.100 peak 1487 weight 0.10000E+01 volume 0.79180E+00 ppm1 9.177 ppm2 5.016
ASSI { 1489}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 87 and name HA ))
3.200 1.100 1.100 peak 1489 weight 0.10000E+01 volume 0.81120E+00 ppm1 9.688 ppm2 4.772
ASSI { 1490}
(( segid PTB and resid 87 and name HN ))
(( segid PTB and resid 86 and name HB1 ))
3.400 1.200 1.200 peak 1490 weight 0.10000E+01 volume 0.58600E+00 ppm1 9.660 ppm2 1.506
ASSI { 1491}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 87 and name HD1 )
OR
( segid PTB and resid 87 and name HD2 ))
3.300 1.200 1.200 peak 1491 weight 0.10000E+01 volume 0.72670E+00 ppm1 8.361 ppm2 6.448
ASSI { 1492}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 88 and name HA ))
3.200 1.100 1.100 peak 1492 weight 0.10000E+01 volume 0.74580E+00 ppm1 8.359 ppm2 3.986
ASSI { 1494}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 89 and name HN ))
3.300 1.200 1.200 peak 1494 weight 0.10000E+01 volume 0.66980E+00 ppm1 7.915 ppm2 5.122
ASSI { 1495}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
3.400 1.200 1.200 peak 1495 weight 0.10000E+01 volume 0.61260E+00 ppm1 8.357 ppm2 1.792
ASSI { 1496}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 99 and name HA ))
3.200 1.100 1.100 peak 1496 weight 0.10000E+01 volume 0.76630E+00 ppm1 7.124 ppm2 4.036
ASSI { 1497}
(( segid PTB and resid 102 and name HN ))
(( segid PTB and resid 101 and name HA ))
3.300 1.200 1.200 peak 1497 weight 0.10000E+01 volume 0.69290E+00 ppm1 7.120 ppm2 3.616
ASSI { 1498}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
3.200 1.100 1.100 peak 1498 weight 0.10000E+01 volume 0.77280E+00 ppm1 6.836 ppm2 0.853
OR { 1498}
(( segid PTB and resid 97 and name HN ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1500}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 101 and name HA ))
3.400 1.200 1.200 peak 1500 weight 0.10000E+01 volume 0.58520E+00 ppm1 8.176 ppm2 3.615
ASSI { 1501}
(( segid PTB and resid 146 and name HN ))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
3.400 1.200 1.200 peak 1501 weight 0.10000E+01 volume 0.59220E+00 ppm1 6.655 ppm2 0.899
ASSI { 1502}
(( segid PTB and resid 194 and name HN ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
3.500 1.200 1.200 peak 1502 weight 0.10000E+01 volume 0.50270E+00 ppm1 7.538 ppm2 1.002
ASSI { 1503}
(( segid PTB and resid 100 and name HN ))
(( segid PTB and resid 100 and name HA ))
2.700 0.900 0.900 peak 1503 weight 0.10000E+01 volume 0.22394E+01 ppm1 8.841 ppm2 4.159
ASSI { 1504}
(( segid PTB and resid 113 and name HN ))
(( segid PTB and resid 112 and name HB1 ))
3.500 1.200 1.200 peak 1504 weight 0.10000E+01 volume 0.50320E+00 ppm1 8.459 ppm2 4.028
ASSI { 1505}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 112 and name HB2 ))
3.200 1.100 1.100 peak 1505 weight 0.10000E+01 volume 0.87000E+00 ppm1 7.907 ppm2 3.953
ASSI { 1506}
(( segid PTB and resid 114 and name HN ))
(( segid PTB and resid 113 and name HB2 ))
3.200 1.100 1.100 peak 1506 weight 0.10000E+01 volume 0.89710E+00 ppm1 7.901 ppm2 2.039
ASSI { 1507}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
3.300 1.200 1.200 peak 1507 weight 0.10000E+01 volume 0.69850E+00 ppm1 8.057 ppm2 0.771
ASSI { 1509}
(( segid PTB and resid 89 and name HN ))
(( segid PTB and resid 89 and name HA2 ))
2.900 1.000 1.000 peak 1509 weight 0.10000E+01 volume 0.13667E+01 ppm1 5.126 ppm2 2.837
ASSI { 1510}
(( segid PTB and resid 89 and name HN ))
(( segid PTB and resid 89 and name HA1 ))
2.700 0.900 0.900 peak 1510 weight 0.10000E+01 volume 0.21378E+01 ppm1 5.114 ppm2 4.132
ASSI { 1511}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 103 and name HB1 ))
3.100 1.100 1.100 peak 1511 weight 0.10000E+01 volume 0.10851E+01 ppm1 8.184 ppm2 1.923
OR { 1511}
(( segid PTB and resid 104 and name HN ))
(( segid PTB and resid 103 and name HB2 ))
ASSI { 1512}
(( segid PTB and resid 135 and name HN ))
(( segid PTB and resid 134 and name HA ))
3.200 1.100 1.100 peak 1512 weight 0.10000E+01 volume 0.77317E+00 ppm1 8.109 ppm2 4.241
ASSI { 1513}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 132 and name HB1 ))
3.300 1.200 1.200 peak 1513 weight 0.10000E+01 volume 0.67068E+00 ppm1 8.074 ppm2 2.974
ASSI { 1515}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 136 and name HB1 ))
3.500 1.200 1.200 peak 1515 weight 0.10000E+01 volume 0.49527E+00 ppm1 8.076 ppm2 1.975
ASSI { 1516}
(( segid PTB and resid 136 and name HN ))
(( segid PTB and resid 136 and name HD2 ))
3.300 1.200 1.200 peak 1516 weight 0.10000E+01 volume 0.67800E+00 ppm1 8.066 ppm2 1.708
ASSI { 1517}
(( segid PTB and resid 137 and name HN ))
(( segid PTB and resid 132 and name HB2 ))
3.300 1.200 1.200 peak 1517 weight 0.10000E+01 volume 0.64656E+00 ppm1 8.386 ppm2 2.613
ASSI { 1518}
(( segid PTB and resid 128 and name HN ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
3.300 1.200 1.200 peak 1518 weight 0.10000E+01 volume 0.71967E+00 ppm1 8.554 ppm2 1.125
ASSI { 1519}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 129 and name HG1 ))
3.200 1.100 1.100 peak 1519 weight 0.10000E+01 volume 0.78672E+00 ppm1 8.811 ppm2 1.614
OR { 1519}
(( segid PTB and resid 142 and name HN ))
(( segid PTB and resid 129 and name HG2 ))
ASSI { 1520}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 144 and name HB ))
3.300 1.200 1.200 peak 1520 weight 0.10000E+01 volume 0.71471E+00 ppm1 8.608 ppm2 1.648
OR { 1520}
(( segid PTB and resid 145 and name HN ))
(( segid PTB and resid 144 and name HG11))
ASSI { 1521}
(( segid PTB and resid 74 and name HN ))
(( segid PTB and resid 71 and name HA ))
3.300 1.200 1.200 peak 1521 weight 0.10000E+01 volume 0.68221E+00 ppm1 7.731 ppm2 4.241
ASSI { 1522}
(( segid PTB and resid 77 and name HN ))
(( segid PTB and resid 74 and name HA ))
3.300 1.200 1.200 peak 1522 weight 0.10000E+01 volume 0.70402E+00 ppm1 8.081 ppm2 4.003
ASSI { 1523}
(( segid PTB and resid 185 and name HN ))
(( segid PTB and resid 184 and name HA2 ))
3.400 1.200 1.200 peak 1523 weight 0.10000E+01 volume 0.59001E+00 ppm1 8.676 ppm2 3.525
ASSI { 1525}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 190 and name HA ))
3.500 1.200 1.200 peak 1525 weight 0.10000E+01 volume 0.49630E+00 ppm1 7.741 ppm2 3.541
ASSI { 1527}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 191 and name HA ))
3.300 1.200 1.200 peak 1527 weight 0.10000E+01 volume 0.68937E+00 ppm1 8.339 ppm2 2.965
ASSI { 1528}
(( segid PTB and resid 192 and name HN ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
3.300 1.200 1.200 peak 1528 weight 0.10000E+01 volume 0.68020E+00 ppm1 8.333 ppm2 0.264
ASSI { 1532}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 172 and name HB1 ))
3.300 1.200 1.200 peak 1532 weight 0.10000E+01 volume 0.72767E+00 ppm1 8.694 ppm2 2.609
ASSI { 1533}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 172 and name HA ))
3.200 1.100 1.100 peak 1533 weight 0.10000E+01 volume 0.77867E+00 ppm1 8.692 ppm2 5.291
ASSI { 1534}
(( segid PTB and resid 175 and name HN ))
(( segid PTB and resid 175 and name HB2 ))
3.300 1.200 1.200 peak 1534 weight 0.10000E+01 volume 0.63172E+00 ppm1 8.710 ppm2 2.623
ASSI { 1536}
(( segid PTB and resid 176 and name HN ))
(( segid PTB and resid 175 and name HB2 ))
3.400 1.200 1.200 peak 1536 weight 0.10000E+01 volume 0.56029E+00 ppm1 8.006 ppm2 2.600
ASSI { 1538}
(( segid PTB and resid 90 and name HN ))
(( segid PTB and resid 91 and name HN ))
3.500 1.200 1.200 peak 1538 weight 0.10000E+01 volume 0.51910E+00 ppm1 7.909 ppm2 8.333
ASSI { 1539}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
3.200 1.100 1.100 peak 1539 weight 0.10000E+01 volume 0.80000E+00 ppm1 8.276 ppm2 0.801
ASSI { 1540}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 86 and name HB2 ))
3.300 1.200 1.200 peak 1540 weight 0.10000E+01 volume 0.72197E+00 ppm1 8.915 ppm2 1.850
ASSI { 1542}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
3.400 1.200 1.200 peak 1542 weight 0.10000E+01 volume 0.59031E+00 ppm1 8.115 ppm2 7.341
ASSI { 1543}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 175 and name HB2 ))
3.400 1.200 1.200 peak 1543 weight 0.10000E+01 volume 0.57591E+00 ppm1 8.124 ppm2 2.648
ASSI { 1544}
(( segid PTB and resid 162 and name HN ))
(( segid PTB and resid 175 and name HB1 ))
3.500 1.200 1.200 peak 1544 weight 0.10000E+01 volume 0.50974E+00 ppm1 8.133 ppm2 1.804
ASSI { 1546}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 177 and name HB2 ))
3.300 1.200 1.200 peak 1546 weight 0.10000E+01 volume 0.74364E+00 ppm1 9.160 ppm2 2.880
ASSI { 1548}
(( segid PTB and resid 156 and name HN ))
(( segid PTB and resid 156 and name HB2 ))
3.200 1.100 1.100 peak 1548 weight 0.10000E+01 volume 0.79148E+00 ppm1 7.696 ppm2 3.364
ASSI { 1550}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
3.500 1.200 1.200 peak 1550 weight 0.10000E+01 volume 0.48395E+00 ppm1 9.137 ppm2 1.358
ASSI { 1551}
(( segid PTB and resid 140 and name HN ))
(( segid PTB and resid 138 and name HA ))
3.200 1.100 1.100 peak 1551 weight 0.10000E+01 volume 0.79399E+00 ppm1 7.264 ppm2 4.550
ASSI { 1552}
(( segid PTB and resid 112 and name HN ))
(( segid PTB and resid 109 and name HA ))
3.300 1.200 1.200 peak 1552 weight 0.10000E+01 volume 0.67286E+00 ppm1 7.311 ppm2 3.830
ASSI { 1553}
(( segid PTB and resid 80 and name HN ))
(( segid PTB and resid 80 and name HB ))
3.400 1.200 1.200 peak 1553 weight 0.10000E+01 volume 0.58999E+00 ppm1 8.618 ppm2 4.347
ASSI { 1556}
(( segid PTB and resid 160 and name HN ))
(( segid PTB and resid 160 and name HB1 ))
3.400 1.200 1.200 peak 1556 weight 0.10000E+01 volume 0.59313E+00 ppm1 8.818 ppm2 3.452
ASSI { 1557}
(( segid PTB and resid 127 and name HN ))
(( segid PTB and resid 128 and name HN ))
3.500 1.200 1.200 peak 1557 weight 0.10000E+01 volume 0.51447E+00 ppm1 7.547 ppm2 8.559
ASSI { 1558}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 171 and name HG1 ))
3.300 1.200 1.200 peak 1558 weight 0.10000E+01 volume 0.67526E+00 ppm1 8.668 ppm2 1.452
ASSI { 1559}
(( segid PTB and resid 172 and name HN ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
3.400 1.200 1.200 peak 1559 weight 0.10000E+01 volume 0.59995E+00 ppm1 8.696 ppm2 0.642
ASSI { 1565}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 147 and name HB ))
3.400 1.200 1.200 peak 1565 weight 0.10000E+01 volume 0.56710E+00 ppm1 8.067 ppm2 2.450
ASSI { 1566}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 149 and name HB1 ))
3.200 1.100 1.100 peak 1566 weight 0.10000E+01 volume 0.74926E+00 ppm1 8.082 ppm2 2.567
OR { 1566}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 149 and name HB2 ))
ASSI { 1567}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 163 and name HG12))
3.300 1.200 1.200 peak 1567 weight 0.10000E+01 volume 0.62578E+00 ppm1 8.086 ppm2 1.684
OR { 1567}
(( segid PTB and resid 149 and name HN ))
(( segid PTB and resid 163 and name HB ))
ASSI { 1570}
(( segid PTB and resid 165 and name HN ))
(( segid PTB and resid 96 and name HB1 ))
3.400 1.200 1.200 peak 1570 weight 0.10000E+01 volume 0.55742E+00 ppm1 8.270 ppm2 2.886
ASSI { 1575}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 154 and name HB2 ))
3.400 1.200 1.200 peak 1575 weight 0.10000E+01 volume 0.60469E+00 ppm1 8.756 ppm2 1.842
OR { 1575}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 154 and name HB1 ))
OR { 1575}
(( segid PTB and resid 155 and name HN ))
(( segid PTB and resid 154 and name HG2 ))
ASSI { 1576}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 160 and name HB1 ))
3.300 1.200 1.200 peak 1576 weight 0.10000E+01 volume 0.63341E+00 ppm1 7.661 ppm2 3.448
ASSI { 1577}
(( segid PTB and resid 158 and name HN ))
(( segid PTB and resid 157 and name HA ))
3.300 1.200 1.200 peak 1577 weight 0.10000E+01 volume 0.70065E+00 ppm1 9.844 ppm2 4.441
ASSI { 1578}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 160 and name HN ))
3.300 1.200 1.200 peak 1578 weight 0.10000E+01 volume 0.64620E+00 ppm1 8.477 ppm2 8.821
ASSI { 1579}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 96 and name HN ))
3.300 1.200 1.200 peak 1579 weight 0.10000E+01 volume 0.65127E+00 ppm1 7.191 ppm2 7.553
ASSI { 1580}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 93 and name HA ))
3.200 1.100 1.100 peak 1580 weight 0.10000E+01 volume 0.81710E+00 ppm1 7.186 ppm2 4.424
ASSI { 1583}
(( segid PTB and resid 101 and name HN ))
(( segid PTB and resid 100 and name HB1 ))
3.100 1.100 1.100 peak 1583 weight 0.10000E+01 volume 0.90000E+00 ppm1 6.859 ppm2 2.073
ASSI { 1584}
(( segid PTB and resid 103 and name HN ))
(( segid PTB and resid 102 and name HB1 ))
3.500 1.200 1.200 peak 1584 weight 0.10000E+01 volume 0.46103E+00 ppm1 8.448 ppm2 3.186
ASSI { 1589}
(( segid PTB and resid 123 and name HN ))
(( segid PTB and resid 82 and name HA ))
3.200 1.100 1.100 peak 1589 weight 0.10000E+01 volume 0.79864E+00 ppm1 8.318 ppm2 5.424
ASSI { 1590}
(( segid PTB and resid 124 and name HN ))
(( segid PTB and resid 128 and name HA ))
3.400 1.200 1.200 peak 1590 weight 0.10000E+01 volume 0.59090E+00 ppm1 8.315 ppm2 5.307
ASSI { 1592}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 177 and name HA ))
3.200 1.100 1.100 peak 1592 weight 0.10000E+01 volume 0.79569E+00 ppm1 9.155 ppm2 5.418
ASSI { 1596}
(( segid PTB and resid 159 and name HN ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
3.400 1.200 1.200 peak 1596 weight 0.10000E+01 volume 0.53510E+00 ppm1 8.476 ppm2 0.553
ASSI { 1600}
(( segid PTB and resid 168 and name HN ))
(( segid PTB and resid 167 and name HA1 ))
3.400 1.200 1.200 peak 1600 weight 0.10000E+01 volume 0.61759E+00 ppm1 8.229 ppm2 3.839
ASSI { 1603}
(( segid PTB and resid 170 and name HN ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
3.400 1.200 1.200 peak 1603 weight 0.10000E+01 volume 0.59789E+00 ppm1 7.931 ppm2 1.199
ASSI { 1604}
(( segid PTB and resid 171 and name HN ))
(( segid PTB and resid 166 and name HB2 ))
3.300 1.200 1.200 peak 1604 weight 0.10000E+01 volume 0.72594E+00 ppm1 7.347 ppm2 2.462
ASSI { 1606}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 172 and name HB2 ))
3.400 1.200 1.200 peak 1606 weight 0.10000E+01 volume 0.59149E+00 ppm1 9.168 ppm2 2.639
OR { 1606}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 172 and name HB1 ))
ASSI { 1607}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 171 and name HG1 ))
3.200 1.100 1.100 peak 1607 weight 0.10000E+01 volume 0.74740E+00 ppm1 9.181 ppm2 1.409
ASSI { 1609}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 158 and name HB1 ))
3.500 1.200 1.200 peak 1609 weight 0.10000E+01 volume 0.47592E+00 ppm1 9.701 ppm2 1.770
OR { 1609}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 158 and name HB2 ))
OR { 1609}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 158 and name HG2 ))
ASSI { 1610}
(( segid PTB and resid 179 and name HN ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
3.300 1.200 1.200 peak 1610 weight 0.10000E+01 volume 0.63912E+00 ppm1 9.714 ppm2 0.566
ASSI { 1612}
(( segid PTB and resid 182 and name HN ))
(( segid PTB and resid 180 and name HN ))
3.300 1.200 1.200 peak 1612 weight 0.10000E+01 volume 0.66010E+00 ppm1 7.033 ppm2 8.248
ASSI { 1616}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 73 and name HG2 ))
3.100 1.100 1.100 peak 1616 weight 0.10000E+01 volume 0.10200E+01 ppm1 7.948 ppm2 2.193
OR { 1616}
(( segid PTB and resid 73 and name HN ))
(( segid PTB and resid 73 and name HG1 ))
ASSI { 90}
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
(( segid PTB and resid 101 and name HB ))
2.300 0.800 0.800 peak 90 weight 0.10000E+01 volume 0.34726E+01 ppm1 0.860 ppm2 1.980
OR { 90}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 101 and name HB ))
ASSI { 134}
(( segid PTB and resid 114 and name HA ))
(( segid PTB and resid 114 and name HB1 ))
2.300 0.800 0.800 peak 134 weight 0.10000E+01 volume 0.34085E+01 ppm1 4.245 ppm2 1.709
OR { 134}
(( segid PTB and resid 114 and name HA ))
(( segid PTB and resid 114 and name HB2 ))
ASSI { 160}
(( segid PTB and resid 118 and name HA ))
(( segid PTB and resid 118 and name HB1 ))
2.700 0.900 0.900 peak 160 weight 0.10000E+01 volume 0.14736E+01 ppm1 4.984 ppm2 1.835
ASSI { 161}
(( segid PTB and resid 118 and name HA ))
(( segid PTB and resid 118 and name HB2 ))
2.700 0.900 0.900 peak 161 weight 0.10000E+01 volume 0.14926E+01 ppm1 4.967 ppm2 2.049
ASSI { 168}
(( segid PTB and resid 114 and name HD1 ))
(( segid PTB and resid 114 and name HB1 ))
2.600 0.900 0.900 peak 168 weight 0.10000E+01 volume 0.19129E+01 ppm1 3.175 ppm2 1.687
OR { 168}
(( segid PTB and resid 114 and name HD2 ))
(( segid PTB and resid 114 and name HB1 ))
OR { 168}
(( segid PTB and resid 114 and name HD2 ))
(( segid PTB and resid 114 and name HB2 ))
OR { 168}
(( segid PTB and resid 114 and name HD1 ))
(( segid PTB and resid 114 and name HB2 ))
ASSI { 169}
(( segid PTB and resid 118 and name HB2 ))
(( segid PTB and resid 118 and name HB1 ))
2.000 0.700 0.700 peak 169 weight 0.10000E+01 volume 0.84782E+01 ppm1 2.054 ppm2 1.840
ASSI { 253}
(( segid PTB and resid 205 and name HA ))
(( segid PTB and resid 205 and name HB2 ))
2.400 0.800 0.800 peak 253 weight 0.10000E+01 volume 0.26784E+01 ppm1 4.337 ppm2 1.958
OR { 253}
(( segid PTB and resid 205 and name HA ))
(( segid PTB and resid 205 and name HB1 ))
ASSI { 270}
(( segid PTB and resid 118 and name HD2 ))
(( segid PTB and resid 118 and name HB2 ))
2.700 0.900 0.900 peak 270 weight 0.10000E+01 volume 0.14828E+01 ppm1 3.266 ppm2 2.059
OR { 270}
(( segid PTB and resid 118 and name HD1 ))
(( segid PTB and resid 118 and name HB2 ))
ASSI { 305}
(( segid PTB and resid 90 and name HA ))
(( segid PTB and resid 90 and name HB1 ))
2.700 0.900 0.900 peak 305 weight 0.10000E+01 volume 0.14774E+01 ppm1 5.795 ppm2 1.620
OR { 305}
(( segid PTB and resid 90 and name HA ))
(( segid PTB and resid 90 and name HB2 ))
ASSI { 321}
(( segid PTB and resid 201 and name HA ))
(( segid PTB and resid 201 and name HB1 ))
2.600 0.900 0.900 peak 321 weight 0.10000E+01 volume 0.17771E+01 ppm1 4.156 ppm2 2.032
OR { 321}
(( segid PTB and resid 201 and name HA ))
(( segid PTB and resid 201 and name HB2 ))
ASSI { 322}
(( segid PTB and resid 107 and name HA ))
(( segid PTB and resid 110 and name HB2 ))
2.700 0.900 0.900 peak 322 weight 0.10000E+01 volume 0.13497E+01 ppm1 3.899 ppm2 1.916
OR { 322}
(( segid PTB and resid 107 and name HA ))
(( segid PTB and resid 110 and name HB1 ))
ASSI { 340}
(( segid PTB and resid 115 and name HA ))
(( segid PTB and resid 115 and name HB1 ))
2.500 0.900 0.900 peak 340 weight 0.10000E+01 volume 0.25305E+01 ppm1 4.510 ppm2 1.825
OR { 340}
(( segid PTB and resid 115 and name HA ))
(( segid PTB and resid 115 and name HB2 ))
ASSI { 342}
(( segid PTB and resid 203 and name HA ))
(( segid PTB and resid 201 and name HB2 ))
2.300 2.300 2.200 peak 342 weight 0.10000E+01 volume 0.38945E+01 ppm1 4.228 ppm2 2.067
OR { 342}
(( segid PTB and resid 203 and name HA ))
(( segid PTB and resid 201 and name HB1 ))
ASSI { 343}
(( segid PTB and resid 154 and name HD2 ))
(( segid PTB and resid 154 and name HB1 ))
2.300 0.800 0.800 peak 343 weight 0.10000E+01 volume 0.34929E+01 ppm1 3.262 ppm2 1.836
OR { 343}
(( segid PTB and resid 154 and name HD2 ))
(( segid PTB and resid 154 and name HB2 ))
ASSI { 350}
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
(( segid PTB and resid 90 and name HB1 ))
2.500 0.900 0.900 peak 350 weight 0.10000E+01 volume 0.22567E+01 ppm1 1.782 ppm2 1.560
ASSI { 351}
(( segid PTB and resid 77 and name HG2 ))
(( segid PTB and resid 77 and name HB2 ))
2.700 0.900 0.900 peak 351 weight 0.10000E+01 volume 0.13723E+01 ppm1 1.571 ppm2 1.893
OR { 351}
(( segid PTB and resid 77 and name HG1 ))
(( segid PTB and resid 77 and name HB2 ))
ASSI { 352}
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
(( segid PTB and resid 191 and name HB ))
2.700 0.900 0.900 peak 352 weight 0.10000E+01 volume 0.14530E+01 ppm1 0.310 ppm2 2.180
ASSI { 389}
(( segid PTB and resid 134 and name HG1 ))
(( segid PTB and resid 134 and name HB2 ))
1.900 0.700 0.700 peak 389 weight 0.10000E+01 volume 0.12222E+02 ppm1 2.386 ppm2 2.261
OR { 389}
(( segid PTB and resid 134 and name HG2 ))
(( segid PTB and resid 134 and name HB2 ))
OR { 389}
(( segid PTB and resid 134 and name HG2 ))
(( segid PTB and resid 134 and name HB1 ))
OR { 389}
(( segid PTB and resid 134 and name HG1 ))
(( segid PTB and resid 134 and name HB1 ))
ASSI { 404}
(( segid PTB and resid 107 and name HE1 ))
(( segid PTB and resid 107 and name HD1 ))
2.400 0.800 0.800 peak 404 weight 0.10000E+01 volume 0.30074E+01 ppm1 2.938 ppm2 1.681
ASSI { 405}
(( segid PTB and resid 185 and name HG1 ))
(( segid PTB and resid 185 and name HB2 ))
2.100 0.700 0.700 peak 405 weight 0.10000E+01 volume 0.69158E+01 ppm1 2.489 ppm2 2.272
OR { 405}
(( segid PTB and resid 185 and name HG2 ))
(( segid PTB and resid 185 and name HB1 ))
OR { 405}
(( segid PTB and resid 185 and name HG1 ))
(( segid PTB and resid 185 and name HB1 ))
OR { 405}
(( segid PTB and resid 185 and name HG2 ))
(( segid PTB and resid 185 and name HB2 ))
ASSI { 408}
(( segid PTB and resid 107 and name HG2 ))
(( segid PTB and resid 107 and name HD1 ))
2.200 0.800 0.800 peak 408 weight 0.10000E+01 volume 0.45853E+01 ppm1 1.338 ppm2 1.683
OR { 408}
(( segid PTB and resid 107 and name HG1 ))
(( segid PTB and resid 107 and name HD1 ))
ASSI { 438}
(( segid PTB and resid 107 and name HE2 ))
(( segid PTB and resid 107 and name HD1 ))
2.500 0.900 0.900 peak 438 weight 0.10000E+01 volume 0.23725E+01 ppm1 2.874 ppm2 1.712
ASSI { 477}
(( segid PTB and resid 67 and name HA ))
(( segid PTB and resid 67 and name HB2 ))
2.400 0.800 0.800 peak 477 weight 0.10000E+01 volume 0.25399E+01 ppm1 4.397 ppm2 3.058
OR { 477}
(( segid PTB and resid 67 and name HA ))
(( segid PTB and resid 67 and name HB1 ))
ASSI { 485}
(( segid PTB and resid 202 and name HB2 ))
(( segid PTB and resid 202 and name HD1 ))
2.100 0.700 0.700 peak 485 weight 0.10000E+01 volume 0.73784E+01 ppm1 2.011 ppm2 1.744
OR { 485}
(( segid PTB and resid 202 and name HB1 ))
(( segid PTB and resid 202 and name HD1 ))
OR { 485}
(( segid PTB and resid 202 and name HB2 ))
(( segid PTB and resid 202 and name HD2 ))
OR { 485}
(( segid PTB and resid 202 and name HB1 ))
(( segid PTB and resid 202 and name HD2 ))
ASSI { 486}
(( segid PTB and resid 110 and name HB2 ))
(( segid PTB and resid 110 and name HG2 ))
2.400 0.800 0.800 peak 486 weight 0.10000E+01 volume 0.26527E+01 ppm1 1.870 ppm2 1.459
OR { 486}
(( segid PTB and resid 110 and name HB1 ))
(( segid PTB and resid 110 and name HG2 ))
OR { 486}
(( segid PTB and resid 110 and name HB1 ))
(( segid PTB and resid 110 and name HG1 ))
OR { 486}
(( segid PTB and resid 110 and name HB2 ))
(( segid PTB and resid 110 and name HG1 ))
ASSI { 488}
(( segid PTB and resid 202 and name HG1 ))
(( segid PTB and resid 202 and name HD2 ))
1.900 0.700 0.700 peak 488 weight 0.10000E+01 volume 0.10197E+02 ppm1 1.549 ppm2 1.731
OR { 488}
(( segid PTB and resid 202 and name HG2 ))
(( segid PTB and resid 202 and name HD1 ))
OR { 488}
(( segid PTB and resid 202 and name HG2 ))
(( segid PTB and resid 202 and name HD2 ))
OR { 488}
(( segid PTB and resid 202 and name HG1 ))
(( segid PTB and resid 202 and name HD1 ))
ASSI { 490}
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
(( segid PTB and resid 202 and name HD1 ))
2.600 0.900 0.900 peak 490 weight 0.10000E+01 volume 0.18754E+01 ppm1 0.947 ppm2 1.729
OR { 490}
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
(( segid PTB and resid 202 and name HD2 ))
OR { 490}
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
(( segid PTB and resid 202 and name HD1 ))
OR { 490}
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
(( segid PTB and resid 202 and name HD2 ))
ASSI { 523}
(( segid PTB and resid 113 and name HA ))
(( segid PTB and resid 113 and name HB2 ))
2.400 0.800 0.800 peak 523 weight 0.10000E+01 volume 0.25364E+01 ppm1 4.279 ppm2 2.036
ASSI { 528}
(( segid PTB and resid 113 and name HB1 ))
(( segid PTB and resid 113 and name HB2 ))
2.000 0.700 0.700 peak 528 weight 0.10000E+01 volume 0.75455E+01 ppm1 1.838 ppm2 2.034
ASSI { 530}
(( segid PTB and resid 113 and name HG2 ))
(( segid PTB and resid 113 and name HB2 ))
2.300 0.800 0.800 peak 530 weight 0.10000E+01 volume 0.34228E+01 ppm1 1.713 ppm2 2.018
OR { 530}
(( segid PTB and resid 113 and name HG1 ))
(( segid PTB and resid 113 and name HB2 ))
ASSI { 532}
(( segid PTB and resid 65 and name HG2 ))
(( segid PTB and resid 65 and name HD1 ))
1.900 0.700 0.700 peak 532 weight 0.10000E+01 volume 0.10597E+02 ppm1 1.318 ppm2 1.577
OR { 532}
(( segid PTB and resid 65 and name HG2 ))
(( segid PTB and resid 65 and name HD2 ))
ASSI { 533}
(( segid PTB and resid 65 and name HG1 ))
(( segid PTB and resid 65 and name HD2 ))
2.200 0.800 0.800 peak 533 weight 0.10000E+01 volume 0.43484E+01 ppm1 1.227 ppm2 1.564
OR { 533}
(( segid PTB and resid 65 and name HG1 ))
(( segid PTB and resid 65 and name HD1 ))
ASSI { 554}
(( segid PTB and resid 65 and name HE1 ))
(( segid PTB and resid 65 and name HD1 ))
2.300 0.800 0.800 peak 554 weight 0.10000E+01 volume 0.37924E+01 ppm1 2.870 ppm2 1.599
OR { 554}
(( segid PTB and resid 65 and name HE1 ))
(( segid PTB and resid 65 and name HD2 ))
OR { 554}
(( segid PTB and resid 65 and name HE2 ))
(( segid PTB and resid 65 and name HD1 ))
OR { 554}
(( segid PTB and resid 65 and name HE2 ))
(( segid PTB and resid 65 and name HD2 ))
ASSI { 561}
(( segid PTB and resid 113 and name HG2 ))
(( segid PTB and resid 113 and name HB1 ))
2.300 0.800 0.800 peak 561 weight 0.10000E+01 volume 0.35380E+01 ppm1 1.685 ppm2 1.844
OR { 561}
(( segid PTB and resid 113 and name HG1 ))
(( segid PTB and resid 113 and name HB1 ))
ASSI { 562}
(( segid PTB and resid 144 and name HG11))
(( segid PTB and resid 144 and name HG12))
2.200 0.800 0.800 peak 562 weight 0.10000E+01 volume 0.51360E+01 ppm1 1.648 ppm2 1.403
ASSI { 563}
(( segid PTB and resid 171 and name HG2 ))
(( segid PTB and resid 92 and name HB2 ))
1.800 1.800 2.700 peak 563 weight 0.10000E+01 volume 0.14523E+02 ppm1 1.406 ppm2 1.703
OR { 563}
(( segid PTB and resid 171 and name HG1 ))
(( segid PTB and resid 92 and name HB2 ))
OR { 563}
(( segid PTB and resid 171 and name HG2 ))
(( segid PTB and resid 92 and name HB1 ))
OR { 563}
(( segid PTB and resid 171 and name HG1 ))
(( segid PTB and resid 92 and name HB1 ))
ASSI { 566}
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
(( segid PTB and resid 144 and name HG12))
2.700 0.900 0.900 peak 566 weight 0.10000E+01 volume 0.15570E+01 ppm1 1.183 ppm2 1.394
ASSI { 567}
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
(( segid PTB and resid 144 and name HG12))
2.600 0.900 0.900 peak 567 weight 0.10000E+01 volume 0.17039E+01 ppm1 0.900 ppm2 1.375
ASSI { 572}
(( segid PTB and resid 136 and name HA ))
(( segid PTB and resid 136 and name HB1 ))
2.700 0.900 0.900 peak 572 weight 0.10000E+01 volume 0.14022E+01 ppm1 4.130 ppm2 2.004
ASSI { 573}
(( segid PTB and resid 68 and name HA ))
(( segid PTB and resid 68 and name HB2 ))
2.500 0.900 0.900 peak 573 weight 0.10000E+01 volume 0.21128E+01 ppm1 4.082 ppm2 1.895
ASSI { 575}
(( segid PTB and resid 111 and name HG1 ))
(( segid PTB and resid 111 and name HB1 ))
2.100 0.700 0.700 peak 575 weight 0.10000E+01 volume 0.62895E+01 ppm1 2.540 ppm2 2.230
ASSI { 579}
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
(( segid PTB and resid 144 and name HG11))
2.500 0.900 0.900 peak 579 weight 0.10000E+01 volume 0.20956E+01 ppm1 0.876 ppm2 1.650
ASSI { 587}
(( segid PTB and resid 136 and name HE2 ))
(( segid PTB and resid 136 and name HD2 ))
2.400 0.800 0.800 peak 587 weight 0.10000E+01 volume 0.30417E+01 ppm1 2.982 ppm2 1.680
OR { 587}
(( segid PTB and resid 136 and name HE1 ))
(( segid PTB and resid 136 and name HD2 ))
ASSI { 626}
(( segid PTB and resid 203 and name HA ))
(( segid PTB and resid 203 and name HB2 ))
2.400 0.800 0.800 peak 626 weight 0.10000E+01 volume 0.26386E+01 ppm1 4.191 ppm2 2.197
OR { 626}
(( segid PTB and resid 203 and name HA ))
(( segid PTB and resid 203 and name HB1 ))
ASSI { 632}
(( segid PTB and resid 136 and name HG2 ))
(( segid PTB and resid 136 and name HD1 ))
2.200 0.800 0.800 peak 632 weight 0.10000E+01 volume 0.42900E+01 ppm1 1.449 ppm2 1.569
ASSI { 634}
(( segid PTB and resid 136 and name HG1 ))
(( segid PTB and resid 136 and name HD2 ))
2.500 0.900 0.900 peak 634 weight 0.10000E+01 volume 0.22303E+01 ppm1 1.314 ppm2 1.712
ASSI { 649}
(( segid PTB and resid 118 and name HA ))
(( segid PTB and resid 118 and name HG2 ))
2.500 0.900 0.900 peak 649 weight 0.10000E+01 volume 0.20918E+01 ppm1 4.987 ppm2 1.708
OR { 649}
(( segid PTB and resid 118 and name HA ))
(( segid PTB and resid 118 and name HG1 ))
ASSI { 654}
(( segid PTB and resid 180 and name HA ))
(( segid PTB and resid 180 and name HB2 ))
2.700 0.900 0.900 peak 654 weight 0.10000E+01 volume 0.15344E+01 ppm1 4.273 ppm2 3.197
ASSI { 660}
(( segid PTB and resid 118 and name HD1 ))
(( segid PTB and resid 118 and name HG2 ))
2.100 0.700 0.700 peak 660 weight 0.10000E+01 volume 0.62042E+01 ppm1 3.291 ppm2 1.709
OR { 660}
(( segid PTB and resid 118 and name HD1 ))
(( segid PTB and resid 118 and name HG1 ))
OR { 660}
(( segid PTB and resid 118 and name HD2 ))
(( segid PTB and resid 118 and name HG2 ))
OR { 660}
(( segid PTB and resid 118 and name HD2 ))
(( segid PTB and resid 118 and name HG1 ))
ASSI { 661}
(( segid PTB and resid 69 and name HB2 ))
(( segid PTB and resid 69 and name HB1 ))
2.500 0.900 0.900 peak 661 weight 0.10000E+01 volume 0.24453E+01 ppm1 3.223 ppm2 3.021
ASSI { 663}
(( segid PTB and resid 180 and name HB1 ))
(( segid PTB and resid 180 and name HB2 ))
2.300 0.800 0.800 peak 663 weight 0.10000E+01 volume 0.40011E+01 ppm1 2.653 ppm2 3.210
ASSI { 666}
(( segid PTB and resid 136 and name HG1 ))
(( segid PTB and resid 136 and name HD1 ))
2.100 0.700 0.700 peak 666 weight 0.10000E+01 volume 0.62603E+01 ppm1 1.328 ppm2 1.575
ASSI { 703}
(( segid PTB and resid 100 and name HA ))
(( segid PTB and resid 100 and name HB1 ))
2.300 0.800 0.800 peak 703 weight 0.10000E+01 volume 0.38880E+01 ppm1 4.168 ppm2 2.095
ASSI { 704}
(( segid PTB and resid 201 and name HA ))
(( segid PTB and resid 201 and name HG1 ))
2.600 0.900 0.900 peak 704 weight 0.10000E+01 volume 0.18903E+01 ppm1 4.143 ppm2 1.733
OR { 704}
(( segid PTB and resid 201 and name HA ))
(( segid PTB and resid 201 and name HG2 ))
ASSI { 743}
(( segid PTB and resid 81 and name HB2 ))
(( segid PTB and resid 81 and name HB1 ))
2.600 0.900 0.900 peak 743 weight 0.10000E+01 volume 0.18085E+01 ppm1 2.211 ppm2 3.088
ASSI { 748}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 139 and name HG11))
2.500 0.900 0.900 peak 748 weight 0.10000E+01 volume 0.21602E+01 ppm1 1.786 ppm2 1.346
OR { 748}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 139 and name HG12))
ASSI { 781}
(( segid PTB and resid 205 and name HA ))
(( segid PTB and resid 205 and name HG1 ))
2.700 0.900 0.900 peak 781 weight 0.10000E+01 volume 0.14434E+01 ppm1 4.388 ppm2 1.718
OR { 781}
(( segid PTB and resid 205 and name HA ))
(( segid PTB and resid 205 and name HG2 ))
ASSI { 793}
(( segid PTB and resid 66 and name HB1 ))
(( segid PTB and resid 66 and name HG1 ))
2.300 0.800 0.800 peak 793 weight 0.10000E+01 volume 0.34634E+01 ppm1 2.160 ppm2 1.729
OR { 793}
(( segid PTB and resid 66 and name HB1 ))
(( segid PTB and resid 66 and name HG2 ))
ASSI { 794}
(( segid PTB and resid 76 and name HB ))
(( segid PTB and resid 81 and name HB2 ))
2.600 2.600 1.900 peak 794 weight 0.10000E+01 volume 0.16044E+01 ppm1 2.106 ppm2 2.236
ASSI { 802}
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
(( segid PTB and resid 139 and name HG12))
2.600 0.900 0.900 peak 802 weight 0.10000E+01 volume 0.16662E+01 ppm1 1.068 ppm2 1.365
OR { 802}
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
(( segid PTB and resid 139 and name HG11))
ASSI { 803}
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
(( segid PTB and resid 139 and name HG12))
2.400 0.800 0.800 peak 803 weight 0.10000E+01 volume 0.32355E+01 ppm1 0.991 ppm2 1.356
OR { 803}
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
(( segid PTB and resid 139 and name HG11))
ASSI { 834}
(( segid PTB and resid 65 and name HA ))
(( segid PTB and resid 66 and name HG1 ))
2.600 2.600 1.900 peak 834 weight 0.10000E+01 volume 0.18587E+01 ppm1 4.466 ppm2 1.744
OR { 834}
(( segid PTB and resid 65 and name HA ))
(( segid PTB and resid 66 and name HG2 ))
ASSI { 838}
(( segid PTB and resid 114 and name HA ))
(( segid PTB and resid 114 and name HG2 ))
2.600 0.900 0.900 peak 838 weight 0.10000E+01 volume 0.19817E+01 ppm1 4.221 ppm2 1.581
OR { 838}
(( segid PTB and resid 114 and name HA ))
(( segid PTB and resid 114 and name HG1 ))
ASSI { 846}
(( segid PTB and resid 66 and name HD1 ))
(( segid PTB and resid 66 and name HG1 ))
2.600 0.900 0.900 peak 846 weight 0.10000E+01 volume 0.16746E+01 ppm1 3.650 ppm2 1.754
OR { 846}
(( segid PTB and resid 66 and name HD1 ))
(( segid PTB and resid 66 and name HG2 ))
OR { 846}
(( segid PTB and resid 66 and name HD2 ))
(( segid PTB and resid 66 and name HG1 ))
OR { 846}
(( segid PTB and resid 66 and name HD2 ))
(( segid PTB and resid 66 and name HG2 ))
ASSI { 847}
(( segid PTB and resid 114 and name HD2 ))
(( segid PTB and resid 114 and name HG1 ))
2.000 0.700 0.700 peak 847 weight 0.10000E+01 volume 0.84680E+01 ppm1 3.188 ppm2 1.608
OR { 847}
(( segid PTB and resid 114 and name HD1 ))
(( segid PTB and resid 114 and name HG1 ))
OR { 847}
(( segid PTB and resid 114 and name HD1 ))
(( segid PTB and resid 114 and name HG2 ))
OR { 847}
(( segid PTB and resid 114 and name HD2 ))
(( segid PTB and resid 114 and name HG2 ))
ASSI { 848}
(( segid PTB and resid 102 and name HB1 ))
(( segid PTB and resid 102 and name HB2 ))
2.400 0.800 0.800 peak 848 weight 0.10000E+01 volume 0.28811E+01 ppm1 3.167 ppm2 3.014
ASSI { 858}
(( segid PTB and resid 207 and name HB2 ))
(( segid PTB and resid 207 and name HG1 ))
1.600 0.600 0.600 peak 858 weight 0.10000E+01 volume 0.36028E+02 ppm1 1.868 ppm2 1.647
OR { 858}
(( segid PTB and resid 207 and name HB1 ))
(( segid PTB and resid 207 and name HG2 ))
OR { 858}
(( segid PTB and resid 207 and name HB2 ))
(( segid PTB and resid 207 and name HG2 ))
OR { 858}
(( segid PTB and resid 207 and name HB1 ))
(( segid PTB and resid 207 and name HG1 ))
ASSI { 920}
(( segid PTB and resid 116 and name HB2 ))
(( segid PTB and resid 116 and name HG1 ))
2.400 0.800 0.800 peak 920 weight 0.10000E+01 volume 0.30208E+01 ppm1 1.617 ppm2 1.969
OR { 920}
(( segid PTB and resid 116 and name HB2 ))
(( segid PTB and resid 116 and name HG2 ))
ASSI { 925}
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
(( segid PTB and resid 170 and name HG1 ))
2.200 0.800 0.800 peak 925 weight 0.10000E+01 volume 0.54612E+01 ppm1 1.206 ppm2 1.487
OR { 925}
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
(( segid PTB and resid 170 and name HG2 ))
ASSI { 935}
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
(( segid PTB and resid 114 and name HG1 ))
2.400 0.800 0.800 peak 935 weight 0.10000E+01 volume 0.31688E+01 ppm1 0.761 ppm2 1.572
OR { 935}
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
(( segid PTB and resid 114 and name HG2 ))
ASSI { 936}
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
(( segid PTB and resid 116 and name HG2 ))
2.400 0.800 0.800 peak 936 weight 0.10000E+01 volume 0.25963E+01 ppm1 0.636 ppm2 1.973
ASSI { 969}
(( segid PTB and resid 170 and name HB2 ))
(( segid PTB and resid 170 and name HG2 ))
2.500 0.900 0.900 peak 969 weight 0.10000E+01 volume 0.22645E+01 ppm1 1.897 ppm2 1.496
OR { 969}
(( segid PTB and resid 170 and name HB2 ))
(( segid PTB and resid 170 and name HG1 ))
OR { 969}
(( segid PTB and resid 170 and name HB1 ))
(( segid PTB and resid 170 and name HG2 ))
OR { 969}
(( segid PTB and resid 170 and name HB1 ))
(( segid PTB and resid 170 and name HG1 ))
ASSI { 974}
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
(( segid PTB and resid 114 and name HG1 ))
2.700 2.700 1.800 peak 974 weight 0.10000E+01 volume 0.15401E+01 ppm1 0.491 ppm2 1.603
OR { 974}
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
(( segid PTB and resid 114 and name HG2 ))
ASSI { 1048}
(( segid PTB and resid 86 and name HA ))
(( segid PTB and resid 86 and name HG2 ))
2.700 0.900 0.900 peak 1048 weight 0.10000E+01 volume 0.13766E+01 ppm1 5.026 ppm2 1.216
OR { 1048}
(( segid PTB and resid 86 and name HA ))
(( segid PTB and resid 86 and name HG1 ))
ASSI { 1052}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 193 and name HB2 ))
2.400 0.800 0.800 peak 1052 weight 0.10000E+01 volume 0.32462E+01 ppm1 3.096 ppm2 2.571
ASSI { 1077}
(( segid PTB and resid 110 and name HB2 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
2.700 0.900 0.900 peak 1077 weight 0.10000E+01 volume 0.14216E+01 ppm1 1.915 ppm2 0.593
OR { 1077}
(( segid PTB and resid 110 and name HB1 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
ASSI { 1085}
(( segid PTB and resid 86 and name HB1 ))
(( segid PTB and resid 86 and name HG2 ))
2.200 0.800 0.800 peak 1085 weight 0.10000E+01 volume 0.43507E+01 ppm1 1.507 ppm2 1.221
OR { 1085}
(( segid PTB and resid 86 and name HB1 ))
(( segid PTB and resid 86 and name HG1 ))
ASSI { 1087}
(( segid PTB and resid 110 and name HG2 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
2.200 2.200 2.300 peak 1087 weight 0.10000E+01 volume 0.42911E+01 ppm1 1.395 ppm2 0.590
OR { 1087}
(( segid PTB and resid 110 and name HG1 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
ASSI { 1090}
(( segid PTB and resid 109 and name HB1 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
2.500 0.900 0.900 peak 1090 weight 0.10000E+01 volume 0.22981E+01 ppm1 1.092 ppm2 0.495
OR { 1090}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
ASSI { 1091}
(( segid PTB and resid 109 and name HB1 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
2.400 0.800 0.800 peak 1091 weight 0.10000E+01 volume 0.28628E+01 ppm1 1.071 ppm2 0.585
OR { 1091}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
ASSI { 1094}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
2.300 0.800 0.800 peak 1094 weight 0.10000E+01 volume 0.38469E+01 ppm1 0.871 ppm2 0.567
OR { 1094}
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
ASSI { 1095}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
2.300 0.800 0.800 peak 1095 weight 0.10000E+01 volume 0.35788E+01 ppm1 0.863 ppm2 0.505
ASSI { 1108}
(( segid PTB and resid 129 and name HD2 ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
2.600 0.900 0.900 peak 1108 weight 0.10000E+01 volume 0.18040E+01 ppm1 2.983 ppm2 0.850
OR { 1108}
(( segid PTB and resid 129 and name HD1 ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
ASSI { 1109}
(( segid PTB and resid 85 and name HB ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
2.600 0.900 0.900 peak 1109 weight 0.10000E+01 volume 0.15921E+01 ppm1 2.390 ppm2 0.131
ASSI { 1110}
(( segid PTB and resid 141 and name HB2 ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
2.400 0.800 0.800 peak 1110 weight 0.10000E+01 volume 0.26359E+01 ppm1 2.308 ppm2 0.862
ASSI { 1114}
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
2.200 0.800 0.800 peak 1114 weight 0.10000E+01 volume 0.44288E+01 ppm1 1.621 ppm2 0.132
ASSI { 1117}
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
2.200 0.800 0.800 peak 1117 weight 0.10000E+01 volume 0.50372E+01 ppm1 0.953 ppm2 0.135
OR { 1117}
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
ASSI { 1122}
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
2.100 2.100 2.400 peak 1122 weight 0.10000E+01 volume 0.73523E+01 ppm1 0.267 ppm2 0.139
ASSI { 1124}
(( segid PTB and resid 187 and name HD11)
OR
( segid PTB and resid 187 and name HD13)
OR
( segid PTB and resid 187 and name HD12))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
2.000 0.700 0.700 peak 1124 weight 0.10000E+01 volume 0.77821E+01 ppm1 -0.081 ppm2 0.137
ASSI { 1128}
(( segid PTB and resid 162 and name HD1 )
OR
( segid PTB and resid 162 and name HD2 ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.600 0.900 0.900 peak 1128 weight 0.10000E+01 volume 0.18222E+01 ppm1 6.922 ppm2 0.298
ASSI { 1134}
(( segid PTB and resid 144 and name HB ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.600 2.600 1.900 peak 1134 weight 0.10000E+01 volume 0.17694E+01 ppm1 1.681 ppm2 0.301
ASSI { 1136}
(( segid PTB and resid 128 and name HG ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.400 0.800 0.800 peak 1136 weight 0.10000E+01 volume 0.26844E+01 ppm1 1.536 ppm2 0.295
OR { 1136}
(( segid PTB and resid 128 and name HB2 ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
ASSI { 1140}
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.500 2.500 2.000 peak 1140 weight 0.10000E+01 volume 0.22430E+01 ppm1 1.162 ppm2 0.292
ASSI { 1141}
(( segid PTB and resid 97 and name HB1 ))
(( segid PTB and resid 97 and name HG1 ))
2.500 0.900 0.900 peak 1141 weight 0.10000E+01 volume 0.20316E+01 ppm1 1.105 ppm2 1.357
OR { 1141}
(( segid PTB and resid 97 and name HB1 ))
(( segid PTB and resid 97 and name HG2 ))
ASSI { 1142}
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.300 0.800 0.800 peak 1142 weight 0.10000E+01 volume 0.32963E+01 ppm1 0.928 ppm2 0.299
ASSI { 1144}
(( segid PTB and resid 128 and name HD21)
OR
( segid PTB and resid 128 and name HD23)
OR
( segid PTB and resid 128 and name HD22))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.000 0.700 0.700 peak 1144 weight 0.10000E+01 volume 0.80175E+01 ppm1 0.792 ppm2 0.298
ASSI { 1145}
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.400 0.800 0.800 peak 1145 weight 0.10000E+01 volume 0.27320E+01 ppm1 0.666 ppm2 0.300
ASSI { 1147}
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
(( segid PTB and resid 178 and name HD11)
OR
( segid PTB and resid 178 and name HD13)
OR
( segid PTB and resid 178 and name HD12))
1.900 0.700 0.700 peak 1147 weight 0.10000E+01 volume 0.10491E+02 ppm1 0.592 ppm2 0.827
ASSI { 1153}
(( segid PTB and resid 162 and name HE1 )
OR
( segid PTB and resid 162 and name HE2 ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.700 0.900 0.900 peak 1153 weight 0.10000E+01 volume 0.15234E+01 ppm1 6.650 ppm2 0.308
ASSI { 1161}
(( segid PTB and resid 202 and name HE2 ))
(( segid PTB and resid 202 and name HG2 ))
2.700 0.900 0.900 peak 1161 weight 0.10000E+01 volume 0.15171E+01 ppm1 3.027 ppm2 1.543
OR { 1161}
(( segid PTB and resid 202 and name HE1 ))
(( segid PTB and resid 202 and name HG2 ))
OR { 1161}
(( segid PTB and resid 202 and name HE1 ))
(( segid PTB and resid 202 and name HG1 ))
OR { 1161}
(( segid PTB and resid 202 and name HE2 ))
(( segid PTB and resid 202 and name HG1 ))
ASSI { 1165}
(( segid PTB and resid 107 and name HB2 ))
(( segid PTB and resid 107 and name HG1 ))
2.500 0.900 0.900 peak 1165 weight 0.10000E+01 volume 0.24624E+01 ppm1 1.958 ppm2 1.340
OR { 1165}
(( segid PTB and resid 107 and name HB1 ))
(( segid PTB and resid 107 and name HG1 ))
OR { 1165}
(( segid PTB and resid 107 and name HB2 ))
(( segid PTB and resid 107 and name HG2 ))
ASSI { 1166}
(( segid PTB and resid 121 and name HB1 ))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
2.600 0.900 0.900 peak 1166 weight 0.10000E+01 volume 0.18111E+01 ppm1 1.842 ppm2 0.139
OR { 1166}
(( segid PTB and resid 121 and name HB2 ))
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
ASSI { 1172}
(( segid PTB and resid 187 and name HG ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
2.400 0.800 0.800 peak 1172 weight 0.10000E+01 volume 0.31559E+01 ppm1 1.298 ppm2 0.141
ASSI { 1174}
(( segid PTB and resid 109 and name HB1 ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
2.600 2.600 1.900 peak 1174 weight 0.10000E+01 volume 0.19206E+01 ppm1 1.109 ppm2 0.856
OR { 1174}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
OR { 1174}
(( segid PTB and resid 109 and name HB1 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
OR { 1174}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 1188}
(( segid PTB and resid 165 and name HA ))
(( segid PTB and resid 165 and name HG1 ))
2.500 0.900 0.900 peak 1188 weight 0.10000E+01 volume 0.20513E+01 ppm1 4.276 ppm2 0.948
OR { 1188}
(( segid PTB and resid 165 and name HA ))
(( segid PTB and resid 165 and name HG2 ))
ASSI { 1189}
(( segid PTB and resid 202 and name HA ))
(( segid PTB and resid 202 and name HG1 ))
2.700 0.900 0.900 peak 1189 weight 0.10000E+01 volume 0.13222E+01 ppm1 4.210 ppm2 1.537
OR { 1189}
(( segid PTB and resid 202 and name HA ))
(( segid PTB and resid 202 and name HG2 ))
ASSI { 1218}
(( segid PTB and resid 199 and name HG ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
2.200 0.800 0.800 peak 1218 weight 0.10000E+01 volume 0.51741E+01 ppm1 1.847 ppm2 0.948
ASSI { 1219}
(( segid PTB and resid 136 and name HD2 ))
(( segid PTB and resid 136 and name HG2 ))
1.800 0.600 0.600 peak 1219 weight 0.10000E+01 volume 0.17178E+02 ppm1 1.703 ppm2 1.455
ASSI { 1220}
(( segid PTB and resid 199 and name HB1 ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
2.400 0.800 0.800 peak 1220 weight 0.10000E+01 volume 0.27835E+01 ppm1 1.663 ppm2 0.950
OR { 1220}
(( segid PTB and resid 199 and name HB2 ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
ASSI { 1221}
(( segid GPPY and resid 3 and name HG11))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
2.400 0.800 0.800 peak 1221 weight 0.10000E+01 volume 0.27811E+01 ppm1 1.418 ppm2 0.944
ASSI { 1243}
(( segid PTB and resid 65 and name HE2 ))
(( segid PTB and resid 65 and name HG1 ))
2.600 0.900 0.900 peak 1243 weight 0.10000E+01 volume 0.16717E+01 ppm1 2.870 ppm2 1.213
OR { 1243}
(( segid PTB and resid 65 and name HE1 ))
(( segid PTB and resid 65 and name HG1 ))
ASSI { 1264}
(( segid PTB and resid 138 and name HA ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.200 0.800 0.800 peak 1264 weight 0.10000E+01 volume 0.44590E+01 ppm1 4.558 ppm2 0.866
ASSI { 1268}
(( segid PTB and resid 141 and name HB2 ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.600 0.900 0.900 peak 1268 weight 0.10000E+01 volume 0.17762E+01 ppm1 2.301 ppm2 0.861
ASSI { 1269}
(( segid PTB and resid 181 and name HB1 ))
(( segid PTB and resid 181 and name HG1 ))
2.300 0.800 0.800 peak 1269 weight 0.10000E+01 volume 0.35031E+01 ppm1 1.858 ppm2 1.410
OR { 1269}
(( segid PTB and resid 181 and name HB1 ))
(( segid PTB and resid 181 and name HG2 ))
ASSI { 1287}
(( segid PTB and resid 65 and name HA ))
(( segid PTB and resid 65 and name HG2 ))
2.700 0.900 0.900 peak 1287 weight 0.10000E+01 volume 0.13795E+01 ppm1 4.422 ppm2 1.344
ASSI { 1303}
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
2.600 2.600 1.900 peak 1303 weight 0.10000E+01 volume 0.16953E+01 ppm1 7.075 ppm2 0.309
OR { 1303}
(( segid PTB and resid 195 and name HD1 )
OR
( segid PTB and resid 195 and name HD2 ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
ASSI { 1306}
(( segid PTB and resid 191 and name HA ))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
2.600 0.900 0.900 peak 1306 weight 0.10000E+01 volume 0.18274E+01 ppm1 3.004 ppm2 0.297
ASSI { 1309}
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
2.300 0.800 0.800 peak 1309 weight 0.10000E+01 volume 0.35225E+01 ppm1 0.938 ppm2 1.387
ASSI { 1323}
(( segid PTB and resid 121 and name HN ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
2.700 0.900 0.900 peak 1323 weight 0.10000E+01 volume 0.13492E+01 ppm1 9.098 ppm2 0.762
ASSI { 1326}
(( segid PTB and resid 120 and name HA ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
2.200 0.800 0.800 peak 1326 weight 0.10000E+01 volume 0.51839E+01 ppm1 5.215 ppm2 0.759
ASSI { 1329}
(( segid PTB and resid 84 and name HB1 ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
2.400 0.800 0.800 peak 1329 weight 0.10000E+01 volume 0.30060E+01 ppm1 3.985 ppm2 0.757
OR { 1329}
(( segid PTB and resid 84 and name HB2 ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
ASSI { 1338}
(( segid PTB and resid 120 and name HB1 ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
2.100 0.700 0.700 peak 1338 weight 0.10000E+01 volume 0.71147E+01 ppm1 1.576 ppm2 0.760
OR { 1338}
(( segid PTB and resid 120 and name HB2 ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
ASSI { 1359}
(( segid PTB and resid 93 and name HA ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
2.300 0.800 0.800 peak 1359 weight 0.10000E+01 volume 0.37874E+01 ppm1 4.430 ppm2 0.821
ASSI { 1361}
(( segid PTB and resid 191 and name HA ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
2.400 0.800 0.800 peak 1361 weight 0.10000E+01 volume 0.25555E+01 ppm1 3.008 ppm2 0.707
ASSI { 1365}
(( segid PTB and resid 93 and name HB ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
2.200 0.800 0.800 peak 1365 weight 0.10000E+01 volume 0.43341E+01 ppm1 2.237 ppm2 0.822
ASSI { 1367}
(( segid PTB and resid 191 and name HB ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
2.400 0.800 0.800 peak 1367 weight 0.10000E+01 volume 0.31185E+01 ppm1 2.153 ppm2 0.700
ASSI { 1368}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
2.200 0.800 0.800 peak 1368 weight 0.10000E+01 volume 0.53066E+01 ppm1 1.336 ppm2 0.819
ASSI { 1371}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
2.100 0.700 0.700 peak 1371 weight 0.10000E+01 volume 0.57359E+01 ppm1 0.920 ppm2 0.787
ASSI { 1390}
(( segid PTB and resid 76 and name HA ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.300 0.800 0.800 peak 1390 weight 0.10000E+01 volume 0.40555E+01 ppm1 3.725 ppm2 1.008
ASSI { 1392}
(( segid PTB and resid 174 and name HB2 ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
2.700 0.900 0.900 peak 1392 weight 0.10000E+01 volume 0.14866E+01 ppm1 2.488 ppm2 0.822
ASSI { 1410}
(( segid PTB and resid 204 and name HA ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
2.300 0.800 0.800 peak 1410 weight 0.10000E+01 volume 0.38035E+01 ppm1 4.284 ppm2 0.953
ASSI { 1411}
(( segid PTB and resid 202 and name HA ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
2.100 0.700 0.700 peak 1411 weight 0.10000E+01 volume 0.59089E+01 ppm1 4.124 ppm2 0.951
ASSI { 1414}
(( segid PTB and resid 125 and name HA1 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.100 2.100 2.400 peak 1414 weight 0.10000E+01 volume 0.67173E+01 ppm1 3.643 ppm2 1.026
ASSI { 1415}
(( segid PTB and resid 81 and name HB2 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.100 0.700 0.700 peak 1415 weight 0.10000E+01 volume 0.70910E+01 ppm1 2.170 ppm2 1.021
ASSI { 1417}
(( segid PTB and resid 199 and name HG ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
2.100 0.700 0.700 peak 1417 weight 0.10000E+01 volume 0.67340E+01 ppm1 1.843 ppm2 0.955
ASSI { 1419}
(( segid PTB and resid 199 and name HB2 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
2.300 0.800 0.800 peak 1419 weight 0.10000E+01 volume 0.41389E+01 ppm1 1.655 ppm2 0.952
OR { 1419}
(( segid PTB and resid 199 and name HB1 ))
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
ASSI { 1421}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.400 0.800 0.800 peak 1421 weight 0.10000E+01 volume 0.31291E+01 ppm1 1.264 ppm2 1.021
ASSI { 1442}
(( segid PTB and resid 121 and name HA ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.400 0.800 0.800 peak 1442 weight 0.10000E+01 volume 0.29379E+01 ppm1 5.124 ppm2 0.653
ASSI { 1443}
(( segid PTB and resid 178 and name HA ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
2.300 0.800 0.800 peak 1443 weight 0.10000E+01 volume 0.41800E+01 ppm1 4.969 ppm2 0.587
ASSI { 1445}
(( segid PTB and resid 144 and name HA ))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
2.400 0.800 0.800 peak 1445 weight 0.10000E+01 volume 0.26209E+01 ppm1 3.951 ppm2 0.941
ASSI { 1448}
(( segid PTB and resid 147 and name HB ))
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
2.400 0.800 0.800 peak 1448 weight 0.10000E+01 volume 0.27515E+01 ppm1 2.446 ppm2 0.944
ASSI { 1458}
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.100 0.700 0.700 peak 1458 weight 0.10000E+01 volume 0.66481E+01 ppm1 0.148 ppm2 0.652
ASSI { 1476}
(( segid PTB and resid 109 and name HA ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.100 0.700 0.700 peak 1476 weight 0.10000E+01 volume 0.60565E+01 ppm1 3.862 ppm2 0.426
ASSI { 1479}
(( segid PTB and resid 114 and name HG1 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.200 0.800 0.800 peak 1479 weight 0.10000E+01 volume 0.47070E+01 ppm1 1.606 ppm2 0.426
OR { 1479}
(( segid PTB and resid 114 and name HG2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
ASSI { 1480}
(( segid PTB and resid 178 and name HG ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
2.300 0.800 0.800 peak 1480 weight 0.10000E+01 volume 0.40582E+01 ppm1 1.543 ppm2 0.593
OR { 1480}
(( segid PTB and resid 178 and name HB2 ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
ASSI { 1482}
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
(( segid PTB and resid 135 and name HB ))
2.000 0.700 0.700 peak 1482 weight 0.10000E+01 volume 0.78582E+01 ppm1 1.261 ppm2 4.392
ASSI { 1483}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.500 0.900 0.900 peak 1483 weight 0.10000E+01 volume 0.24087E+01 ppm1 1.094 ppm2 0.426
OR { 1483}
(( segid PTB and resid 109 and name HB1 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
ASSI { 1486}
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.200 0.800 0.800 peak 1486 weight 0.10000E+01 volume 0.54217E+01 ppm1 0.806 ppm2 0.424
ASSI { 1498}
(( segid PTB and resid 169 and name HA ))
(( segid PTB and resid 169 and name HB ))
2.100 2.100 2.400 peak 1498 weight 0.10000E+01 volume 0.63485E+01 ppm1 4.415 ppm2 4.278
ASSI { 1499}
(( segid PTB and resid 123 and name HA ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.600 2.600 1.900 peak 1499 weight 0.10000E+01 volume 0.19013E+01 ppm1 4.334 ppm2 0.614
ASSI { 1502}
(( segid PTB and resid 91 and name HB ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.500 2.500 2.000 peak 1502 weight 0.10000E+01 volume 0.20144E+01 ppm1 1.964 ppm2 0.430
ASSI { 1503}
(( segid PTB and resid 123 and name HB ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
2.300 0.800 0.800 peak 1503 weight 0.10000E+01 volume 0.32896E+01 ppm1 1.827 ppm2 0.611
ASSI { 1506}
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
(( segid PTB and resid 169 and name HB ))
2.100 0.700 0.700 peak 1506 weight 0.10000E+01 volume 0.69939E+01 ppm1 1.200 ppm2 4.277
ASSI { 1520}
(( segid PTB and resid 151 and name HA ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
2.400 0.800 0.800 peak 1520 weight 0.10000E+01 volume 0.27241E+01 ppm1 4.952 ppm2 1.574
ASSI { 1525}
(( segid GPPY and resid 5 and name HD1 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
2.500 0.900 0.900 peak 1525 weight 0.10000E+01 volume 0.22858E+01 ppm1 3.488 ppm2 1.577
ASSI { 1527}
(( segid PTB and resid 191 and name HA ))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
2.500 0.900 0.900 peak 1527 weight 0.10000E+01 volume 0.19992E+01 ppm1 3.004 ppm2 0.617
ASSI { 1528}
(( segid PTB and resid 99 and name HG1 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
2.600 0.900 0.900 peak 1528 weight 0.10000E+01 volume 0.16923E+01 ppm1 2.667 ppm2 1.571
ASSI { 1530}
(( segid PTB and resid 108 and name HB ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.100 0.700 0.700 peak 1530 weight 0.10000E+01 volume 0.73555E+01 ppm1 2.292 ppm2 1.096
ASSI { 1543}
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
1.800 0.600 0.600 peak 1543 weight 0.10000E+01 volume 0.17058E+02 ppm1 0.937 ppm2 1.095
ASSI { 1556}
(( segid PTB and resid 85 and name HA ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.400 0.800 0.800 peak 1556 weight 0.10000E+01 volume 0.27075E+01 ppm1 5.478 ppm2 0.950
ASSI { 1558}
(( segid PTB and resid 179 and name HA ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.500 0.900 0.900 peak 1558 weight 0.10000E+01 volume 0.22271E+01 ppm1 4.615 ppm2 0.944
ASSI { 1559}
(( segid PTB and resid 98 and name HA2 ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
2.700 0.900 0.900 peak 1559 weight 0.10000E+01 volume 0.14216E+01 ppm1 4.331 ppm2 0.861
ASSI { 1560}
(( segid PTB and resid 105 and name HA ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.400 0.800 0.800 peak 1560 weight 0.10000E+01 volume 0.28445E+01 ppm1 4.065 ppm2 1.092
ASSI { 1562}
(( segid PTB and resid 85 and name HB ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.400 0.800 0.800 peak 1562 weight 0.10000E+01 volume 0.30901E+01 ppm1 2.402 ppm2 0.953
ASSI { 1564}
(( segid PTB and resid 101 and name HB ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
2.000 0.700 0.700 peak 1564 weight 0.10000E+01 volume 0.74967E+01 ppm1 1.982 ppm2 0.876
ASSI { 1565}
(( segid PTB and resid 95 and name HB1 ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
2.300 0.800 0.800 peak 1565 weight 0.10000E+01 volume 0.36905E+01 ppm1 1.663 ppm2 0.883
ASSI { 1567}
(( segid PTB and resid 86 and name HG1 ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.700 2.700 1.800 peak 1567 weight 0.10000E+01 volume 0.13544E+01 ppm1 1.237 ppm2 0.903
OR { 1567}
(( segid PTB and resid 86 and name HG2 ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
ASSI { 1572}
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.100 0.700 0.700 peak 1572 weight 0.10000E+01 volume 0.56314E+01 ppm1 0.140 ppm2 0.949
ASSI { 1586}
(( segid PTB and resid 86 and name HN ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.700 0.900 0.900 peak 1586 weight 0.10000E+01 volume 0.13407E+01 ppm1 9.199 ppm2 0.956
ASSI { 1616}
(( segid PTB and resid 130 and name HA ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
2.500 0.900 0.900 peak 1616 weight 0.10000E+01 volume 0.24279E+01 ppm1 5.386 ppm2 0.910
ASSI { 1621}
(( segid PTB and resid 197 and name HA ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
2.100 0.700 0.700 peak 1621 weight 0.10000E+01 volume 0.64383E+01 ppm1 3.642 ppm2 1.030
ASSI { 1624}
(( segid PTB and resid 116 and name HB1 ))
(( segid PTB and resid 88 and name HG ))
2.700 0.900 0.900 peak 1624 weight 0.10000E+01 volume 0.13407E+01 ppm1 2.000 ppm2 1.034
OR { 1624}
(( segid PTB and resid 116 and name HG2 ))
(( segid PTB and resid 88 and name HG ))
ASSI { 1626}
(( segid PTB and resid 140 and name HB ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
2.400 0.800 0.800 peak 1626 weight 0.10000E+01 volume 0.28132E+01 ppm1 1.567 ppm2 0.900
ASSI { 1628}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
1.900 0.700 0.700 peak 1628 weight 0.10000E+01 volume 0.11610E+02 ppm1 0.646 ppm2 0.910
ASSI { 1629}
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
(( segid PTB and resid 88 and name HG ))
2.700 0.900 0.900 peak 1629 weight 0.10000E+01 volume 0.15074E+01 ppm1 0.581 ppm2 1.021
OR { 1629}
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
(( segid PTB and resid 88 and name HG ))
ASSI { 1660}
(( segid PTB and resid 88 and name HA ))
(( segid PTB and resid 88 and name HG ))
2.500 0.900 0.900 peak 1660 weight 0.10000E+01 volume 0.24100E+01 ppm1 3.990 ppm2 1.020
ASSI { 1662}
(( segid PTB and resid 197 and name HB ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
2.200 0.800 0.800 peak 1662 weight 0.10000E+01 volume 0.54703E+01 ppm1 2.168 ppm2 1.026
ASSI { 1664}
(( segid PTB and resid 77 and name HG1 ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
2.600 0.900 0.900 peak 1664 weight 0.10000E+01 volume 0.15982E+01 ppm1 1.488 ppm2 1.027
OR { 1664}
(( segid PTB and resid 77 and name HG2 ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
ASSI { 1699}
(( segid PTB and resid 126 and name HA ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.600 2.600 1.900 peak 1699 weight 0.10000E+01 volume 0.16926E+01 ppm1 4.791 ppm2 1.352
ASSI { 1701}
(( segid PTB and resid 80 and name HA ))
(( segid PTB and resid 80 and name HB ))
2.200 0.800 0.800 peak 1701 weight 0.10000E+01 volume 0.50126E+01 ppm1 4.547 ppm2 4.321
ASSI { 1706}
(( segid PTB and resid 88 and name HA ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.100 0.700 0.700 peak 1706 weight 0.10000E+01 volume 0.60734E+01 ppm1 4.009 ppm2 0.634
ASSI { 1709}
(( segid PTB and resid 145 and name HG1 ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.700 0.900 0.900 peak 1709 weight 0.10000E+01 volume 0.13164E+01 ppm1 2.341 ppm2 1.378
ASSI { 1711}
(( segid PTB and resid 116 and name HB1 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.200 0.800 0.800 peak 1711 weight 0.10000E+01 volume 0.49397E+01 ppm1 1.987 ppm2 0.636
OR { 1711}
(( segid PTB and resid 116 and name HG2 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
ASSI { 1714}
(( segid PTB and resid 88 and name HB2 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.200 0.800 0.800 peak 1714 weight 0.10000E+01 volume 0.52304E+01 ppm1 1.381 ppm2 0.634
OR { 1714}
(( segid PTB and resid 88 and name HB1 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
ASSI { 1716}
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
(( segid PTB and resid 206 and name HB ))
2.100 0.700 0.700 peak 1716 weight 0.10000E+01 volume 0.57146E+01 ppm1 1.255 ppm2 4.277
ASSI { 1720}
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
(( segid PTB and resid 80 and name HB ))
2.000 0.700 0.700 peak 1720 weight 0.10000E+01 volume 0.75352E+01 ppm1 1.086 ppm2 4.339
ASSI { 1721}
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
2.100 0.700 0.700 peak 1721 weight 0.10000E+01 volume 0.64390E+01 ppm1 0.794 ppm2 1.247
ASSI { 1747}
(( segid PTB and resid 80 and name HA ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
2.000 2.000 2.500 peak 1747 weight 0.10000E+01 volume 0.85244E+01 ppm1 4.549 ppm2 1.085
ASSI { 1749}
(( segid PTB and resid 143 and name HB ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.000 0.700 0.700 peak 1749 weight 0.10000E+01 volume 0.85788E+01 ppm1 4.408 ppm2 1.374
ASSI { 1751}
(( segid PTB and resid 75 and name HA ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
2.600 0.900 0.900 peak 1751 weight 0.10000E+01 volume 0.19377E+01 ppm1 4.098 ppm2 1.084
ASSI { 1754}
(( segid PTB and resid 78 and name HB2 ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
2.600 0.900 0.900 peak 1754 weight 0.10000E+01 volume 0.16271E+01 ppm1 3.922 ppm2 1.085
ASSI { 1761}
(( segid PTB and resid 204 and name HB2 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
2.500 0.900 0.900 peak 1761 weight 0.10000E+01 volume 0.23682E+01 ppm1 1.944 ppm2 1.253
OR { 1761}
(( segid PTB and resid 204 and name HB1 ))
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
ASSI { 1763}
(( segid PTB and resid 173 and name HB1 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
2.400 0.800 0.800 peak 1763 weight 0.10000E+01 volume 0.30258E+01 ppm1 1.648 ppm2 1.193
OR { 1763}
(( segid PTB and resid 173 and name HB2 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
ASSI { 1766}
(( segid PTB and resid 146 and name HB2 ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.500 0.900 0.900 peak 1766 weight 0.10000E+01 volume 0.21390E+01 ppm1 1.510 ppm2 1.372
OR { 1766}
(( segid PTB and resid 146 and name HB1 ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
ASSI { 1776}
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
2.300 0.800 0.800 peak 1776 weight 0.10000E+01 volume 0.35122E+01 ppm1 0.869 ppm2 1.168
ASSI { 1790}
(( segid PTB and resid 122 and name HD2 ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.200 0.800 0.800 peak 1790 weight 0.10000E+01 volume 0.43286E+01 ppm1 6.713 ppm2 0.909
ASSI { 1794}
(( segid PTB and resid 138 and name HA ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.600 2.600 1.900 peak 1794 weight 0.10000E+01 volume 0.19560E+01 ppm1 4.566 ppm2 0.913
ASSI { 1795}
(( segid PTB and resid 135 and name HB ))
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
1.700 0.600 0.600 peak 1795 weight 0.10000E+01 volume 0.20668E+02 ppm1 4.392 ppm2 1.254
OR { 1795}
(( segid PTB and resid 135 and name HA ))
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
ASSI { 1797}
(( segid PTB and resid 108 and name HA ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
2.200 0.800 0.800 peak 1797 weight 0.10000E+01 volume 0.43826E+01 ppm1 3.662 ppm2 0.940
ASSI { 1798}
(( segid PTB and resid 134 and name HG1 ))
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
2.600 0.900 0.900 peak 1798 weight 0.10000E+01 volume 0.16995E+01 ppm1 2.417 ppm2 1.275
OR { 1798}
(( segid PTB and resid 134 and name HG2 ))
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
ASSI { 1799}
(( segid PTB and resid 108 and name HB ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
2.000 0.700 0.700 peak 1799 weight 0.10000E+01 volume 0.88452E+01 ppm1 2.293 ppm2 0.942
ASSI { 1800}
(( segid PTB and resid 134 and name HB2 ))
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
2.200 0.800 0.800 peak 1800 weight 0.10000E+01 volume 0.46689E+01 ppm1 2.272 ppm2 1.258
ASSI { 1815}
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
2.500 2.500 2.000 peak 1815 weight 0.10000E+01 volume 0.25123E+01 ppm1 0.474 ppm2 0.926
ASSI { 1843}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.600 2.600 1.900 peak 1843 weight 0.10000E+01 volume 0.16973E+01 ppm1 8.889 ppm2 0.820
ASSI { 1851}
(( segid PTB and resid 140 and name HA ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
2.200 0.800 0.800 peak 1851 weight 0.10000E+01 volume 0.44780E+01 ppm1 4.094 ppm2 0.610
ASSI { 1867}
(( segid PTB and resid 132 and name HB1 ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
2.700 0.900 0.900 peak 1867 weight 0.10000E+01 volume 0.14129E+01 ppm1 2.978 ppm2 1.055
ASSI { 1869}
(( segid PTB and resid 132 and name HB2 ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
2.600 0.900 0.900 peak 1869 weight 0.10000E+01 volume 0.18030E+01 ppm1 2.620 ppm2 1.054
ASSI { 1870}
(( segid PTB and resid 117 and name HB ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
2.100 0.700 0.700 peak 1870 weight 0.10000E+01 volume 0.60178E+01 ppm1 2.179 ppm2 1.056
ASSI { 1873}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
2.400 0.800 0.800 peak 1873 weight 0.10000E+01 volume 0.28318E+01 ppm1 1.751 ppm2 0.603
ASSI { 1876}
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
1.700 0.600 0.600 peak 1876 weight 0.10000E+01 volume 0.20108E+02 ppm1 1.166 ppm2 1.053
ASSI { 1880}
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
2.100 0.700 0.700 peak 1880 weight 0.10000E+01 volume 0.62362E+01 ppm1 0.872 ppm2 1.063
ASSI { 1882}
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
1.800 0.600 0.600 peak 1882 weight 0.10000E+01 volume 0.15845E+02 ppm1 0.611 ppm2 0.827
ASSI { 1899}
(( segid PTB and resid 175 and name HE1 ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.700 0.900 0.900 peak 1899 weight 0.10000E+01 volume 0.13025E+01 ppm1 6.650 ppm2 0.826
ASSI { 1908}
(( segid PTB and resid 101 and name HA ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.300 0.800 0.800 peak 1908 weight 0.10000E+01 volume 0.34831E+01 ppm1 3.628 ppm2 0.835
ASSI { 1912}
(( segid PTB and resid 93 and name HB ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.200 0.800 0.800 peak 1912 weight 0.10000E+01 volume 0.51333E+01 ppm1 2.237 ppm2 0.829
ASSI { 1917}
(( segid PTB and resid 140 and name HB ))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.100 0.700 0.700 peak 1917 weight 0.10000E+01 volume 0.62269E+01 ppm1 1.574 ppm2 0.820
ASSI { 1918}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.300 0.800 0.800 peak 1918 weight 0.10000E+01 volume 0.37384E+01 ppm1 1.285 ppm2 0.822
ASSI { 1919}
(( segid PTB and resid 168 and name HG21)
OR
( segid PTB and resid 168 and name HG23)
OR
( segid PTB and resid 168 and name HG22))
(( segid PTB and resid 168 and name HB ))
1.900 0.700 0.700 peak 1919 weight 0.10000E+01 volume 0.10522E+02 ppm1 1.252 ppm2 4.351
ASSI { 1941}
(( segid PTB and resid 104 and name HG1 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.600 0.900 0.900 peak 1941 weight 0.10000E+01 volume 0.17805E+01 ppm1 2.404 ppm2 0.820
OR { 1941}
(( segid PTB and resid 104 and name HG2 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1950}
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
2.400 0.800 0.800 peak 1950 weight 0.10000E+01 volume 0.31640E+01 ppm1 0.495 ppm2 0.804
ASSI { 1951}
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
2.200 0.800 0.800 peak 1951 weight 0.10000E+01 volume 0.55102E+01 ppm1 0.425 ppm2 0.809
OR { 1951}
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
ASSI { 1981}
(( segid PTB and resid 130 and name HA ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
2.400 0.800 0.800 peak 1981 weight 0.10000E+01 volume 0.29668E+01 ppm1 5.363 ppm2 0.641
ASSI { 1983}
(( segid PTB and resid 131 and name HA ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
2.300 0.800 0.800 peak 1983 weight 0.10000E+01 volume 0.38422E+01 ppm1 4.879 ppm2 0.814
ASSI { 1992}
(( segid PTB and resid 117 and name HB ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
2.200 2.200 2.300 peak 1992 weight 0.10000E+01 volume 0.47712E+01 ppm1 2.133 ppm2 0.590
ASSI { 2019}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.600 0.900 0.900 peak 2019 weight 0.10000E+01 volume 0.18568E+01 ppm1 8.386 ppm2 0.926
ASSI { 2027}
(( segid PTB and resid 105 and name HA ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.700 0.900 0.900 peak 2027 weight 0.10000E+01 volume 0.15539E+01 ppm1 4.060 ppm2 0.923
ASSI { 2030}
(( segid PTB and resid 108 and name HB ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.700 0.900 0.900 peak 2030 weight 0.10000E+01 volume 0.13046E+01 ppm1 2.278 ppm2 0.930
ASSI { 2031}
(( segid PTB and resid 91 and name HB ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.100 0.700 0.700 peak 2031 weight 0.10000E+01 volume 0.73358E+01 ppm1 1.959 ppm2 0.933
ASSI { 2033}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
2.200 2.200 2.300 peak 2033 weight 0.10000E+01 volume 0.42480E+01 ppm1 1.770 ppm2 0.651
ASSI { 2034}
(( segid PTB and resid 130 and name HB ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
2.300 0.800 0.800 peak 2034 weight 0.10000E+01 volume 0.39752E+01 ppm1 1.731 ppm2 0.647
ASSI { 2040}
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.100 0.700 0.700 peak 2040 weight 0.10000E+01 volume 0.57060E+01 ppm1 1.342 ppm2 0.928
ASSI { 2069}
(( segid PTB and resid 162 and name HE1 )
OR
( segid PTB and resid 162 and name HE2 ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.500 2.500 2.000 peak 2069 weight 0.10000E+01 volume 0.24547E+01 ppm1 6.665 ppm2 0.702
ASSI { 2076}
(( segid PTB and resid 123 and name HB ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.300 0.800 0.800 peak 2076 weight 0.10000E+01 volume 0.35932E+01 ppm1 1.842 ppm2 0.707
ASSI { 2082}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.700 0.900 0.900 peak 2082 weight 0.10000E+01 volume 0.13052E+01 ppm1 1.213 ppm2 0.698
ASSI { 2144}
(( segid PTB and resid 161 and name HA ))
(( segid PTB and resid 161 and name HB2 ))
2.700 0.900 0.900 peak 2144 weight 0.10000E+01 volume 0.14169E+01 ppm1 5.380 ppm2 3.582
OR { 2144}
(( segid PTB and resid 161 and name HA ))
(( segid PTB and resid 161 and name HB1 ))
ASSI { 2199}
(( segid PTB and resid 210 and name HA ))
(( segid PTB and resid 210 and name HB1 )
OR
( segid PTB and resid 210 and name HB3 )
OR
( segid PTB and resid 210 and name HB2 ))
2.200 0.800 0.800 peak 2199 weight 0.10000E+01 volume 0.48066E+01 ppm1 4.392 ppm2 1.445
ASSI { 2271}
(( segid PTB and resid 126 and name HA ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.700 0.900 0.900 peak 2271 weight 0.10000E+01 volume 0.13081E+01 ppm1 4.821 ppm2 1.187
ASSI { 2280}
(( segid PTB and resid 179 and name HA ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.100 0.700 0.700 peak 2280 weight 0.10000E+01 volume 0.58765E+01 ppm1 4.616 ppm2 1.619
ASSI { 2281}
(( segid PTB and resid 80 and name HB ))
(( segid PTB and resid 124 and name HB2 ))
2.200 2.200 2.300 peak 2281 weight 0.10000E+01 volume 0.55131E+01 ppm1 4.390 ppm2 4.013
OR { 2281}
(( segid PTB and resid 80 and name HB ))
(( segid PTB and resid 124 and name HB1 ))
ASSI { 2317}
(( segid PTB and resid 144 and name HB ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.100 0.700 0.700 peak 2317 weight 0.10000E+01 volume 0.59582E+01 ppm1 1.654 ppm2 1.191
OR { 2317}
(( segid PTB and resid 144 and name HG11))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
ASSI { 2319}
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
(( segid PTB and resid 124 and name HB2 ))
2.600 0.900 0.900 peak 2319 weight 0.10000E+01 volume 0.17281E+01 ppm1 1.558 ppm2 4.022
OR { 2319}
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
(( segid PTB and resid 124 and name HB1 ))
ASSI { 2322}
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.600 2.600 1.900 peak 2322 weight 0.10000E+01 volume 0.18497E+01 ppm1 1.050 ppm2 1.187
OR { 2322}
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
ASSI { 2325}
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.600 0.900 0.900 peak 2325 weight 0.10000E+01 volume 0.18626E+01 ppm1 0.952 ppm2 1.626
ASSI { 2326}
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.400 0.800 0.800 peak 2326 weight 0.10000E+01 volume 0.27701E+01 ppm1 0.896 ppm2 1.190
ASSI { 2385}
(( segid PTB and resid 158 and name HB2 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.400 0.800 0.800 peak 2385 weight 0.10000E+01 volume 0.27323E+01 ppm1 1.792 ppm2 1.619
OR { 2385}
(( segid PTB and resid 158 and name HB1 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
OR { 2385}
(( segid PTB and resid 158 and name HG2 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
OR { 2385}
(( segid PTB and resid 158 and name HG1 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
ASSI { 2390}
(( segid PTB and resid 187 and name HD11)
OR
( segid PTB and resid 187 and name HD13)
OR
( segid PTB and resid 187 and name HD12))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.300 0.800 0.800 peak 2390 weight 0.10000E+01 volume 0.36740E+01 ppm1 -0.082 ppm2 1.628
ASSI { 2396}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.400 0.800 0.800 peak 2396 weight 0.10000E+01 volume 0.28751E+01 ppm1 8.553 ppm2 1.337
ASSI { 2397}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.400 0.800 0.800 peak 2397 weight 0.10000E+01 volume 0.31035E+01 ppm1 8.293 ppm2 0.698
ASSI { 2398}
(( segid PTB and resid 93 and name HA ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.700 0.900 0.900 peak 2398 weight 0.10000E+01 volume 0.13070E+01 ppm1 4.428 ppm2 0.695
ASSI { 2399}
(( segid PTB and resid 102 and name HA ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.400 0.800 0.800 peak 2399 weight 0.10000E+01 volume 0.28532E+01 ppm1 4.195 ppm2 1.336
ASSI { 2400}
(( segid PTB and resid 105 and name HA ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.100 0.700 0.700 peak 2400 weight 0.10000E+01 volume 0.70961E+01 ppm1 4.053 ppm2 1.335
ASSI { 2403}
(( segid PTB and resid 172 and name HB2 ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.600 0.900 0.900 peak 2403 weight 0.10000E+01 volume 0.17670E+01 ppm1 2.652 ppm2 0.696
OR { 2403}
(( segid PTB and resid 172 and name HB1 ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
ASSI { 2404}
(( segid PTB and resid 174 and name HB2 ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.700 0.900 0.900 peak 2404 weight 0.10000E+01 volume 0.15506E+01 ppm1 2.527 ppm2 0.692
ASSI { 2405}
(( segid PTB and resid 174 and name HB1 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.500 0.900 0.900 peak 2405 weight 0.10000E+01 volume 0.20247E+01 ppm1 2.440 ppm2 1.332
OR { 2405}
(( segid PTB and resid 174 and name HB2 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
ASSI { 2406}
(( segid PTB and resid 104 and name HG2 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.700 0.900 0.900 peak 2406 weight 0.10000E+01 volume 0.15368E+01 ppm1 2.384 ppm2 1.331
OR { 2406}
(( segid PTB and resid 104 and name HG1 ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
ASSI { 2407}
(( segid PTB and resid 93 and name HB ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.300 0.800 0.800 peak 2407 weight 0.10000E+01 volume 0.37224E+01 ppm1 2.232 ppm2 0.694
ASSI { 2411}
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.400 0.800 0.800 peak 2411 weight 0.10000E+01 volume 0.31497E+01 ppm1 1.012 ppm2 0.695
ASSI { 2413}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.500 2.500 2.000 peak 2413 weight 0.10000E+01 volume 0.21893E+01 ppm1 0.928 ppm2 0.697
ASSI { 2446}
(( segid PTB and resid 163 and name HA ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.700 0.900 0.900 peak 2446 weight 0.10000E+01 volume 0.14842E+01 ppm1 5.468 ppm2 0.992
ASSI { 2450}
(( segid PTB and resid 96 and name HA ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.400 0.800 0.800 peak 2450 weight 0.10000E+01 volume 0.25702E+01 ppm1 3.011 ppm2 1.006
ASSI { 2454}
(( segid PTB and resid 76 and name HB ))
(( segid PTB and resid 76 and name HA ))
2.500 0.900 0.900 peak 2454 weight 0.10000E+01 volume 0.22246E+01 ppm1 2.144 ppm2 3.713
ASSI { 2458}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 191 and name HA ))
2.700 0.900 0.900 peak 2458 weight 0.10000E+01 volume 0.14837E+01 ppm1 1.260 ppm2 2.992
ASSI { 2464}
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.000 0.700 0.700 peak 2464 weight 0.10000E+01 volume 0.93904E+01 ppm1 0.624 ppm2 1.001
ASSI { 2482}
(( segid PTB and resid 139 and name HA ))
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
2.300 0.800 0.800 peak 2482 weight 0.10000E+01 volume 0.42105E+01 ppm1 4.286 ppm2 0.990
ASSI { 2487}
(( segid PTB and resid 163 and name HG11))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.100 0.700 0.700 peak 2487 weight 0.10000E+01 volume 0.72573E+01 ppm1 1.767 ppm2 0.994
ASSI { 2509}
(( segid PTB and resid 200 and name HB2 ))
(( segid PTB and resid 197 and name HA ))
2.500 0.900 0.900 peak 2509 weight 0.10000E+01 volume 0.24205E+01 ppm1 2.342 ppm2 3.645
ASSI { 2571}
(( segid PTB and resid 85 and name HB ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.300 0.800 0.800 peak 2571 weight 0.10000E+01 volume 0.35854E+01 ppm1 2.403 ppm2 0.951
ASSI { 2601}
(( segid PTB and resid 82 and name HA ))
(( segid PTB and resid 82 and name HB1 ))
2.400 0.800 0.800 peak 2601 weight 0.10000E+01 volume 0.26946E+01 ppm1 5.442 ppm2 3.025
ASSI { 2602}
(( segid PTB and resid 82 and name HA ))
(( segid PTB and resid 82 and name HB2 ))
2.400 0.800 0.800 peak 2602 weight 0.10000E+01 volume 0.29832E+01 ppm1 5.438 ppm2 3.418
ASSI { 2603}
(( segid PTB and resid 72 and name HA ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
2.200 0.800 0.800 peak 2603 weight 0.10000E+01 volume 0.45764E+01 ppm1 4.489 ppm2 1.367
ASSI { 2604}
(( segid PTB and resid 81 and name HA ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
2.300 0.800 0.800 peak 2604 weight 0.10000E+01 volume 0.41049E+01 ppm1 4.234 ppm2 1.367
ASSI { 2605}
(( segid PTB and resid 196 and name HA ))
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
2.000 0.700 0.700 peak 2605 weight 0.10000E+01 volume 0.80158E+01 ppm1 4.204 ppm2 1.586
ASSI { 2606}
(( segid PTB and resid 75 and name HA ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
2.000 0.700 0.700 peak 2606 weight 0.10000E+01 volume 0.89455E+01 ppm1 4.088 ppm2 1.367
ASSI { 2607}
(( segid PTB and resid 193 and name HA ))
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
2.400 0.800 0.800 peak 2607 weight 0.10000E+01 volume 0.28051E+01 ppm1 4.010 ppm2 1.588
ASSI { 2609}
(( segid PTB and resid 82 and name HB2 ))
(( segid PTB and resid 82 and name HB1 ))
2.000 0.700 0.700 peak 2609 weight 0.10000E+01 volume 0.95240E+01 ppm1 3.415 ppm2 3.028
ASSI { 2617}
(( segid PTB and resid 72 and name HB2 ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
2.600 2.600 1.900 peak 2617 weight 0.10000E+01 volume 0.17938E+01 ppm1 2.704 ppm2 1.477
ASSI { 2620}
(( segid PTB and resid 81 and name HB2 ))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
2.300 0.800 0.800 peak 2620 weight 0.10000E+01 volume 0.33542E+01 ppm1 2.219 ppm2 1.371
ASSI { 2622}
(( segid PTB and resid 121 and name HB1 ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.600 0.900 0.900 peak 2622 weight 0.10000E+01 volume 0.16306E+01 ppm1 1.870 ppm2 0.931
OR { 2622}
(( segid PTB and resid 121 and name HB2 ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
ASSI { 2627}
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
2.500 0.900 0.900 peak 2627 weight 0.10000E+01 volume 0.20924E+01 ppm1 1.037 ppm2 1.586
OR { 2627}
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
ASSI { 2650}
(( segid PTB and resid 125 and name HA2 ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.700 0.900 0.900 peak 2650 weight 0.10000E+01 volume 0.15178E+01 ppm1 4.010 ppm2 1.278
ASSI { 2654}
(( segid PTB and resid 190 and name HA ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
2.200 0.800 0.800 peak 2654 weight 0.10000E+01 volume 0.52183E+01 ppm1 3.564 ppm2 1.474
ASSI { 2658}
(( segid PTB and resid 187 and name HA ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
2.600 0.900 0.900 peak 2658 weight 0.10000E+01 volume 0.17836E+01 ppm1 2.680 ppm2 1.477
ASSI { 2662}
(( segid PTB and resid 104 and name HB2 ))
(( segid PTB and resid 101 and name HA ))
2.600 2.600 1.900 peak 2662 weight 0.10000E+01 volume 0.16156E+01 ppm1 2.124 ppm2 3.624
OR { 2662}
(( segid PTB and resid 104 and name HB1 ))
(( segid PTB and resid 101 and name HA ))
ASSI { 2663}
(( segid PTB and resid 144 and name HG11))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.700 2.700 1.800 peak 2663 weight 0.10000E+01 volume 0.14144E+01 ppm1 1.653 ppm2 1.281
OR { 2663}
(( segid PTB and resid 144 and name HB ))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
ASSI { 2669}
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.200 0.800 0.800 peak 2669 weight 0.10000E+01 volume 0.47098E+01 ppm1 0.888 ppm2 1.279
ASSI { 2671}
(( segid PTB and resid 128 and name HD21)
OR
( segid PTB and resid 128 and name HD23)
OR
( segid PTB and resid 128 and name HD22))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.600 0.900 0.900 peak 2671 weight 0.10000E+01 volume 0.18474E+01 ppm1 0.785 ppm2 1.266
ASSI { 2672}
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
(( segid PTB and resid 82 and name HB2 ))
2.700 0.900 0.900 peak 2672 weight 0.10000E+01 volume 0.13354E+01 ppm1 0.767 ppm2 3.416
ASSI { 2673}
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
2.400 0.800 0.800 peak 2673 weight 0.10000E+01 volume 0.29715E+01 ppm1 0.709 ppm2 1.475
ASSI { 2676}
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
2.000 0.700 0.700 peak 2676 weight 0.10000E+01 volume 0.90800E+01 ppm1 0.604 ppm2 1.275
ASSI { 2727}
(( segid PTB and resid 153 and name HB1 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.700 2.700 1.800 peak 2727 weight 0.10000E+01 volume 0.15708E+01 ppm1 3.369 ppm2 2.225
OR { 2727}
(( segid PTB and resid 153 and name HB2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
ASSI { 2729}
(( segid PTB and resid 100 and name HB1 ))
(( segid PTB and resid 101 and name HA ))
2.700 2.700 1.800 peak 2729 weight 0.10000E+01 volume 0.13274E+01 ppm1 2.060 ppm2 3.625
ASSI { 2730}
(( segid PTB and resid 101 and name HB ))
(( segid PTB and resid 101 and name HA ))
2.500 0.900 0.900 peak 2730 weight 0.10000E+01 volume 0.21153E+01 ppm1 1.980 ppm2 3.619
ASSI { 2738}
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
(( segid PTB and resid 101 and name HA ))
2.100 0.700 0.700 peak 2738 weight 0.10000E+01 volume 0.71964E+01 ppm1 0.869 ppm2 3.625
ASSI { 2784}
(( segid PTB and resid 99 and name HG2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.400 0.800 0.800 peak 2784 weight 0.10000E+01 volume 0.26518E+01 ppm1 2.901 ppm2 2.213
ASSI { 2790}
(( segid PTB and resid 99 and name HG1 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.100 0.700 0.700 peak 2790 weight 0.10000E+01 volume 0.59779E+01 ppm1 2.689 ppm2 2.224
ASSI { 2798}
(( segid PTB and resid 100 and name HG2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.400 2.400 2.100 peak 2798 weight 0.10000E+01 volume 0.31459E+01 ppm1 2.456 ppm2 2.225
OR { 2798}
(( segid PTB and resid 100 and name HG1 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
OR { 2798}
(( segid PTB and resid 100 and name HB2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
ASSI { 2803}
(( segid GPPY and resid 5 and name HG2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.600 2.600 1.900 peak 2803 weight 0.10000E+01 volume 0.19195E+01 ppm1 1.771 ppm2 2.225
ASSI { 2828}
(( segid PTB and resid 91 and name HA ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.600 0.900 0.900 peak 2828 weight 0.10000E+01 volume 0.19062E+01 ppm1 4.411 ppm2 1.783
ASSI { 2829}
(( segid PTB and resid 80 and name HB ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
2.500 2.500 2.000 peak 2829 weight 0.10000E+01 volume 0.24475E+01 ppm1 4.388 ppm2 1.555
ASSI { 2830}
(( segid PTB and resid 79 and name HA ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
2.000 0.700 0.700 peak 2830 weight 0.10000E+01 volume 0.88165E+01 ppm1 4.171 ppm2 1.552
ASSI { 2836}
(( segid PTB and resid 174 and name HB2 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.700 2.700 1.800 peak 2836 weight 0.10000E+01 volume 0.13654E+01 ppm1 2.466 ppm2 1.797
OR { 2836}
(( segid PTB and resid 174 and name HB1 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
ASSI { 2837}
(( segid PTB and resid 173 and name HG2 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.400 0.800 0.800 peak 2837 weight 0.10000E+01 volume 0.30511E+01 ppm1 2.166 ppm2 1.800
OR { 2837}
(( segid PTB and resid 173 and name HG1 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
ASSI { 2872}
(( segid PTB and resid 173 and name HA ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.700 0.900 0.900 peak 2872 weight 0.10000E+01 volume 0.14441E+01 ppm1 5.286 ppm2 1.784
ASSI { 2876}
(( segid PTB and resid 183 and name HA ))
(( segid PTB and resid 183 and name HB2 ))
2.300 0.800 0.800 peak 2876 weight 0.10000E+01 volume 0.39568E+01 ppm1 4.607 ppm2 4.064
ASSI { 2877}
(( segid PTB and resid 183 and name HA ))
(( segid PTB and resid 183 and name HB1 ))
2.200 0.800 0.800 peak 2877 weight 0.10000E+01 volume 0.47295E+01 ppm1 4.602 ppm2 4.456
ASSI { 2879}
(( segid PTB and resid 183 and name HB1 ))
(( segid PTB and resid 183 and name HB2 ))
1.900 0.700 0.700 peak 2879 weight 0.10000E+01 volume 0.13268E+02 ppm1 4.457 ppm2 4.060
ASSI { 2887}
(( segid PTB and resid 103 and name HG2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.700 0.900 0.900 peak 2887 weight 0.10000E+01 volume 0.14486E+01 ppm1 2.606 ppm2 2.214
ASSI { 2962}
(( segid PTB and resid 168 and name HG21)
OR
( segid PTB and resid 168 and name HG23)
OR
( segid PTB and resid 168 and name HG22))
(( segid PTB and resid 168 and name HA ))
2.100 0.700 0.700 peak 2962 weight 0.10000E+01 volume 0.68934E+01 ppm1 1.253 ppm2 4.291
ASSI { 2973}
(( segid PTB and resid 112 and name HA ))
(( segid PTB and resid 112 and name HB1 ))
2.000 0.700 0.700 peak 2973 weight 0.10000E+01 volume 0.89782E+01 ppm1 4.322 ppm2 4.040
ASSI { 2979}
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
(( segid PTB and resid 78 and name HB1 ))
2.700 0.900 0.900 peak 2979 weight 0.10000E+01 volume 0.13009E+01 ppm1 1.087 ppm2 3.910
OR { 2979}
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
(( segid PTB and resid 78 and name HB2 ))
ASSI { 2989}
(( segid PTB and resid 109 and name HA ))
(( segid PTB and resid 112 and name HB1 ))
2.400 2.400 2.100 peak 2989 weight 0.10000E+01 volume 0.30783E+01 ppm1 3.820 ppm2 4.068
ASSI { 3040}
(( segid PTB and resid 66 and name HB1 ))
(( segid PTB and resid 66 and name HA ))
2.100 0.700 0.700 peak 3040 weight 0.10000E+01 volume 0.57446E+01 ppm1 2.169 ppm2 4.227
ASSI { 3047}
(( segid PTB and resid 66 and name HB2 ))
(( segid PTB and resid 66 and name HA ))
2.400 0.800 0.800 peak 3047 weight 0.10000E+01 volume 0.28902E+01 ppm1 1.598 ppm2 4.230
ASSI { 3074}
(( segid PTB and resid 161 and name HB1 ))
(( segid PTB and resid 102 and name HA ))
2.700 0.900 0.900 peak 3074 weight 0.10000E+01 volume 0.14525E+01 ppm1 3.579 ppm2 4.207
OR { 3074}
(( segid PTB and resid 161 and name HB2 ))
(( segid PTB and resid 102 and name HA ))
ASSI { 3075}
(( segid PTB and resid 102 and name HB1 ))
(( segid PTB and resid 102 and name HA ))
2.500 0.900 0.900 peak 3075 weight 0.10000E+01 volume 0.22796E+01 ppm1 3.144 ppm2 4.209
ASSI { 3076}
(( segid PTB and resid 66 and name HG2 ))
(( segid PTB and resid 66 and name HA ))
2.700 0.900 0.900 peak 3076 weight 0.10000E+01 volume 0.14826E+01 ppm1 1.817 ppm2 4.212
OR { 3076}
(( segid PTB and resid 66 and name HG1 ))
(( segid PTB and resid 66 and name HA ))
ASSI { 3186}
(( segid PTB and resid 102 and name HB2 ))
(( segid PTB and resid 102 and name HA ))
2.500 0.900 0.900 peak 3186 weight 0.10000E+01 volume 0.24281E+01 ppm1 3.003 ppm2 4.205
ASSI { 3191}
(( segid PTB and resid 96 and name HB2 ))
(( segid PTB and resid 96 and name HB1 ))
2.600 0.900 0.900 peak 3191 weight 0.10000E+01 volume 0.19489E+01 ppm1 1.483 ppm2 2.860
ASSI { 3209}
(( segid PTB and resid 164 and name HA ))
(( segid PTB and resid 147 and name HA ))
2.600 0.900 0.900 peak 3209 weight 0.10000E+01 volume 0.19539E+01 ppm1 5.972 ppm2 4.456
ASSI { 3210}
(( segid PTB and resid 84 and name HA ))
(( segid PTB and resid 84 and name HB1 ))
2.200 0.800 0.800 peak 3210 weight 0.10000E+01 volume 0.45838E+01 ppm1 4.977 ppm2 3.986
OR { 3210}
(( segid PTB and resid 84 and name HA ))
(( segid PTB and resid 84 and name HB2 ))
ASSI { 3217}
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
(( segid PTB and resid 147 and name HA ))
2.400 0.800 0.800 peak 3217 weight 0.10000E+01 volume 0.26086E+01 ppm1 0.928 ppm2 4.464
ASSI { 3227}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 84 and name HB1 ))
2.600 0.900 0.900 peak 3227 weight 0.10000E+01 volume 0.19894E+01 ppm1 9.207 ppm2 4.001
OR { 3227}
(( segid PTB and resid 85 and name HN ))
(( segid PTB and resid 84 and name HB2 ))
ASSI { 3233}
(( segid PTB and resid 180 and name HB1 ))
(( segid PTB and resid 84 and name HB2 ))
2.600 0.900 0.900 peak 3233 weight 0.10000E+01 volume 0.18195E+01 ppm1 2.645 ppm2 3.982
OR { 3233}
(( segid PTB and resid 180 and name HB1 ))
(( segid PTB and resid 84 and name HB1 ))
ASSI { 3234}
(( segid PTB and resid 193 and name HB2 ))
(( segid PTB and resid 193 and name HA ))
2.600 0.900 0.900 peak 3234 weight 0.10000E+01 volume 0.19627E+01 ppm1 2.590 ppm2 4.001
ASSI { 3257}
(( segid PTB and resid 193 and name HB1 ))
(( segid PTB and resid 193 and name HA ))
2.600 0.900 0.900 peak 3257 weight 0.10000E+01 volume 0.16251E+01 ppm1 3.071 ppm2 4.007
ASSI { 3287}
(( segid PTB and resid 88 and name HA ))
(( segid PTB and resid 116 and name HA ))
2.600 0.900 0.900 peak 3287 weight 0.10000E+01 volume 0.17954E+01 ppm1 3.998 ppm2 4.511
ASSI { 3294}
(( segid PTB and resid 116 and name HB1 ))
(( segid PTB and resid 116 and name HA ))
2.100 0.700 0.700 peak 3294 weight 0.10000E+01 volume 0.62891E+01 ppm1 2.003 ppm2 4.521
ASSI { 3298}
(( segid PTB and resid 116 and name HB2 ))
(( segid PTB and resid 116 and name HA ))
2.400 0.800 0.800 peak 3298 weight 0.10000E+01 volume 0.31241E+01 ppm1 1.618 ppm2 4.526
ASSI { 3299}
(( segid PTB and resid 206 and name HG21)
OR
( segid PTB and resid 206 and name HG23)
OR
( segid PTB and resid 206 and name HG22))
(( segid PTB and resid 206 and name HA ))
2.500 0.900 0.900 peak 3299 weight 0.10000E+01 volume 0.20880E+01 ppm1 1.265 ppm2 4.311
ASSI { 3307}
(( segid PTB and resid 198 and name HB1 ))
(( segid PTB and resid 198 and name HA ))
2.300 0.800 0.800 peak 3307 weight 0.10000E+01 volume 0.35466E+01 ppm1 3.238 ppm2 4.119
OR { 3307}
(( segid PTB and resid 198 and name HB2 ))
(( segid PTB and resid 198 and name HA ))
ASSI { 3349}
(( segid PTB and resid 180 and name HB1 ))
(( segid PTB and resid 180 and name HA ))
2.600 0.900 0.900 peak 3349 weight 0.10000E+01 volume 0.18624E+01 ppm1 2.655 ppm2 4.269
ASSI { 3351}
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
(( segid PTB and resid 143 and name HA ))
2.300 0.800 0.800 peak 3351 weight 0.10000E+01 volume 0.32683E+01 ppm1 1.374 ppm2 4.632
ASSI { 3352}
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
(( segid PTB and resid 140 and name HA ))
2.200 0.800 0.800 peak 3352 weight 0.10000E+01 volume 0.48467E+01 ppm1 0.824 ppm2 4.091
ASSI { 3391}
(( segid PTB and resid 97 and name HA ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
2.500 0.900 0.900 peak 3391 weight 0.10000E+01 volume 0.20584E+01 ppm1 3.598 ppm2 0.630
ASSI { 3397}
(( segid PTB and resid 163 and name HG12))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
2.300 0.800 0.800 peak 3397 weight 0.10000E+01 volume 0.39384E+01 ppm1 1.723 ppm2 0.630
OR { 3397}
(( segid PTB and resid 163 and name HG11))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
OR { 3397}
(( segid PTB and resid 163 and name HB ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
ASSI { 3401}
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
2.200 2.200 2.300 peak 3401 weight 0.10000E+01 volume 0.48429E+01 ppm1 0.843 ppm2 0.623
OR { 3401}
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
ASSI { 3402}
(( segid PTB and resid 128 and name HD21)
OR
( segid PTB and resid 128 and name HD23)
OR
( segid PTB and resid 128 and name HD22))
(( segid PTB and resid 123 and name HA ))
2.400 0.800 0.800 peak 3402 weight 0.10000E+01 volume 0.32397E+01 ppm1 0.791 ppm2 4.328
ASSI { 3403}
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
(( segid PTB and resid 123 and name HA ))
2.400 0.800 0.800 peak 3403 weight 0.10000E+01 volume 0.27739E+01 ppm1 0.706 ppm2 4.328
ASSI { 3405}
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
(( segid PTB and resid 123 and name HA ))
2.300 0.800 0.800 peak 3405 weight 0.10000E+01 volume 0.36985E+01 ppm1 0.607 ppm2 4.322
ASSI { 3430}
(( segid PTB and resid 117 and name HB ))
(( segid PTB and resid 117 and name HA ))
2.700 0.900 0.900 peak 3430 weight 0.10000E+01 volume 0.13198E+01 ppm1 2.183 ppm2 4.312
ASSI { 3433}
(( segid PTB and resid 139 and name HG12))
(( segid PTB and resid 139 and name HA ))
2.600 0.900 0.900 peak 3433 weight 0.10000E+01 volume 0.15935E+01 ppm1 1.338 ppm2 4.299
OR { 3433}
(( segid PTB and resid 139 and name HG11))
(( segid PTB and resid 139 and name HA ))
ASSI { 3434}
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
(( segid PTB and resid 117 and name HA ))
2.000 2.000 2.500 peak 3434 weight 0.10000E+01 volume 0.77872E+01 ppm1 1.165 ppm2 4.316
ASSI { 3435}
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
(( segid PTB and resid 117 and name HA ))
2.100 0.700 0.700 peak 3435 weight 0.10000E+01 volume 0.55575E+01 ppm1 1.055 ppm2 4.311
ASSI { 3441}
(( segid PTB and resid 144 and name HB ))
(( segid PTB and resid 144 and name HA ))
2.300 0.800 0.800 peak 3441 weight 0.10000E+01 volume 0.33649E+01 ppm1 1.651 ppm2 3.949
OR { 3441}
(( segid PTB and resid 144 and name HG11))
(( segid PTB and resid 144 and name HA ))
ASSI { 3442}
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
(( segid PTB and resid 169 and name HA ))
2.100 0.700 0.700 peak 3442 weight 0.10000E+01 volume 0.66537E+01 ppm1 1.200 ppm2 4.411
ASSI { 3443}
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
(( segid PTB and resid 144 and name HA ))
2.700 0.900 0.900 peak 3443 weight 0.10000E+01 volume 0.15185E+01 ppm1 1.189 ppm2 3.944
ASSI { 3477}
(( segid PTB and resid 195 and name HD1 )
OR
( segid PTB and resid 195 and name HD2 ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
2.700 0.900 0.900 peak 3477 weight 0.10000E+01 volume 0.13825E+01 ppm1 7.016 ppm2 0.894
OR { 3477}
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
ASSI { 3494}
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
2.500 0.900 0.900 peak 3494 weight 0.10000E+01 volume 0.24047E+01 ppm1 0.306 ppm2 0.889
ASSI { 3522}
(( segid PTB and resid 144 and name HG11))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
2.300 0.800 0.800 peak 3522 weight 0.10000E+01 volume 0.40155E+01 ppm1 1.653 ppm2 0.896
OR { 3522}
(( segid PTB and resid 144 and name HB ))
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
ASSI { 3554}
(( segid PTB and resid 132 and name HB2 ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
2.500 0.900 0.900 peak 3554 weight 0.10000E+01 volume 0.20888E+01 ppm1 2.619 ppm2 0.881
ASSI { 3558}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
2.400 0.800 0.800 peak 3558 weight 0.10000E+01 volume 0.28946E+01 ppm1 1.776 ppm2 0.878
ASSI { 3583}
(( segid PTB and resid 121 and name HA ))
(( segid PTB and resid 130 and name HA ))
2.500 0.900 0.900 peak 3583 weight 0.10000E+01 volume 0.21892E+01 ppm1 5.114 ppm2 5.387
ASSI { 3595}
(( segid PTB and resid 139 and name HG11))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
2.000 0.700 0.700 peak 3595 weight 0.10000E+01 volume 0.82464E+01 ppm1 1.334 ppm2 0.884
OR { 3595}
(( segid PTB and resid 139 and name HG12))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
ASSI { 3640}
(( segid PTB and resid 179 and name HA ))
(( segid PTB and resid 85 and name HA ))
2.600 0.900 0.900 peak 3640 weight 0.10000E+01 volume 0.18487E+01 ppm1 4.613 ppm2 5.485
ASSI { 3643}
(( segid PTB and resid 85 and name HB ))
(( segid PTB and resid 85 and name HA ))
2.600 0.900 0.900 peak 3643 weight 0.10000E+01 volume 0.15963E+01 ppm1 2.421 ppm2 5.465
ASSI { 3656}
(( segid PTB and resid 73 and name HB1 ))
(( segid PTB and resid 73 and name HA ))
2.300 0.800 0.800 peak 3656 weight 0.10000E+01 volume 0.34584E+01 ppm1 2.318 ppm2 3.877
OR { 3656}
(( segid PTB and resid 73 and name HB2 ))
(( segid PTB and resid 73 and name HA ))
ASSI { 3660}
(( segid PTB and resid 73 and name HG2 ))
(( segid PTB and resid 73 and name HA ))
2.500 0.900 0.900 peak 3660 weight 0.10000E+01 volume 0.20461E+01 ppm1 2.205 ppm2 3.878
OR { 3660}
(( segid PTB and resid 73 and name HG1 ))
(( segid PTB and resid 73 and name HA ))
ASSI { 3667}
(( segid PTB and resid 107 and name HB2 ))
(( segid PTB and resid 107 and name HA ))
2.100 0.700 0.700 peak 3667 weight 0.10000E+01 volume 0.71519E+01 ppm1 1.946 ppm2 3.875
OR { 3667}
(( segid PTB and resid 107 and name HB1 ))
(( segid PTB and resid 107 and name HA ))
ASSI { 3669}
(( segid PTB and resid 77 and name HB1 ))
(( segid PTB and resid 77 and name HA ))
2.500 0.900 0.900 peak 3669 weight 0.10000E+01 volume 0.23968E+01 ppm1 1.793 ppm2 3.877
ASSI { 3672}
(( segid PTB and resid 77 and name HG1 ))
(( segid PTB and resid 77 and name HA ))
2.500 0.900 0.900 peak 3672 weight 0.10000E+01 volume 0.23821E+01 ppm1 1.569 ppm2 3.884
OR { 3672}
(( segid PTB and resid 77 and name HG2 ))
(( segid PTB and resid 77 and name HA ))
ASSI { 3673}
(( segid PTB and resid 107 and name HG2 ))
(( segid PTB and resid 107 and name HA ))
2.600 0.900 0.900 peak 3673 weight 0.10000E+01 volume 0.16133E+01 ppm1 1.328 ppm2 3.876
OR { 3673}
(( segid PTB and resid 107 and name HG1 ))
(( segid PTB and resid 107 and name HA ))
ASSI { 3674}
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
(( segid PTB and resid 77 and name HA ))
2.300 0.800 0.800 peak 3674 weight 0.10000E+01 volume 0.39218E+01 ppm1 1.023 ppm2 3.892
ASSI { 3676}
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
(( segid PTB and resid 85 and name HA ))
2.300 0.800 0.800 peak 3676 weight 0.10000E+01 volume 0.35708E+01 ppm1 0.951 ppm2 5.474
OR { 3676}
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
(( segid PTB and resid 85 and name HA ))
ASSI { 3703}
(( segid PTB and resid 99 and name HG1 ))
(( segid PTB and resid 99 and name HA ))
2.700 0.900 0.900 peak 3703 weight 0.10000E+01 volume 0.14069E+01 ppm1 2.673 ppm2 4.048
ASSI { 3707}
(( segid PTB and resid 99 and name HB2 ))
(( segid PTB and resid 99 and name HA ))
2.600 0.900 0.900 peak 3707 weight 0.10000E+01 volume 0.19231E+01 ppm1 2.211 ppm2 4.054
ASSI { 3708}
(( segid PTB and resid 99 and name HB2 ))
(( segid PTB and resid 99 and name HA ))
2.500 0.900 0.900 peak 3708 weight 0.10000E+01 volume 0.20504E+01 ppm1 2.146 ppm2 4.053
OR { 3708}
(( segid PTB and resid 99 and name HB1 ))
(( segid PTB and resid 99 and name HA ))
ASSI { 3741}
(( segid PTB and resid 138 and name HA ))
(( segid PTB and resid 131 and name HA ))
2.300 0.800 0.800 peak 3741 weight 0.10000E+01 volume 0.38614E+01 ppm1 4.564 ppm2 4.876
ASSI { 3755}
(( segid PTB and resid 131 and name HB ))
(( segid PTB and resid 131 and name HA ))
2.600 0.900 0.900 peak 3755 weight 0.10000E+01 volume 0.16791E+01 ppm1 1.931 ppm2 4.866
ASSI { 3791}
(( segid PTB and resid 103 and name HG2 ))
(( segid PTB and resid 103 and name HA ))
2.500 0.900 0.900 peak 3791 weight 0.10000E+01 volume 0.22647E+01 ppm1 2.590 ppm2 3.910
ASSI { 3793}
(( segid PTB and resid 185 and name HG2 ))
(( segid PTB and resid 185 and name HA ))
2.700 0.900 0.900 peak 3793 weight 0.10000E+01 volume 0.14534E+01 ppm1 2.468 ppm2 3.934
OR { 3793}
(( segid PTB and resid 185 and name HG1 ))
(( segid PTB and resid 185 and name HA ))
ASSI { 3795}
(( segid PTB and resid 185 and name HB1 ))
(( segid PTB and resid 185 and name HA ))
2.400 0.800 0.800 peak 3795 weight 0.10000E+01 volume 0.29604E+01 ppm1 2.266 ppm2 3.922
OR { 3795}
(( segid PTB and resid 185 and name HB2 ))
(( segid PTB and resid 185 and name HA ))
ASSI { 3815}
(( segid PTB and resid 189 and name HB2 ))
(( segid PTB and resid 185 and name HA ))
2.700 0.900 0.900 peak 3815 weight 0.10000E+01 volume 0.13123E+01 ppm1 2.661 ppm2 3.895
ASSI { 3840}
(( segid GPPY and resid 2 and name HE1 )
OR
( segid GPPY and resid 2 and name HE2 ))
(( segid PTB and resid 189 and name HA ))
2.400 2.400 2.100 peak 3840 weight 0.10000E+01 volume 0.30668E+01 ppm1 6.645 ppm2 4.076
ASSI { 3844}
(( segid PTB and resid 157 and name HG1 ))
(( segid PTB and resid 157 and name HA ))
2.300 0.800 0.800 peak 3844 weight 0.10000E+01 volume 0.32721E+01 ppm1 2.384 ppm2 4.443
OR { 3844}
(( segid PTB and resid 157 and name HG2 ))
(( segid PTB and resid 157 and name HA ))
ASSI { 3846}
(( segid PTB and resid 157 and name HB1 ))
(( segid PTB and resid 157 and name HA ))
2.300 0.800 0.800 peak 3846 weight 0.10000E+01 volume 0.35585E+01 ppm1 2.175 ppm2 4.445
ASSI { 3852}
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
(( segid PTB and resid 187 and name HA ))
2.600 0.900 0.900 peak 3852 weight 0.10000E+01 volume 0.18787E+01 ppm1 0.285 ppm2 2.710
ASSI { 3871}
(( segid PTB and resid 200 and name HB2 ))
(( segid PTB and resid 200 and name HA ))
2.300 0.800 0.800 peak 3871 weight 0.10000E+01 volume 0.41656E+01 ppm1 2.355 ppm2 4.100
ASSI { 3873}
(( segid PTB and resid 110 and name HG1 ))
(( segid PTB and resid 110 and name HA ))
2.400 0.800 0.800 peak 3873 weight 0.10000E+01 volume 0.26257E+01 ppm1 1.466 ppm2 4.011
OR { 3873}
(( segid PTB and resid 110 and name HG2 ))
(( segid PTB and resid 110 and name HA ))
ASSI { 3897}
(( segid PTB and resid 120 and name HA ))
(( segid PTB and resid 84 and name HA ))
2.600 0.900 0.900 peak 3897 weight 0.10000E+01 volume 0.16380E+01 ppm1 5.222 ppm2 4.964
ASSI { 3916}
(( segid PTB and resid 100 and name HG2 ))
(( segid PTB and resid 100 and name HA ))
2.500 0.900 0.900 peak 3916 weight 0.10000E+01 volume 0.25058E+01 ppm1 2.482 ppm2 4.170
OR { 3916}
(( segid PTB and resid 100 and name HG1 ))
(( segid PTB and resid 100 and name HA ))
ASSI { 3917}
(( segid PTB and resid 104 and name HG2 ))
(( segid PTB and resid 104 and name HA ))
2.300 2.300 2.200 peak 3917 weight 0.10000E+01 volume 0.38365E+01 ppm1 2.436 ppm2 4.062
ASSI { 3918}
(( segid PTB and resid 100 and name HG2 ))
(( segid PTB and resid 100 and name HA ))
2.200 0.800 0.800 peak 3918 weight 0.10000E+01 volume 0.52838E+01 ppm1 2.414 ppm2 4.183
OR { 3918}
(( segid PTB and resid 100 and name HB2 ))
(( segid PTB and resid 100 and name HA ))
OR { 3918}
(( segid PTB and resid 100 and name HG1 ))
(( segid PTB and resid 100 and name HA ))
ASSI { 3922}
(( segid PTB and resid 134 and name HB1 ))
(( segid PTB and resid 134 and name HA ))
2.000 0.700 0.700 peak 3922 weight 0.10000E+01 volume 0.88682E+01 ppm1 2.267 ppm2 4.242
OR { 3922}
(( segid PTB and resid 134 and name HB2 ))
(( segid PTB and resid 134 and name HA ))
ASSI { 3923}
(( segid PTB and resid 70 and name HB1 ))
(( segid PTB and resid 70 and name HA ))
2.100 0.700 0.700 peak 3923 weight 0.10000E+01 volume 0.64808E+01 ppm1 2.204 ppm2 4.175
ASSI { 3926}
(( segid PTB and resid 91 and name HB ))
(( segid PTB and resid 91 and name HA ))
2.300 0.800 0.800 peak 3926 weight 0.10000E+01 volume 0.39756E+01 ppm1 1.961 ppm2 4.407
ASSI { 3928}
(( segid PTB and resid 110 and name HB2 ))
(( segid PTB and resid 110 and name HA ))
2.100 0.700 0.700 peak 3928 weight 0.10000E+01 volume 0.58124E+01 ppm1 1.897 ppm2 4.012
OR { 3928}
(( segid PTB and resid 110 and name HB1 ))
(( segid PTB and resid 110 and name HA ))
ASSI { 3929}
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
(( segid PTB and resid 84 and name HA ))
2.700 0.900 0.900 peak 3929 weight 0.10000E+01 volume 0.13877E+01 ppm1 0.945 ppm2 4.987
ASSI { 3931}
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
(( segid PTB and resid 84 and name HA ))
2.200 0.800 0.800 peak 3931 weight 0.10000E+01 volume 0.42403E+01 ppm1 0.762 ppm2 4.964
ASSI { 3946}
(( segid PTB and resid 93 and name HB ))
(( segid PTB and resid 93 and name HA ))
2.400 0.800 0.800 peak 3946 weight 0.10000E+01 volume 0.28196E+01 ppm1 2.224 ppm2 4.423
ASSI { 3952}
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
(( segid PTB and resid 91 and name HA ))
2.200 0.800 0.800 peak 3952 weight 0.10000E+01 volume 0.52225E+01 ppm1 0.814 ppm2 4.428
ASSI { 4065}
(( segid PTB and resid 202 and name HD1 ))
(( segid PTB and resid 202 and name HA ))
2.300 0.800 0.800 peak 4065 weight 0.10000E+01 volume 0.33625E+01 ppm1 1.759 ppm2 4.137
OR { 4065}
(( segid PTB and resid 202 and name HD2 ))
(( segid PTB and resid 202 and name HA ))
ASSI { 4068}
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
(( segid PTB and resid 78 and name HA ))
2.500 2.500 2.000 peak 4068 weight 0.10000E+01 volume 0.24528E+01 ppm1 0.968 ppm2 4.525
ASSI { 4116}
(( segid PTB and resid 94 and name HD1 )
OR
( segid PTB and resid 94 and name HD2 ))
(( segid PTB and resid 94 and name HA ))
2.400 0.800 0.800 peak 4116 weight 0.10000E+01 volume 0.27158E+01 ppm1 7.337 ppm2 4.898
ASSI { 4117}
(( segid PTB and resid 172 and name HD1 ))
(( segid PTB and resid 94 and name HA ))
2.700 0.900 0.900 peak 4117 weight 0.10000E+01 volume 0.15133E+01 ppm1 6.902 ppm2 4.892
ASSI { 4134}
(( segid PTB and resid 94 and name HB2 ))
(( segid PTB and resid 94 and name HA ))
2.600 0.900 0.900 peak 4134 weight 0.10000E+01 volume 0.19528E+01 ppm1 3.599 ppm2 4.897
ASSI { 4136}
(( segid PTB and resid 106 and name HB1 ))
(( segid PTB and resid 106 and name HA ))
2.500 0.900 0.900 peak 4136 weight 0.10000E+01 volume 0.24077E+01 ppm1 1.790 ppm2 3.824
ASSI { 4137}
(( segid PTB and resid 106 and name HG ))
(( segid PTB and resid 106 and name HA ))
2.600 0.900 0.900 peak 4137 weight 0.10000E+01 volume 0.18107E+01 ppm1 1.516 ppm2 3.811
OR { 4137}
(( segid PTB and resid 106 and name HB2 ))
(( segid PTB and resid 106 and name HA ))
ASSI { 4138}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 106 and name HA ))
2.200 0.800 0.800 peak 4138 weight 0.10000E+01 volume 0.47204E+01 ppm1 0.870 ppm2 3.813
OR { 4138}
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
(( segid PTB and resid 106 and name HA ))
ASSI { 4139}
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
(( segid PTB and resid 106 and name HA ))
2.600 0.900 0.900 peak 4139 weight 0.10000E+01 volume 0.19729E+01 ppm1 0.491 ppm2 3.816
ASSI { 4164}
(( segid PTB and resid 199 and name HB2 ))
(( segid PTB and resid 199 and name HA ))
2.400 0.800 0.800 peak 4164 weight 0.10000E+01 volume 0.29247E+01 ppm1 1.650 ppm2 4.134
OR { 4164}
(( segid PTB and resid 199 and name HB1 ))
(( segid PTB and resid 199 and name HA ))
ASSI { 4167}
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
(( segid PTB and resid 199 and name HA ))
2.100 2.100 2.400 peak 4167 weight 0.10000E+01 volume 0.64954E+01 ppm1 0.950 ppm2 4.123
OR { 4167}
(( segid PTB and resid 199 and name HD21)
OR
( segid PTB and resid 199 and name HD23)
OR
( segid PTB and resid 199 and name HD22))
(( segid PTB and resid 199 and name HA ))
ASSI { 4194}
(( segid PTB and resid 96 and name HB2 ))
(( segid PTB and resid 96 and name HA ))
2.500 0.900 0.900 peak 4194 weight 0.10000E+01 volume 0.23495E+01 ppm1 1.488 ppm2 3.010
ASSI { 4195}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 109 and name HA ))
2.600 0.900 0.900 peak 4195 weight 0.10000E+01 volume 0.16812E+01 ppm1 1.085 ppm2 3.851
OR { 4195}
(( segid PTB and resid 109 and name HB1 ))
(( segid PTB and resid 109 and name HA ))
ASSI { 4215}
(( segid PTB and resid 69 and name HD1 ))
(( segid PTB and resid 69 and name HA ))
2.400 0.800 0.800 peak 4215 weight 0.10000E+01 volume 0.26157E+01 ppm1 6.973 ppm2 4.759
ASSI { 4226}
(( segid PTB and resid 69 and name HB1 ))
(( segid PTB and resid 69 and name HA ))
2.700 0.900 0.900 peak 4226 weight 0.10000E+01 volume 0.15121E+01 ppm1 3.036 ppm2 4.774
ASSI { 4227}
(( segid PTB and resid 96 and name HB1 ))
(( segid PTB and resid 96 and name HA ))
2.500 0.900 0.900 peak 4227 weight 0.10000E+01 volume 0.24518E+01 ppm1 2.855 ppm2 2.994
ASSI { 4231}
(( segid PTB and resid 68 and name HG2 ))
(( segid PTB and resid 68 and name HA ))
2.600 0.900 0.900 peak 4231 weight 0.10000E+01 volume 0.18282E+01 ppm1 2.081 ppm2 4.076
ASSI { 4232}
(( segid PTB and resid 68 and name HG1 ))
(( segid PTB and resid 68 and name HA ))
2.400 0.800 0.800 peak 4232 weight 0.10000E+01 volume 0.26881E+01 ppm1 1.982 ppm2 4.074
ASSI { 4233}
(( segid PTB and resid 68 and name HB1 ))
(( segid PTB and resid 68 and name HA ))
2.300 0.800 0.800 peak 4233 weight 0.10000E+01 volume 0.36435E+01 ppm1 1.845 ppm2 4.067
OR { 4233}
(( segid PTB and resid 68 and name HB2 ))
(( segid PTB and resid 68 and name HA ))
ASSI { 4234}
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
(( segid PTB and resid 68 and name HA ))
2.400 0.800 0.800 peak 4234 weight 0.10000E+01 volume 0.29941E+01 ppm1 1.510 ppm2 4.072
ASSI { 4271}
(( segid PTB and resid 204 and name HB2 ))
(( segid PTB and resid 204 and name HA ))
2.400 0.800 0.800 peak 4271 weight 0.10000E+01 volume 0.32500E+01 ppm1 1.883 ppm2 4.204
OR { 4271}
(( segid PTB and resid 204 and name HB1 ))
(( segid PTB and resid 204 and name HA ))
ASSI { 4302}
(( segid PTB and resid 133 and name HB2 ))
(( segid PTB and resid 133 and name HA ))
2.100 0.700 0.700 peak 4302 weight 0.10000E+01 volume 0.70408E+01 ppm1 2.600 ppm2 4.507
OR { 4302}
(( segid PTB and resid 133 and name HB1 ))
(( segid PTB and resid 133 and name HA ))
ASSI { 4333}
(( segid PTB and resid 136 and name HB2 ))
(( segid PTB and resid 136 and name HA ))
2.600 0.900 0.900 peak 4333 weight 0.10000E+01 volume 0.17714E+01 ppm1 2.225 ppm2 4.112
ASSI { 4337}
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
(( segid PTB and resid 92 and name HA ))
2.600 0.900 0.900 peak 4337 weight 0.10000E+01 volume 0.16156E+01 ppm1 1.794 ppm2 5.057
ASSI { 4339}
(( segid PTB and resid 136 and name HG2 ))
(( segid PTB and resid 136 and name HA ))
2.700 0.900 0.900 peak 4339 weight 0.10000E+01 volume 0.13888E+01 ppm1 1.450 ppm2 4.120
ASSI { 4340}
(( segid PTB and resid 136 and name HG1 ))
(( segid PTB and resid 136 and name HA ))
2.700 0.900 0.900 peak 4340 weight 0.10000E+01 volume 0.13190E+01 ppm1 1.312 ppm2 4.135
ASSI { 4341}
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
(( segid PTB and resid 136 and name HA ))
2.200 0.800 0.800 peak 4341 weight 0.10000E+01 volume 0.48922E+01 ppm1 0.808 ppm2 4.116
ASSI { 4360}
(( segid PTB and resid 195 and name HD1 )
OR
( segid PTB and resid 195 and name HD2 ))
(( segid PTB and resid 195 and name HA ))
2.600 0.900 0.900 peak 4360 weight 0.10000E+01 volume 0.19182E+01 ppm1 7.054 ppm2 4.323
ASSI { 4364}
(( segid PTB and resid 67 and name HB2 ))
(( segid PTB and resid 67 and name HA ))
2.300 0.800 0.800 peak 4364 weight 0.10000E+01 volume 0.38394E+01 ppm1 3.105 ppm2 4.399
ASSI { 4372}
(( segid PTB and resid 136 and name HD2 ))
(( segid PTB and resid 136 and name HA ))
2.600 0.900 0.900 peak 4372 weight 0.10000E+01 volume 0.18759E+01 ppm1 1.724 ppm2 4.120
ASSI { 4373}
(( segid PTB and resid 136 and name HD1 ))
(( segid PTB and resid 136 and name HA ))
2.700 0.900 0.900 peak 4373 weight 0.10000E+01 volume 0.14775E+01 ppm1 1.592 ppm2 4.076
ASSI { 4401}
(( segid PTB and resid 124 and name HB2 ))
(( segid PTB and resid 124 and name HA ))
2.400 0.800 0.800 peak 4401 weight 0.10000E+01 volume 0.25982E+01 ppm1 3.986 ppm2 5.189
OR { 4401}
(( segid PTB and resid 124 and name HB1 ))
(( segid PTB and resid 124 and name HA ))
ASSI { 4406}
(( segid PTB and resid 170 and name HD2 ))
(( segid PTB and resid 170 and name HA ))
2.700 2.700 1.800 peak 4406 weight 0.10000E+01 volume 0.13064E+01 ppm1 3.153 ppm2 3.719
OR { 4406}
(( segid PTB and resid 170 and name HD1 ))
(( segid PTB and resid 170 and name HA ))
ASSI { 4411}
(( segid PTB and resid 158 and name HB2 ))
(( segid PTB and resid 183 and name HA ))
2.700 0.900 0.900 peak 4411 weight 0.10000E+01 volume 0.14664E+01 ppm1 1.795 ppm2 4.600
OR { 4411}
(( segid PTB and resid 158 and name HG2 ))
(( segid PTB and resid 183 and name HA ))
OR { 4411}
(( segid PTB and resid 158 and name HG1 ))
(( segid PTB and resid 183 and name HA ))
OR { 4411}
(( segid PTB and resid 158 and name HB1 ))
(( segid PTB and resid 183 and name HA ))
ASSI { 4412}
(( segid PTB and resid 170 and name HG2 ))
(( segid PTB and resid 170 and name HA ))
2.400 0.800 0.800 peak 4412 weight 0.10000E+01 volume 0.25404E+01 ppm1 1.470 ppm2 3.708
OR { 4412}
(( segid PTB and resid 170 and name HG1 ))
(( segid PTB and resid 170 and name HA ))
ASSI { 4505}
(( segid PTB and resid 177 and name HA ))
(( segid PTB and resid 87 and name HA ))
2.600 0.900 0.900 peak 4505 weight 0.10000E+01 volume 0.18379E+01 ppm1 5.399 ppm2 4.775
ASSI { 4516}
(( segid PTB and resid 122 and name HA ))
(( segid PTB and resid 82 and name HA ))
2.300 0.800 0.800 peak 4516 weight 0.10000E+01 volume 0.37308E+01 ppm1 4.982 ppm2 5.443
ASSI { 4537}
(( segid PTB and resid 79 and name HA ))
(( segid PTB and resid 124 and name HA ))
2.700 0.900 0.900 peak 4537 weight 0.10000E+01 volume 0.14850E+01 ppm1 4.174 ppm2 5.148
ASSI { 4555}
(( segid PTB and resid 156 and name HB1 ))
(( segid PTB and resid 156 and name HA ))
2.600 0.900 0.900 peak 4555 weight 0.10000E+01 volume 0.18238E+01 ppm1 3.066 ppm2 4.591
ASSI { 4564}
(( segid PTB and resid 170 and name HB1 ))
(( segid PTB and resid 170 and name HA ))
2.500 0.900 0.900 peak 4564 weight 0.10000E+01 volume 0.21453E+01 ppm1 1.843 ppm2 3.713
OR { 4564}
(( segid PTB and resid 170 and name HB2 ))
(( segid PTB and resid 170 and name HA ))
ASSI { 4650}
(( segid PTB and resid 87 and name HD1 )
OR
( segid PTB and resid 87 and name HD2 ))
(( segid PTB and resid 87 and name HA ))
2.700 0.900 0.900 peak 4650 weight 0.10000E+01 volume 0.14242E+01 ppm1 6.449 ppm2 4.792
ASSI { 4657}
(( segid PTB and resid 113 and name HD2 ))
(( segid PTB and resid 113 and name HA ))
2.400 2.400 2.100 peak 4657 weight 0.10000E+01 volume 0.30408E+01 ppm1 3.235 ppm2 4.279
OR { 4657}
(( segid PTB and resid 113 and name HD1 ))
(( segid PTB and resid 113 and name HA ))
ASSI { 4672}
(( segid PTB and resid 113 and name HB1 ))
(( segid PTB and resid 113 and name HA ))
2.300 0.800 0.800 peak 4672 weight 0.10000E+01 volume 0.35723E+01 ppm1 1.832 ppm2 4.280
ASSI { 4718}
(( segid PTB and resid 181 and name HB2 ))
(( segid PTB and resid 181 and name HA ))
2.200 0.800 0.800 peak 4718 weight 0.10000E+01 volume 0.47558E+01 ppm1 1.931 ppm2 4.596
ASSI { 4720}
(( segid PTB and resid 181 and name HB1 ))
(( segid PTB and resid 181 and name HA ))
2.300 0.800 0.800 peak 4720 weight 0.10000E+01 volume 0.37765E+01 ppm1 1.866 ppm2 4.595
ASSI { 4743}
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
(( segid PTB and resid 83 and name HA ))
2.400 0.800 0.800 peak 4743 weight 0.10000E+01 volume 0.29837E+01 ppm1 6.975 ppm2 5.027
ASSI { 4752}
(( segid PTB and resid 83 and name HB1 ))
(( segid PTB and resid 83 and name HA ))
2.500 0.900 0.900 peak 4752 weight 0.10000E+01 volume 0.20238E+01 ppm1 2.923 ppm2 5.028
ASSI { 4756}
(( segid PTB and resid 111 and name HG2 ))
(( segid PTB and resid 111 and name HA ))
2.400 2.400 2.100 peak 4756 weight 0.10000E+01 volume 0.26216E+01 ppm1 2.440 ppm2 4.379
ASSI { 4757}
(( segid PTB and resid 111 and name HB1 ))
(( segid PTB and resid 111 and name HA ))
2.300 0.800 0.800 peak 4757 weight 0.10000E+01 volume 0.40251E+01 ppm1 2.265 ppm2 4.378
ASSI { 4758}
(( segid PTB and resid 111 and name HB2 ))
(( segid PTB and resid 111 and name HA ))
2.400 0.800 0.800 peak 4758 weight 0.10000E+01 volume 0.27142E+01 ppm1 2.124 ppm2 4.381
ASSI { 4760}
(( segid PTB and resid 158 and name HB2 ))
(( segid PTB and resid 158 and name HA ))
2.500 0.900 0.900 peak 4760 weight 0.10000E+01 volume 0.22140E+01 ppm1 1.840 ppm2 4.754
OR { 4760}
(( segid PTB and resid 158 and name HB1 ))
(( segid PTB and resid 158 and name HA ))
OR { 4760}
(( segid PTB and resid 158 and name HG2 ))
(( segid PTB and resid 158 and name HA ))
ASSI { 4766}
(( segid PTB and resid 181 and name HG1 ))
(( segid PTB and resid 181 and name HA ))
2.400 0.800 0.800 peak 4766 weight 0.10000E+01 volume 0.28480E+01 ppm1 1.389 ppm2 4.599
OR { 4766}
(( segid PTB and resid 181 and name HG2 ))
(( segid PTB and resid 181 and name HA ))
ASSI { 4792}
(( segid PTB and resid 173 and name HN ))
(( segid PTB and resid 172 and name HA ))
2.500 0.900 0.900 peak 4792 weight 0.10000E+01 volume 0.24325E+01 ppm1 9.202 ppm2 5.294
ASSI { 4812}
(( segid PTB and resid 110 and name HB1 ))
(( segid PTB and resid 111 and name HA ))
2.300 2.300 2.200 peak 4812 weight 0.10000E+01 volume 0.37959E+01 ppm1 1.840 ppm2 4.389
OR { 4812}
(( segid PTB and resid 110 and name HB2 ))
(( segid PTB and resid 111 and name HA ))
ASSI { 4815}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 194 and name HA ))
2.200 0.800 0.800 peak 4815 weight 0.10000E+01 volume 0.48566E+01 ppm1 1.277 ppm2 3.608
ASSI { 4817}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 194 and name HA ))
2.400 0.800 0.800 peak 4817 weight 0.10000E+01 volume 0.26403E+01 ppm1 1.023 ppm2 3.613
ASSI { 4862}
(( segid PTB and resid 119 and name HA2 ))
(( segid PTB and resid 118 and name HA ))
2.200 2.200 2.300 peak 4862 weight 0.10000E+01 volume 0.54531E+01 ppm1 4.701 ppm2 4.986
ASSI { 4873}
(( segid PTB and resid 66 and name HD1 ))
(( segid PTB and resid 65 and name HA ))
2.400 0.800 0.800 peak 4873 weight 0.10000E+01 volume 0.32376E+01 ppm1 3.611 ppm2 4.404
OR { 4873}
(( segid PTB and resid 66 and name HD2 ))
(( segid PTB and resid 65 and name HA ))
ASSI { 4892}
(( segid PTB and resid 65 and name HB1 ))
(( segid PTB and resid 65 and name HA ))
2.300 0.800 0.800 peak 4892 weight 0.10000E+01 volume 0.40598E+01 ppm1 1.620 ppm2 4.396
OR { 4892}
(( segid PTB and resid 65 and name HB2 ))
(( segid PTB and resid 65 and name HA ))
ASSI { 4894}
(( segid PTB and resid 86 and name HB1 ))
(( segid PTB and resid 86 and name HA ))
2.500 0.900 0.900 peak 4894 weight 0.10000E+01 volume 0.20281E+01 ppm1 1.504 ppm2 5.023
ASSI { 4898}
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
(( segid PTB and resid 196 and name HA ))
2.500 0.900 0.900 peak 4898 weight 0.10000E+01 volume 0.22917E+01 ppm1 0.949 ppm2 4.199
ASSI { 4899}
(( segid PTB and resid 128 and name HA ))
(( segid PTB and resid 123 and name HA ))
2.900 1.000 1.000 peak 4899 weight 0.10000E+01 volume 0.88476E+00 ppm1 5.316 ppm2 4.293
ASSI { 4911}
(( segid PTB and resid 65 and name HA ))
(( segid PTB and resid 65 and name HG1 ))
2.900 1.000 1.000 peak 4911 weight 0.10000E+01 volume 0.10097E+01 ppm1 4.405 ppm2 1.219
ASSI { 4919}
(( segid PTB and resid 70 and name HG2 ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
3.000 1.000 1.000 peak 4919 weight 0.10000E+01 volume 0.80958E+00 ppm1 2.399 ppm2 1.521
OR { 4919}
(( segid PTB and resid 70 and name HG1 ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
ASSI { 4929}
(( segid PTB and resid 74 and name HA ))
(( segid PTB and resid 77 and name HB2 ))
2.600 0.900 0.900 peak 4929 weight 0.10000E+01 volume 0.18006E+01 ppm1 4.000 ppm2 1.815
ASSI { 57}
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
(( segid PTB and resid 76 and name HB ))
2.900 1.700 1.700 peak 57 weight 0.10000E+01 volume 0.13851E+01 ppm1 0.586 ppm2 2.137
ASSI { 136}
(( segid PTB and resid 113 and name HD2 ))
(( segid PTB and resid 114 and name HB2 ))
3.000 1.800 1.800 peak 136 weight 0.10000E+01 volume 0.12014E+01 ppm1 3.239 ppm2 1.709
OR { 136}
(( segid PTB and resid 113 and name HD1 ))
(( segid PTB and resid 114 and name HB2 ))
OR { 136}
(( segid PTB and resid 113 and name HD2 ))
(( segid PTB and resid 114 and name HB1 ))
OR { 136}
(( segid PTB and resid 113 and name HD1 ))
(( segid PTB and resid 114 and name HB1 ))
ASSI { 191}
(( segid PTB and resid 154 and name HA ))
(( segid PTB and resid 154 and name HB1 ))
2.700 1.500 1.500 peak 191 weight 0.10000E+01 volume 0.22523E+01 ppm1 4.115 ppm2 1.846
OR { 191}
(( segid PTB and resid 154 and name HA ))
(( segid PTB and resid 154 and name HB2 ))
ASSI { 193}
(( segid PTB and resid 154 and name HD1 ))
(( segid PTB and resid 154 and name HB1 ))
2.800 1.600 1.600 peak 193 weight 0.10000E+01 volume 0.17670E+01 ppm1 3.151 ppm2 1.876
OR { 193}
(( segid PTB and resid 154 and name HD1 ))
(( segid PTB and resid 154 and name HB2 ))
ASSI { 228}
(( segid PTB and resid 201 and name HD1 ))
(( segid PTB and resid 201 and name HB2 ))
3.100 1.900 1.900 peak 228 weight 0.10000E+01 volume 0.90000E+00 ppm1 3.157 ppm2 2.013
OR { 228}
(( segid PTB and resid 201 and name HD1 ))
(( segid PTB and resid 201 and name HB1 ))
OR { 228}
(( segid PTB and resid 201 and name HD2 ))
(( segid PTB and resid 201 and name HB2 ))
OR { 228}
(( segid PTB and resid 201 and name HD2 ))
(( segid PTB and resid 201 and name HB1 ))
ASSI { 229}
(( segid PTB and resid 134 and name HB1 ))
(( segid PTB and resid 118 and name HB1 ))
2.900 1.700 1.700 peak 229 weight 0.10000E+01 volume 0.13325E+01 ppm1 2.209 ppm2 1.770
OR { 229}
(( segid PTB and resid 134 and name HB2 ))
(( segid PTB and resid 118 and name HB1 ))
ASSI { 246}
(( segid PTB and resid 77 and name HA ))
(( segid PTB and resid 77 and name HB2 ))
2.900 1.700 1.700 peak 246 weight 0.10000E+01 volume 0.14871E+01 ppm1 3.895 ppm2 1.908
ASSI { 278}
(( segid PTB and resid 77 and name HD2 ))
(( segid PTB and resid 77 and name HB1 ))
2.900 1.700 1.700 peak 278 weight 0.10000E+01 volume 0.12524E+01 ppm1 3.085 ppm2 1.733
OR { 278}
(( segid PTB and resid 77 and name HD1 ))
(( segid PTB and resid 77 and name HB1 ))
ASSI { 285}
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
(( segid PTB and resid 107 and name HD1 ))
2.900 1.700 1.700 peak 285 weight 0.10000E+01 volume 0.13917E+01 ppm1 1.062 ppm2 1.678
ASSI { 286}
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
(( segid PTB and resid 77 and name HG1 ))
3.000 1.800 1.800 peak 286 weight 0.10000E+01 volume 0.12224E+01 ppm1 1.032 ppm2 1.544
OR { 286}
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
(( segid PTB and resid 77 and name HG2 ))
OR { 286}
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
(( segid PTB and resid 77 and name HG1 ))
ASSI { 295}
(( segid PTB and resid 107 and name HA ))
(( segid PTB and resid 107 and name HD1 ))
2.900 1.700 1.700 peak 295 weight 0.10000E+01 volume 0.13323E+01 ppm1 3.890 ppm2 1.687
ASSI { 305}
(( segid PTB and resid 158 and name HB1 ))
(( segid PTB and resid 157 and name HB1 ))
2.700 1.500 1.500 peak 305 weight 0.10000E+01 volume 0.19432E+01 ppm1 1.855 ppm2 2.135
OR { 305}
(( segid PTB and resid 158 and name HB2 ))
(( segid PTB and resid 157 and name HB1 ))
OR { 305}
(( segid PTB and resid 158 and name HG2 ))
(( segid PTB and resid 157 and name HB1 ))
OR { 305}
(( segid PTB and resid 158 and name HG1 ))
(( segid PTB and resid 157 and name HB1 ))
ASSI { 307}
(( segid PTB and resid 86 and name HB2 ))
(( segid PTB and resid 86 and name HD2 ))
2.800 1.600 1.600 peak 307 weight 0.10000E+01 volume 0.16191E+01 ppm1 1.825 ppm2 1.585
OR { 307}
(( segid PTB and resid 86 and name HB2 ))
(( segid PTB and resid 86 and name HD1 ))
ASSI { 330}
(( segid PTB and resid 157 and name HB1 ))
(( segid PTB and resid 158 and name HB1 ))
2.800 1.600 1.600 peak 330 weight 0.10000E+01 volume 0.16372E+01 ppm1 2.188 ppm2 1.775
OR { 330}
(( segid PTB and resid 157 and name HB1 ))
(( segid PTB and resid 158 and name HB2 ))
ASSI { 336}
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
(( segid PTB and resid 110 and name HG2 ))
3.000 1.800 1.800 peak 336 weight 0.10000E+01 volume 0.12018E+01 ppm1 0.613 ppm2 1.449
OR { 336}
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
(( segid PTB and resid 110 and name HG1 ))
OR { 336}
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
(( segid PTB and resid 110 and name HG2 ))
ASSI { 366}
(( segid PTB and resid 110 and name HD1 ))
(( segid PTB and resid 110 and name HG1 ))
2.900 1.700 1.700 peak 366 weight 0.10000E+01 volume 0.12954E+01 ppm1 2.969 ppm2 1.453
OR { 366}
(( segid PTB and resid 110 and name HD1 ))
(( segid PTB and resid 110 and name HG2 ))
ASSI { 396}
(( segid PTB and resid 65 and name HA ))
(( segid PTB and resid 65 and name HD1 ))
2.900 1.700 1.700 peak 396 weight 0.10000E+01 volume 0.13493E+01 ppm1 4.399 ppm2 1.578
OR { 396}
(( segid PTB and resid 65 and name HA ))
(( segid PTB and resid 65 and name HD2 ))
ASSI { 400}
(( segid PTB and resid 84 and name HB2 ))
(( segid PTB and resid 181 and name HD1 ))
2.800 1.600 1.600 peak 400 weight 0.10000E+01 volume 0.15958E+01 ppm1 4.000 ppm2 1.760
OR { 400}
(( segid PTB and resid 84 and name HB2 ))
(( segid PTB and resid 181 and name HD2 ))
OR { 400}
(( segid PTB and resid 84 and name HB1 ))
(( segid PTB and resid 181 and name HD1 ))
OR { 400}
(( segid PTB and resid 84 and name HB1 ))
(( segid PTB and resid 181 and name HD2 ))
ASSI { 403}
(( segid PTB and resid 113 and name HD1 ))
(( segid PTB and resid 113 and name HB1 ))
2.800 1.600 1.600 peak 403 weight 0.10000E+01 volume 0.18709E+01 ppm1 3.226 ppm2 1.815
OR { 403}
(( segid PTB and resid 113 and name HD2 ))
(( segid PTB and resid 113 and name HB1 ))
ASSI { 435}
(( segid PTB and resid 145 and name HA ))
(( segid PTB and resid 145 and name HB1 ))
2.800 1.600 1.600 peak 435 weight 0.10000E+01 volume 0.15978E+01 ppm1 3.926 ppm2 2.103
ASSI { 436}
(( segid PTB and resid 113 and name HD1 ))
(( segid PTB and resid 113 and name HB2 ))
2.700 1.500 1.500 peak 436 weight 0.10000E+01 volume 0.20454E+01 ppm1 3.230 ppm2 2.030
OR { 436}
(( segid PTB and resid 113 and name HD2 ))
(( segid PTB and resid 113 and name HB2 ))
ASSI { 440}
(( segid PTB and resid 110 and name HB1 ))
(( segid PTB and resid 111 and name HB1 ))
2.800 1.600 1.600 peak 440 weight 0.10000E+01 volume 0.15724E+01 ppm1 1.853 ppm2 2.196
OR { 440}
(( segid PTB and resid 110 and name HB2 ))
(( segid PTB and resid 111 and name HB1 ))
ASSI { 441}
(( segid PTB and resid 107 and name HD1 ))
(( segid PTB and resid 111 and name HB1 ))
2.800 1.600 1.600 peak 441 weight 0.10000E+01 volume 0.15771E+01 ppm1 1.716 ppm2 2.201
ASSI { 443}
(( segid PTB and resid 181 and name HG1 ))
(( segid PTB and resid 181 and name HD1 ))
1.900 0.700 0.700 peak 443 weight 0.10000E+01 volume 0.15747E+02 ppm1 1.402 ppm2 1.714
OR { 443}
(( segid PTB and resid 181 and name HG1 ))
(( segid PTB and resid 181 and name HD2 ))
OR { 443}
(( segid PTB and resid 181 and name HG2 ))
(( segid PTB and resid 181 and name HD2 ))
OR { 443}
(( segid PTB and resid 181 and name HG2 ))
(( segid PTB and resid 181 and name HD1 ))
ASSI { 444}
(( segid PTB and resid 107 and name HG2 ))
(( segid PTB and resid 111 and name HB1 ))
2.900 1.700 1.700 peak 444 weight 0.10000E+01 volume 0.14351E+01 ppm1 1.326 ppm2 2.235
OR { 444}
(( segid PTB and resid 107 and name HG1 ))
(( segid PTB and resid 111 and name HB1 ))
ASSI { 464}
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
(( segid PTB and resid 136 and name HB1 ))
2.900 1.700 1.700 peak 464 weight 0.10000E+01 volume 0.13026E+01 ppm1 0.809 ppm2 2.013
ASSI { 496}
(( segid PTB and resid 70 and name HA ))
(( segid PTB and resid 70 and name HB2 ))
2.500 1.300 1.300 peak 496 weight 0.10000E+01 volume 0.35274E+01 ppm1 4.186 ppm2 2.135
ASSI { 500}
(( segid PTB and resid 136 and name HE1 ))
(( segid PTB and resid 136 and name HD1 ))
2.700 1.500 1.500 peak 500 weight 0.10000E+01 volume 0.21911E+01 ppm1 3.041 ppm2 1.607
OR { 500}
(( segid PTB and resid 136 and name HE2 ))
(( segid PTB and resid 136 and name HD1 ))
ASSI { 507}
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
(( segid PTB and resid 136 and name HD2 ))
2.900 1.700 1.700 peak 507 weight 0.10000E+01 volume 0.13333E+01 ppm1 0.815 ppm2 1.729
ASSI { 526}
(( segid PTB and resid 158 and name HD2 ))
(( segid PTB and resid 158 and name HG2 ))
2.800 1.600 1.600 peak 526 weight 0.10000E+01 volume 0.15383E+01 ppm1 3.179 ppm2 1.806
OR { 526}
(( segid PTB and resid 158 and name HD2 ))
(( segid PTB and resid 158 and name HG1 ))
OR { 526}
(( segid PTB and resid 158 and name HD1 ))
(( segid PTB and resid 158 and name HG1 ))
OR { 526}
(( segid PTB and resid 158 and name HD1 ))
(( segid PTB and resid 158 and name HG2 ))
ASSI { 535}
(( segid PTB and resid 136 and name HB2 ))
(( segid PTB and resid 136 and name HD2 ))
2.900 1.700 1.700 peak 535 weight 0.10000E+01 volume 0.14028E+01 ppm1 2.233 ppm2 1.714
ASSI { 542}
(( segid PTB and resid 86 and name HG2 ))
(( segid PTB and resid 118 and name HG1 ))
2.700 1.500 1.500 peak 542 weight 0.10000E+01 volume 0.20821E+01 ppm1 1.247 ppm2 1.708
OR { 542}
(( segid PTB and resid 86 and name HG1 ))
(( segid PTB and resid 118 and name HG1 ))
OR { 542}
(( segid PTB and resid 86 and name HG2 ))
(( segid PTB and resid 118 and name HG2 ))
OR { 542}
(( segid PTB and resid 86 and name HG1 ))
(( segid PTB and resid 118 and name HG2 ))
ASSI { 543}
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
(( segid PTB and resid 180 and name HB1 ))
3.000 1.800 1.800 peak 543 weight 0.10000E+01 volume 0.12213E+01 ppm1 0.891 ppm2 2.639
OR { 543}
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
(( segid PTB and resid 180 and name HB1 ))
ASSI { 568}
(( segid PTB and resid 201 and name HD2 ))
(( segid PTB and resid 201 and name HG1 ))
2.700 1.500 1.500 peak 568 weight 0.10000E+01 volume 0.20057E+01 ppm1 3.138 ppm2 1.737
OR { 568}
(( segid PTB and resid 201 and name HD1 ))
(( segid PTB and resid 201 and name HG1 ))
OR { 568}
(( segid PTB and resid 201 and name HD1 ))
(( segid PTB and resid 201 and name HG2 ))
OR { 568}
(( segid PTB and resid 201 and name HD2 ))
(( segid PTB and resid 201 and name HG2 ))
ASSI { 571}
(( segid PTB and resid 70 and name HG1 ))
(( segid PTB and resid 70 and name HB2 ))
2.100 0.900 0.900 peak 571 weight 0.10000E+01 volume 0.90956E+01 ppm1 2.415 ppm2 2.106
OR { 571}
(( segid PTB and resid 70 and name HG2 ))
(( segid PTB and resid 70 and name HB2 ))
ASSI { 584}
(( segid PTB and resid 100 and name HB2 ))
(( segid PTB and resid 100 and name HB1 ))
2.300 1.100 1.100 peak 584 weight 0.10000E+01 volume 0.58769E+01 ppm1 2.468 ppm2 2.100
ASSI { 585}
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
(( segid PTB and resid 81 and name HB1 ))
2.900 1.700 1.700 peak 585 weight 0.10000E+01 volume 0.12840E+01 ppm1 1.366 ppm2 3.117
ASSI { 587}
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
(( segid PTB and resid 100 and name HB1 ))
2.800 1.600 1.600 peak 587 weight 0.10000E+01 volume 0.15562E+01 ppm1 0.872 ppm2 2.098
ASSI { 599}
(( segid PTB and resid 81 and name HA ))
(( segid PTB and resid 81 and name HB2 ))
2.900 1.700 1.700 peak 599 weight 0.10000E+01 volume 0.13506E+01 ppm1 4.246 ppm2 2.205
ASSI { 609}
(( segid PTB and resid 189 and name HB2 ))
(( segid PTB and resid 189 and name HB1 ))
2.900 1.700 1.700 peak 609 weight 0.10000E+01 volume 0.14579E+01 ppm1 2.646 ppm2 3.342
ASSI { 616}
(( segid PTB and resid 123 and name HB ))
(( segid PTB and resid 81 and name HB1 ))
3.000 1.800 1.800 peak 616 weight 0.10000E+01 volume 0.12123E+01 ppm1 1.834 ppm2 3.082
ASSI { 617}
(( segid GPPY and resid 7 and name HG ))
(( segid PTB and resid 204 and name HG1 ))
2.400 2.400 2.100 peak 617 weight 0.10000E+01 volume 0.41030E+01 ppm1 1.590 ppm2 1.817
ASSI { 623}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 81 and name HB1 ))
2.900 1.700 1.700 peak 623 weight 0.10000E+01 volume 0.12591E+01 ppm1 0.994 ppm2 3.085
ASSI { 652}
(( segid GPPY and resid 7 and name HA ))
(( segid PTB and resid 204 and name HG1 ))
2.800 1.600 1.600 peak 652 weight 0.10000E+01 volume 0.17205E+01 ppm1 4.120 ppm2 1.811
ASSI { 675}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 139 and name HG11))
2.300 1.100 1.100 peak 675 weight 0.10000E+01 volume 0.49628E+01 ppm1 0.633 ppm2 1.368
OR { 675}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 139 and name HG12))
ASSI { 694}
(( segid PTB and resid 91 and name HA ))
(( segid PTB and resid 114 and name HG1 ))
2.600 1.400 1.400 peak 694 weight 0.10000E+01 volume 0.27407E+01 ppm1 4.385 ppm2 1.604
OR { 694}
(( segid PTB and resid 91 and name HA ))
(( segid PTB and resid 114 and name HG2 ))
ASSI { 698}
(( segid GPPY and resid 7 and name HA ))
(( segid PTB and resid 204 and name HG1 ))
2.700 1.500 1.500 peak 698 weight 0.10000E+01 volume 0.19472E+01 ppm1 4.100 ppm2 1.747
OR { 698}
(( segid GPPY and resid 7 and name HA ))
(( segid PTB and resid 204 and name HG2 ))
ASSI { 699}
(( segid PTB and resid 88 and name HA ))
(( segid PTB and resid 116 and name HG2 ))
3.100 1.900 1.900 peak 699 weight 0.10000E+01 volume 0.90000E+00 ppm1 3.996 ppm2 1.968
OR { 699}
(( segid PTB and resid 88 and name HA ))
(( segid PTB and resid 116 and name HG1 ))
ASSI { 756}
(( segid PTB and resid 112 and name HB2 ))
(( segid PTB and resid 113 and name HG1 ))
2.900 1.700 1.700 peak 756 weight 0.10000E+01 volume 0.14561E+01 ppm1 3.961 ppm2 1.748
OR { 756}
(( segid PTB and resid 112 and name HB2 ))
(( segid PTB and resid 113 and name HG2 ))
ASSI { 781}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 114 and name HG1 ))
2.300 2.300 2.200 peak 781 weight 0.10000E+01 volume 0.53665E+01 ppm1 0.851 ppm2 1.578
OR { 781}
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
(( segid PTB and resid 114 and name HG2 ))
ASSI { 892}
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
(( segid PTB and resid 193 and name HB2 ))
2.900 1.700 1.700 peak 892 weight 0.10000E+01 volume 0.12736E+01 ppm1 0.575 ppm2 2.592
ASSI { 912}
(( segid PTB and resid 86 and name HD1 ))
(( segid PTB and resid 86 and name HG2 ))
2.600 1.400 1.400 peak 912 weight 0.10000E+01 volume 0.25520E+01 ppm1 1.640 ppm2 1.225
OR { 912}
(( segid PTB and resid 86 and name HD1 ))
(( segid PTB and resid 86 and name HG1 ))
OR { 912}
(( segid PTB and resid 86 and name HD2 ))
(( segid PTB and resid 86 and name HG1 ))
OR { 912}
(( segid PTB and resid 86 and name HD2 ))
(( segid PTB and resid 86 and name HG2 ))
ASSI { 920}
(( segid PTB and resid 76 and name HG11)
OR
( segid PTB and resid 76 and name HG13)
OR
( segid PTB and resid 76 and name HG12))
(( segid PTB and resid 193 and name HB1 ))
2.900 1.700 1.700 peak 920 weight 0.10000E+01 volume 0.12947E+01 ppm1 0.589 ppm2 3.082
ASSI { 931}
(( segid PTB and resid 138 and name HA ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
2.700 1.500 1.500 peak 931 weight 0.10000E+01 volume 0.22597E+01 ppm1 4.553 ppm2 0.847
ASSI { 937}
(( segid PTB and resid 176 and name HA2 ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
2.900 1.700 1.700 peak 937 weight 0.10000E+01 volume 0.12431E+01 ppm1 3.115 ppm2 0.503
ASSI { 938}
(( segid PTB and resid 176 and name HA2 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
2.900 1.700 1.700 peak 938 weight 0.10000E+01 volume 0.13582E+01 ppm1 3.089 ppm2 0.591
ASSI { 941}
(( segid PTB and resid 141 and name HB1 ))
(( segid PTB and resid 138 and name HD21)
OR
( segid PTB and resid 138 and name HD23)
OR
( segid PTB and resid 138 and name HD22))
2.700 1.500 1.500 peak 941 weight 0.10000E+01 volume 0.21510E+01 ppm1 2.857 ppm2 0.851
ASSI { 952}
(( segid PTB and resid 88 and name HB1 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
2.300 1.100 1.100 peak 952 weight 0.10000E+01 volume 0.53867E+01 ppm1 1.384 ppm2 0.589
OR { 952}
(( segid PTB and resid 88 and name HB2 ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
ASSI { 957}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 193 and name HB2 ))
2.800 1.600 1.600 peak 957 weight 0.10000E+01 volume 0.15890E+01 ppm1 0.997 ppm2 2.595
ASSI { 973}
(( segid PTB and resid 187 and name HA ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
2.700 1.500 1.500 peak 973 weight 0.10000E+01 volume 0.19033E+01 ppm1 2.695 ppm2 0.138
ASSI { 1001}
(( segid PTB and resid 159 and name HA2 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
2.900 1.700 1.700 peak 1001 weight 0.10000E+01 volume 0.15227E+01 ppm1 3.573 ppm2 0.882
OR { 1001}
(( segid PTB and resid 159 and name HA1 ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
ASSI { 1024}
(( segid PTB and resid 121 and name HD21)
OR
( segid PTB and resid 121 and name HD23)
OR
( segid PTB and resid 121 and name HD22))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.700 1.500 1.500 peak 1024 weight 0.10000E+01 volume 0.23070E+01 ppm1 0.144 ppm2 0.261
ASSI { 1030}
(( segid PTB and resid 107 and name HA ))
(( segid PTB and resid 107 and name HG2 ))
2.800 1.600 1.600 peak 1030 weight 0.10000E+01 volume 0.18177E+01 ppm1 3.883 ppm2 1.318
ASSI { 1036}
(( segid PTB and resid 97 and name HD2 ))
(( segid PTB and resid 97 and name HG1 ))
2.800 1.600 1.600 peak 1036 weight 0.10000E+01 volume 0.15879E+01 ppm1 3.023 ppm2 1.321
OR { 1036}
(( segid PTB and resid 97 and name HD2 ))
(( segid PTB and resid 97 and name HG2 ))
OR { 1036}
(( segid PTB and resid 97 and name HD1 ))
(( segid PTB and resid 97 and name HG2 ))
OR { 1036}
(( segid PTB and resid 97 and name HD1 ))
(( segid PTB and resid 97 and name HG1 ))
ASSI { 1038}
(( segid PTB and resid 107 and name HE1 ))
(( segid PTB and resid 107 and name HG1 ))
2.800 1.600 1.600 peak 1038 weight 0.10000E+01 volume 0.16717E+01 ppm1 2.939 ppm2 1.340
OR { 1038}
(( segid PTB and resid 107 and name HE1 ))
(( segid PTB and resid 107 and name HG2 ))
ASSI { 1043}
(( segid PTB and resid 202 and name HB2 ))
(( segid PTB and resid 202 and name HG2 ))
2.400 1.200 1.200 peak 1043 weight 0.10000E+01 volume 0.41542E+01 ppm1 2.005 ppm2 1.550
OR { 1043}
(( segid PTB and resid 202 and name HB1 ))
(( segid PTB and resid 202 and name HG2 ))
OR { 1043}
(( segid PTB and resid 202 and name HB1 ))
(( segid PTB and resid 202 and name HG1 ))
OR { 1043}
(( segid PTB and resid 202 and name HB2 ))
(( segid PTB and resid 202 and name HG1 ))
ASSI { 1050}
(( segid PTB and resid 144 and name HB ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.900 1.700 1.700 peak 1050 weight 0.10000E+01 volume 0.14887E+01 ppm1 1.635 ppm2 0.301
OR { 1050}
(( segid PTB and resid 144 and name HG11))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
ASSI { 1062}
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
1.700 0.600 0.600 peak 1062 weight 0.10000E+01 volume 0.32731E+02 ppm1 0.758 ppm2 0.852
ASSI { 1096}
(( segid GPPY and resid 3 and name HB ))
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
2.300 1.100 1.100 peak 1096 weight 0.10000E+01 volume 0.53079E+01 ppm1 1.928 ppm2 0.947
ASSI { 1127}
(( segid PTB and resid 65 and name HE2 ))
(( segid PTB and resid 65 and name HG2 ))
2.700 1.500 1.500 peak 1127 weight 0.10000E+01 volume 0.20581E+01 ppm1 2.861 ppm2 1.311
OR { 1127}
(( segid PTB and resid 65 and name HE1 ))
(( segid PTB and resid 65 and name HG2 ))
ASSI { 1145}
(( segid PTB and resid 84 and name HB2 ))
(( segid PTB and resid 181 and name HG1 ))
2.800 1.600 1.600 peak 1145 weight 0.10000E+01 volume 0.17598E+01 ppm1 3.982 ppm2 1.386
OR { 1145}
(( segid PTB and resid 84 and name HB1 ))
(( segid PTB and resid 181 and name HG1 ))
OR { 1145}
(( segid PTB and resid 84 and name HB2 ))
(( segid PTB and resid 181 and name HG2 ))
OR { 1145}
(( segid PTB and resid 84 and name HB1 ))
(( segid PTB and resid 181 and name HG2 ))
ASSI { 1146}
(( segid PTB and resid 181 and name HE1 ))
(( segid PTB and resid 181 and name HG2 ))
2.400 1.200 1.200 peak 1146 weight 0.10000E+01 volume 0.41240E+01 ppm1 3.054 ppm2 1.394
OR { 1146}
(( segid PTB and resid 181 and name HE1 ))
(( segid PTB and resid 181 and name HG1 ))
OR { 1146}
(( segid PTB and resid 181 and name HE2 ))
(( segid PTB and resid 181 and name HG2 ))
ASSI { 1148}
(( segid PTB and resid 141 and name HB1 ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.800 1.600 1.600 peak 1148 weight 0.10000E+01 volume 0.16849E+01 ppm1 2.883 ppm2 0.856
ASSI { 1151}
(( segid PTB and resid 181 and name HB2 ))
(( segid PTB and resid 181 and name HG2 ))
2.400 1.200 1.200 peak 1151 weight 0.10000E+01 volume 0.43605E+01 ppm1 1.928 ppm2 1.395
OR { 1151}
(( segid PTB and resid 181 and name HB2 ))
(( segid PTB and resid 181 and name HG1 ))
ASSI { 1152}
(( segid PTB and resid 131 and name HB ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.900 1.700 1.700 peak 1152 weight 0.10000E+01 volume 0.14261E+01 ppm1 1.931 ppm2 0.863
ASSI { 1156}
(( segid PTB and resid 138 and name HB1 ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.000 0.800 0.800 peak 1156 weight 0.10000E+01 volume 0.11306E+02 ppm1 1.540 ppm2 0.860
ASSI { 1159}
(( segid PTB and resid 139 and name HG11))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.500 1.300 1.300 peak 1159 weight 0.10000E+01 volume 0.34034E+01 ppm1 1.332 ppm2 0.863
OR { 1159}
(( segid PTB and resid 139 and name HG12))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
ASSI { 1177}
(( segid PTB and resid 147 and name HA ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
2.900 1.700 1.700 peak 1177 weight 0.10000E+01 volume 0.13207E+01 ppm1 4.467 ppm2 1.384
ASSI { 1181}
(( segid PTB and resid 162 and name HB1 ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
2.800 1.600 1.600 peak 1181 weight 0.10000E+01 volume 0.15670E+01 ppm1 2.675 ppm2 1.382
ASSI { 1182}
(( segid PTB and resid 147 and name HB ))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
2.800 1.600 1.600 peak 1182 weight 0.10000E+01 volume 0.18015E+01 ppm1 2.450 ppm2 1.398
ASSI { 1188}
(( segid PTB and resid 128 and name HD21)
OR
( segid PTB and resid 128 and name HD23)
OR
( segid PTB and resid 128 and name HD22))
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
2.500 1.300 1.300 peak 1188 weight 0.10000E+01 volume 0.36255E+01 ppm1 0.782 ppm2 0.308
ASSI { 1193}
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
(( segid PTB and resid 147 and name HG11)
OR
( segid PTB and resid 147 and name HG13)
OR
( segid PTB and resid 147 and name HG12))
2.800 1.600 1.600 peak 1193 weight 0.10000E+01 volume 0.17456E+01 ppm1 0.302 ppm2 1.380
ASSI { 1200}
(( segid PTB and resid 82 and name HB1 ))
(( segid PTB and resid 120 and name HD21)
OR
( segid PTB and resid 120 and name HD23)
OR
( segid PTB and resid 120 and name HD22))
2.500 1.300 1.300 peak 1200 weight 0.10000E+01 volume 0.31263E+01 ppm1 3.008 ppm2 0.719
ASSI { 1228}
(( segid PTB and resid 104 and name HG2 ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
2.700 1.500 1.500 peak 1228 weight 0.10000E+01 volume 0.21933E+01 ppm1 2.395 ppm2 0.819
OR { 1228}
(( segid PTB and resid 104 and name HG1 ))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
ASSI { 1236}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
2.900 1.700 1.700 peak 1236 weight 0.10000E+01 volume 0.14462E+01 ppm1 1.277 ppm2 0.692
ASSI { 1237}
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
2.700 1.500 1.500 peak 1237 weight 0.10000E+01 volume 0.19011E+01 ppm1 1.003 ppm2 0.819
ASSI { 1259}
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
2.300 1.100 1.100 peak 1259 weight 0.10000E+01 volume 0.62263E+01 ppm1 1.473 ppm2 0.996
ASSI { 1335}
(( segid PTB and resid 114 and name HD1 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.900 1.700 1.700 peak 1335 weight 0.10000E+01 volume 0.12842E+01 ppm1 3.175 ppm2 0.426
OR { 1335}
(( segid PTB and resid 114 and name HD2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
ASSI { 1345}
(( segid PTB and resid 178 and name HB1 ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
2.500 1.300 1.300 peak 1345 weight 0.10000E+01 volume 0.36258E+01 ppm1 1.404 ppm2 0.594
ASSI { 1347}
(( segid PTB and resid 88 and name HB1 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.800 1.600 1.600 peak 1347 weight 0.10000E+01 volume 0.18382E+01 ppm1 1.314 ppm2 0.422
OR { 1347}
(( segid PTB and resid 88 and name HB2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
ASSI { 1369}
(( segid PTB and resid 159 and name HA2 ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
2.800 1.600 1.600 peak 1369 weight 0.10000E+01 volume 0.18191E+01 ppm1 3.603 ppm2 0.591
OR { 1369}
(( segid PTB and resid 159 and name HA1 ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
ASSI { 1374}
(( segid PTB and resid 121 and name HB2 ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
2.400 1.200 1.200 peak 1374 weight 0.10000E+01 volume 0.39498E+01 ppm1 1.837 ppm2 0.607
OR { 1374}
(( segid PTB and resid 121 and name HB1 ))
(( segid PTB and resid 121 and name HD11)
OR
( segid PTB and resid 121 and name HD13)
OR
( segid PTB and resid 121 and name HD12))
ASSI { 1375}
(( segid PTB and resid 173 and name HB1 ))
(( segid PTB and resid 169 and name HB ))
2.900 1.700 1.700 peak 1375 weight 0.10000E+01 volume 0.14612E+01 ppm1 1.652 ppm2 4.292
OR { 1375}
(( segid PTB and resid 173 and name HB2 ))
(( segid PTB and resid 169 and name HB ))
ASSI { 1395}
(( segid PTB and resid 99 and name HG2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
2.900 1.700 1.700 peak 1395 weight 0.10000E+01 volume 0.14199E+01 ppm1 2.880 ppm2 1.572
ASSI { 1414}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
2.300 1.100 1.100 peak 1414 weight 0.10000E+01 volume 0.53717E+01 ppm1 1.004 ppm2 0.605
ASSI { 1432}
(( segid PTB and resid 159 and name HA1 ))
(( segid PTB and resid 178 and name HG ))
2.800 1.600 1.600 peak 1432 weight 0.10000E+01 volume 0.17435E+01 ppm1 3.560 ppm2 1.553
OR { 1432}
(( segid PTB and resid 159 and name HA2 ))
(( segid PTB and resid 178 and name HG ))
ASSI { 1434}
(( segid PTB and resid 102 and name HB1 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
3.000 1.800 1.800 peak 1434 weight 0.10000E+01 volume 0.12279E+01 ppm1 3.176 ppm2 1.575
ASSI { 1438}
(( segid PTB and resid 104 and name HB1 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.900 1.700 1.700 peak 1438 weight 0.10000E+01 volume 0.13726E+01 ppm1 2.109 ppm2 1.094
OR { 1438}
(( segid PTB and resid 104 and name HB2 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
ASSI { 1439}
(( segid GPPY and resid 5 and name HB2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
2.700 1.500 1.500 peak 1439 weight 0.10000E+01 volume 0.21028E+01 ppm1 2.027 ppm2 1.571
ASSI { 1442}
(( segid PTB and resid 107 and name HD2 ))
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
2.900 1.700 1.700 peak 1442 weight 0.10000E+01 volume 0.12477E+01 ppm1 1.608 ppm2 1.087
ASSI { 1449}
(( segid PTB and resid 187 and name HD11)
OR
( segid PTB and resid 187 and name HD13)
OR
( segid PTB and resid 187 and name HD12))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.800 1.600 1.600 peak 1449 weight 0.10000E+01 volume 0.17594E+01 ppm1 -0.082 ppm2 0.951
ASSI { 1471}
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.700 1.500 1.500 peak 1471 weight 0.10000E+01 volume 0.21036E+01 ppm1 1.152 ppm2 0.927
ASSI { 1498}
(( segid PTB and resid 77 and name HB1 ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
2.800 1.600 1.600 peak 1498 weight 0.10000E+01 volume 0.17998E+01 ppm1 1.751 ppm2 1.019
ASSI { 1499}
(( segid PTB and resid 139 and name HB ))
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
2.500 1.300 1.300 peak 1499 weight 0.10000E+01 volume 0.37467E+01 ppm1 1.747 ppm2 0.900
ASSI { 1524}
(( segid PTB and resid 200 and name HB2 ))
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
2.900 1.700 1.700 peak 1524 weight 0.10000E+01 volume 0.14169E+01 ppm1 2.366 ppm2 1.024
ASSI { 1528}
(( segid PTB and resid 88 and name HB1 ))
(( segid PTB and resid 88 and name HG ))
2.800 1.600 1.600 peak 1528 weight 0.10000E+01 volume 0.15854E+01 ppm1 1.295 ppm2 1.027
OR { 1528}
(( segid PTB and resid 88 and name HB2 ))
(( segid PTB and resid 88 and name HG ))
ASSI { 1553}
(( segid PTB and resid 116 and name HA ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.600 1.400 1.400 peak 1553 weight 0.10000E+01 volume 0.24611E+01 ppm1 4.510 ppm2 0.634
ASSI { 1559}
(( segid PTB and resid 145 and name HB2 ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.700 1.500 1.500 peak 1559 weight 0.10000E+01 volume 0.20493E+01 ppm1 2.023 ppm2 1.376
ASSI { 1572}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.600 1.400 1.400 peak 1572 weight 0.10000E+01 volume 0.25270E+01 ppm1 1.071 ppm2 0.636
OR { 1572}
(( segid PTB and resid 109 and name HB1 ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
ASSI { 1600}
(( segid PTB and resid 170 and name HD2 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
2.900 1.700 1.700 peak 1600 weight 0.10000E+01 volume 0.14052E+01 ppm1 3.139 ppm2 1.184
OR { 1600}
(( segid PTB and resid 170 and name HD1 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
ASSI { 1603}
(( segid PTB and resid 111 and name HG2 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
2.900 1.700 1.700 peak 1603 weight 0.10000E+01 volume 0.12490E+01 ppm1 2.414 ppm2 0.937
ASSI { 1605}
(( segid PTB and resid 145 and name HG1 ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.700 1.500 1.500 peak 1605 weight 0.10000E+01 volume 0.21010E+01 ppm1 2.308 ppm2 1.371
OR { 1605}
(( segid PTB and resid 145 and name HG2 ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
ASSI { 1608}
(( segid PTB and resid 145 and name HB1 ))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.800 1.600 1.600 peak 1608 weight 0.10000E+01 volume 0.16378E+01 ppm1 2.133 ppm2 1.369
ASSI { 1613}
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
2.600 1.400 1.400 peak 1613 weight 0.10000E+01 volume 0.28050E+01 ppm1 1.541 ppm2 1.086
ASSI { 1622}
(( segid PTB and resid 147 and name HG21)
OR
( segid PTB and resid 147 and name HG23)
OR
( segid PTB and resid 147 and name HG22))
(( segid PTB and resid 143 and name HG21)
OR
( segid PTB and resid 143 and name HG23)
OR
( segid PTB and resid 143 and name HG22))
2.700 1.500 1.500 peak 1622 weight 0.10000E+01 volume 0.21943E+01 ppm1 0.916 ppm2 1.367
ASSI { 1625}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
2.700 1.500 1.500 peak 1625 weight 0.10000E+01 volume 0.20267E+01 ppm1 0.629 ppm2 1.162
ASSI { 1626}
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.900 1.700 1.700 peak 1626 weight 0.10000E+01 volume 0.14749E+01 ppm1 0.435 ppm2 0.621
OR { 1626}
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
ASSI { 1642}
(( segid PTB and resid 136 and name HA ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.800 1.600 1.600 peak 1642 weight 0.10000E+01 volume 0.15613E+01 ppm1 4.112 ppm2 0.915
ASSI { 1645}
(( segid PTB and resid 112 and name HB2 ))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
3.000 1.800 1.800 peak 1645 weight 0.10000E+01 volume 0.12251E+01 ppm1 3.971 ppm2 0.928
ASSI { 1648}
(( segid PTB and resid 87 and name HB1 ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
2.800 1.600 1.600 peak 1648 weight 0.10000E+01 volume 0.16597E+01 ppm1 2.903 ppm2 1.179
ASSI { 1662}
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
2.600 1.400 1.400 peak 1662 weight 0.10000E+01 volume 0.29151E+01 ppm1 0.430 ppm2 0.922
OR { 1662}
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
ASSI { 1688}
(( segid PTB and resid 132 and name HA ))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
3.100 1.900 1.900 peak 1688 weight 0.10000E+01 volume 0.90000E+00 ppm1 4.482 ppm2 1.053
ASSI { 1716}
(( segid PTB and resid 140 and name HB ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
2.300 1.100 1.100 peak 1716 weight 0.10000E+01 volume 0.56610E+01 ppm1 1.572 ppm2 0.604
ASSI { 1727}
(( segid PTB and resid 130 and name HG21)
OR
( segid PTB and resid 130 and name HG23)
OR
( segid PTB and resid 130 and name HG22))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
2.200 1.000 1.000 peak 1727 weight 0.10000E+01 volume 0.78118E+01 ppm1 0.886 ppm2 0.602
ASSI { 1730}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 117 and name HG11)
OR
( segid PTB and resid 117 and name HG13)
OR
( segid PTB and resid 117 and name HG12))
2.500 1.300 1.300 peak 1730 weight 0.10000E+01 volume 0.30245E+01 ppm1 0.634 ppm2 1.055
ASSI { 1734}
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.900 1.700 1.700 peak 1734 weight 0.10000E+01 volume 0.15107E+01 ppm1 0.301 ppm2 0.814
ASSI { 1760}
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.000 0.800 0.800 peak 1760 weight 0.10000E+01 volume 0.12138E+02 ppm1 0.699 ppm2 0.826
ASSI { 1771}
(( segid PTB and resid 175 and name HB2 ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
2.900 1.700 1.700 peak 1771 weight 0.10000E+01 volume 0.13119E+01 ppm1 2.586 ppm2 0.590
ASSI { 1772}
(( segid PTB and resid 174 and name HB2 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.700 1.500 1.500 peak 1772 weight 0.10000E+01 volume 0.19163E+01 ppm1 2.513 ppm2 0.814
OR { 1772}
(( segid PTB and resid 174 and name HB1 ))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
ASSI { 1780}
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
(( segid PTB and resid 140 and name HG11)
OR
( segid PTB and resid 140 and name HG13)
OR
( segid PTB and resid 140 and name HG12))
2.900 1.700 1.700 peak 1780 weight 0.10000E+01 volume 0.12614E+01 ppm1 1.182 ppm2 0.795
ASSI { 1782}
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
(( segid PTB and resid 101 and name HG11)
OR
( segid PTB and resid 101 and name HG13)
OR
( segid PTB and resid 101 and name HG12))
2.400 1.200 1.200 peak 1782 weight 0.10000E+01 volume 0.44145E+01 ppm1 1.004 ppm2 0.816
ASSI { 1811}
(( segid PTB and resid 138 and name HA ))
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
2.600 1.400 1.400 peak 1811 weight 0.10000E+01 volume 0.26307E+01 ppm1 4.548 ppm2 0.802
ASSI { 1860}
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.600 1.400 1.400 peak 1860 weight 0.10000E+01 volume 0.27846E+01 ppm1 1.793 ppm2 0.928
ASSI { 1877}
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
(( segid PTB and resid 91 and name HG21)
OR
( segid PTB and resid 91 and name HG23)
OR
( segid PTB and resid 91 and name HG22))
2.400 1.200 1.200 peak 1877 weight 0.10000E+01 volume 0.47665E+01 ppm1 0.418 ppm2 0.925
ASSI { 1913}
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.700 1.500 1.500 peak 1913 weight 0.10000E+01 volume 0.20559E+01 ppm1 0.286 ppm2 0.712
ASSI { 2019}
(( segid PTB and resid 79 and name HA ))
(( segid PTB and resid 124 and name HB2 ))
2.800 1.600 1.600 peak 2019 weight 0.10000E+01 volume 0.15581E+01 ppm1 4.163 ppm2 4.004
OR { 2019}
(( segid PTB and resid 79 and name HA ))
(( segid PTB and resid 124 and name HB1 ))
ASSI { 2083}
(( segid PTB and resid 198 and name HA ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.900 1.700 1.700 peak 2083 weight 0.10000E+01 volume 0.15128E+01 ppm1 4.132 ppm2 1.191
ASSI { 2097}
(( segid PTB and resid 180 and name HB2 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.700 2.700 1.800 peak 2097 weight 0.10000E+01 volume 0.19450E+01 ppm1 3.252 ppm2 1.621
ASSI { 2098}
(( segid PTB and resid 198 and name HB1 ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.500 1.300 1.300 peak 2098 weight 0.10000E+01 volume 0.36125E+01 ppm1 3.247 ppm2 1.178
OR { 2098}
(( segid PTB and resid 198 and name HB2 ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
ASSI { 2110}
(( segid PTB and resid 145 and name HG1 ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.900 1.700 1.700 peak 2110 weight 0.10000E+01 volume 0.12750E+01 ppm1 2.282 ppm2 1.183
OR { 2110}
(( segid PTB and resid 145 and name HG2 ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
ASSI { 2111}
(( segid PTB and resid 145 and name HB1 ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.800 1.600 1.600 peak 2111 weight 0.10000E+01 volume 0.18712E+01 ppm1 2.113 ppm2 1.189
ASSI { 2180}
(( segid PTB and resid 182 and name HB1 ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.800 1.600 1.600 peak 2180 weight 0.10000E+01 volume 0.18572E+01 ppm1 2.107 ppm2 1.614
ASSI { 2200}
(( segid PTB and resid 171 and name HD2 ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
2.800 1.600 1.600 peak 2200 weight 0.10000E+01 volume 0.18147E+01 ppm1 3.135 ppm2 0.694
OR { 2200}
(( segid PTB and resid 171 and name HD1 ))
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
ASSI { 2209}
(( segid PTB and resid 108 and name HB ))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.800 1.600 1.600 peak 2209 weight 0.10000E+01 volume 0.15306E+01 ppm1 2.285 ppm2 1.338
ASSI { 2216}
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.700 1.500 1.500 peak 2216 weight 0.10000E+01 volume 0.21107E+01 ppm1 1.094 ppm2 1.336
ASSI { 2223}
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
(( segid PTB and resid 105 and name HB1 )
OR
( segid PTB and resid 105 and name HB3 )
OR
( segid PTB and resid 105 and name HB2 ))
2.800 1.600 1.600 peak 2223 weight 0.10000E+01 volume 0.18698E+01 ppm1 0.480 ppm2 1.323
ASSI { 2243}
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
(( segid PTB and resid 76 and name HA ))
2.800 1.600 1.600 peak 2243 weight 0.10000E+01 volume 0.15417E+01 ppm1 1.365 ppm2 3.711
ASSI { 2257}
(( segid PTB and resid 175 and name HB2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.700 2.700 1.800 peak 2257 weight 0.10000E+01 volume 0.22635E+01 ppm1 2.594 ppm2 0.996
ASSI { 2258}
(( segid PTB and resid 174 and name HB2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.900 1.700 1.700 peak 2258 weight 0.10000E+01 volume 0.13177E+01 ppm1 2.519 ppm2 0.992
OR { 2258}
(( segid PTB and resid 174 and name HB1 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
ASSI { 2261}
(( segid PTB and resid 96 and name HB2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.800 1.600 1.600 peak 2261 weight 0.10000E+01 volume 0.16262E+01 ppm1 1.452 ppm2 0.988
ASSI { 2288}
(( segid PTB and resid 197 and name HB ))
(( segid PTB and resid 197 and name HA ))
2.400 1.200 1.200 peak 2288 weight 0.10000E+01 volume 0.38422E+01 ppm1 2.161 ppm2 3.649
ASSI { 2296}
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
1.800 0.600 0.600 peak 2296 weight 0.10000E+01 volume 0.20554E+02 ppm1 0.870 ppm2 0.987
ASSI { 2313}
(( segid PTB and resid 111 and name HG1 ))
(( segid PTB and resid 108 and name HA ))
2.800 1.600 1.600 peak 2313 weight 0.10000E+01 volume 0.17678E+01 ppm1 2.564 ppm2 3.645
ASSI { 2314}
(( segid PTB and resid 111 and name HG2 ))
(( segid PTB and resid 108 and name HA ))
2.800 1.600 1.600 peak 2314 weight 0.10000E+01 volume 0.17202E+01 ppm1 2.418 ppm2 3.652
ASSI { 2352}
(( segid PTB and resid 71 and name HA ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
1.800 0.600 0.600 peak 2352 weight 0.10000E+01 volume 0.22585E+02 ppm1 4.246 ppm2 1.509
ASSI { 2423}
(( segid PTB and resid 80 and name HG21)
OR
( segid PTB and resid 80 and name HG23)
OR
( segid PTB and resid 80 and name HG22))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
2.900 1.700 1.700 peak 2423 weight 0.10000E+01 volume 0.15004E+01 ppm1 1.094 ppm2 1.358
ASSI { 2424}
(( segid PTB and resid 197 and name HG11)
OR
( segid PTB and resid 197 and name HG13)
OR
( segid PTB and resid 197 and name HG12))
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
2.600 1.400 1.400 peak 2424 weight 0.10000E+01 volume 0.27233E+01 ppm1 1.025 ppm2 1.586
ASSI { 2425}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 75 and name HB1 )
OR
( segid PTB and resid 75 and name HB3 )
OR
( segid PTB and resid 75 and name HB2 ))
2.500 1.300 1.300 peak 2425 weight 0.10000E+01 volume 0.34115E+01 ppm1 1.007 ppm2 1.360
ASSI { 2426}
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
(( segid PTB and resid 82 and name HB1 ))
2.700 1.500 1.500 peak 2426 weight 0.10000E+01 volume 0.21101E+01 ppm1 0.846 ppm2 3.023
ASSI { 2457}
(( segid PTB and resid 104 and name HG2 ))
(( segid PTB and resid 101 and name HA ))
2.800 1.600 1.600 peak 2457 weight 0.10000E+01 volume 0.18411E+01 ppm1 2.441 ppm2 3.628
ASSI { 2464}
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
(( segid PTB and resid 82 and name HB2 ))
2.800 1.600 1.600 peak 2464 weight 0.10000E+01 volume 0.17715E+01 ppm1 0.849 ppm2 3.416
ASSI { 2512}
(( segid PTB and resid 154 and name HA ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.700 1.500 1.500 peak 2512 weight 0.10000E+01 volume 0.20442E+01 ppm1 4.114 ppm2 2.219
ASSI { 2513}
(( segid PTB and resid 99 and name HA ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.800 1.600 1.600 peak 2513 weight 0.10000E+01 volume 0.17183E+01 ppm1 4.042 ppm2 2.211
ASSI { 2567}
(( segid PTB and resid 103 and name HA ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.800 1.600 1.600 peak 2567 weight 0.10000E+01 volume 0.18405E+01 ppm1 3.829 ppm2 2.210
ASSI { 2585}
(( segid PTB and resid 103 and name HB2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.800 1.600 1.600 peak 2585 weight 0.10000E+01 volume 0.15835E+01 ppm1 1.926 ppm2 2.228
OR { 2585}
(( segid PTB and resid 103 and name HB1 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
ASSI { 2588}
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
(( segid PTB and resid 99 and name HE1 )
OR
( segid PTB and resid 99 and name HE3 )
OR
( segid PTB and resid 99 and name HE2 ))
2.400 1.200 1.200 peak 2588 weight 0.10000E+01 volume 0.48329E+01 ppm1 1.569 ppm2 2.214
ASSI { 2605}
(( segid PTB and resid 80 and name HA ))
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
2.800 1.600 1.600 peak 2605 weight 0.10000E+01 volume 0.16925E+01 ppm1 4.563 ppm2 1.540
ASSI { 2618}
(( segid PTB and resid 91 and name HB ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
3.000 1.800 1.800 peak 2618 weight 0.10000E+01 volume 0.12341E+01 ppm1 1.956 ppm2 1.783
ASSI { 2621}
(( segid PTB and resid 92 and name HB1 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.200 1.000 1.000 peak 2621 weight 0.10000E+01 volume 0.66047E+01 ppm1 1.725 ppm2 1.787
OR { 2621}
(( segid PTB and resid 92 and name HB2 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
ASSI { 2623}
(( segid PTB and resid 173 and name HB2 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.300 1.100 1.100 peak 2623 weight 0.10000E+01 volume 0.49593E+01 ppm1 1.651 ppm2 1.783
ASSI { 2626}
(( segid PTB and resid 171 and name HG1 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.400 1.200 1.200 peak 2626 weight 0.10000E+01 volume 0.46104E+01 ppm1 1.414 ppm2 1.781
OR { 2626}
(( segid PTB and resid 171 and name HG2 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
ASSI { 2667}
(( segid PTB and resid 170 and name HB2 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.800 1.600 1.600 peak 2667 weight 0.10000E+01 volume 0.15419E+01 ppm1 1.885 ppm2 1.769
OR { 2667}
(( segid PTB and resid 170 and name HB1 ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
ASSI { 2702}
(( segid PTB and resid 167 and name HA1 ))
(( segid PTB and resid 168 and name HA ))
2.900 1.700 1.700 peak 2702 weight 0.10000E+01 volume 0.13001E+01 ppm1 3.858 ppm2 4.255
ASSI { 2718}
(( segid PTB and resid 112 and name HA ))
(( segid PTB and resid 112 and name HB2 ))
2.000 0.800 0.800 peak 2718 weight 0.10000E+01 volume 0.12079E+02 ppm1 4.319 ppm2 3.988
ASSI { 2721}
(( segid PTB and resid 112 and name HB1 ))
(( segid PTB and resid 112 and name HB2 ))
1.800 0.600 0.600 peak 2721 weight 0.10000E+01 volume 0.27892E+02 ppm1 4.041 ppm2 3.979
ASSI { 2815}
(( segid PTB and resid 77 and name HB2 ))
(( segid PTB and resid 78 and name HB1 ))
3.000 1.800 1.800 peak 2815 weight 0.10000E+01 volume 0.12020E+01 ppm1 1.874 ppm2 3.898
OR { 2815}
(( segid PTB and resid 77 and name HB2 ))
(( segid PTB and resid 78 and name HB2 ))
ASSI { 2908}
(( segid PTB and resid 164 and name HB2 ))
(( segid PTB and resid 147 and name HA ))
2.900 1.700 1.700 peak 2908 weight 0.10000E+01 volume 0.13669E+01 ppm1 3.077 ppm2 4.453
OR { 2908}
(( segid PTB and resid 164 and name HB1 ))
(( segid PTB and resid 147 and name HA ))
ASSI { 2937}
(( segid PTB and resid 180 and name HB2 ))
(( segid PTB and resid 84 and name HB2 ))
2.700 1.500 1.500 peak 2937 weight 0.10000E+01 volume 0.19877E+01 ppm1 3.216 ppm2 3.984
OR { 2937}
(( segid PTB and resid 180 and name HB2 ))
(( segid PTB and resid 84 and name HB1 ))
ASSI { 2942}
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
(( segid PTB and resid 84 and name HB1 ))
2.900 1.700 1.700 peak 2942 weight 0.10000E+01 volume 0.13550E+01 ppm1 0.950 ppm2 3.981
OR { 2942}
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
(( segid PTB and resid 84 and name HB2 ))
OR { 2942}
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
(( segid PTB and resid 84 and name HB1 ))
OR { 2942}
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
(( segid PTB and resid 84 and name HB2 ))
ASSI { 2943}
(( segid PTB and resid 120 and name HG ))
(( segid PTB and resid 84 and name HB1 ))
2.900 1.700 1.700 peak 2943 weight 0.10000E+01 volume 0.14641E+01 ppm1 0.853 ppm2 3.972
OR { 2943}
(( segid PTB and resid 120 and name HG ))
(( segid PTB and resid 84 and name HB2 ))
OR { 2943}
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
(( segid PTB and resid 84 and name HB1 ))
OR { 2943}
(( segid PTB and resid 120 and name HD11)
OR
( segid PTB and resid 120 and name HD13)
OR
( segid PTB and resid 120 and name HD12))
(( segid PTB and resid 84 and name HB2 ))
ASSI { 2963}
(( segid PTB and resid 195 and name HB1 ))
(( segid PTB and resid 193 and name HA ))
3.000 1.800 1.800 peak 2963 weight 0.10000E+01 volume 0.12309E+01 ppm1 3.317 ppm2 3.971
ASSI { 2998}
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
(( segid PTB and resid 116 and name HA ))
2.800 1.600 1.600 peak 2998 weight 0.10000E+01 volume 0.15612E+01 ppm1 1.162 ppm2 4.500
ASSI { 3015}
(( segid PTB and resid 145 and name HB2 ))
(( segid PTB and resid 198 and name HA ))
2.800 1.600 1.600 peak 3015 weight 0.10000E+01 volume 0.18817E+01 ppm1 2.059 ppm2 4.109
ASSI { 3018}
(( segid PTB and resid 197 and name HG21)
OR
( segid PTB and resid 197 and name HG23)
OR
( segid PTB and resid 197 and name HG22))
(( segid PTB and resid 198 and name HA ))
3.100 1.900 1.900 peak 3018 weight 0.10000E+01 volume 0.90000E+00 ppm1 1.033 ppm2 4.132
ASSI { 3032}
(( segid PTB and resid 199 and name HD11)
OR
( segid PTB and resid 199 and name HD13)
OR
( segid PTB and resid 199 and name HD12))
(( segid PTB and resid 198 and name HA ))
2.800 1.600 1.600 peak 3032 weight 0.10000E+01 volume 0.17337E+01 ppm1 0.933 ppm2 4.137
ASSI { 3040}
(( segid PTB and resid 143 and name HB ))
(( segid PTB and resid 143 and name HA ))
2.100 0.900 0.900 peak 3040 weight 0.10000E+01 volume 0.10499E+02 ppm1 4.407 ppm2 4.625
ASSI { 3047}
(( segid PTB and resid 140 and name HB ))
(( segid PTB and resid 140 and name HA ))
2.800 1.600 1.600 peak 3047 weight 0.10000E+01 volume 0.18921E+01 ppm1 1.558 ppm2 4.095
ASSI { 3072}
(( segid PTB and resid 127 and name HA2 ))
(( segid PTB and resid 143 and name HA ))
2.700 1.500 1.500 peak 3072 weight 0.10000E+01 volume 0.23101E+01 ppm1 4.507 ppm2 4.646
ASSI { 3075}
(( segid PTB and resid 139 and name HA ))
(( segid PTB and resid 140 and name HA ))
2.700 2.700 1.800 peak 3075 weight 0.10000E+01 volume 0.22402E+01 ppm1 4.257 ppm2 4.104
ASSI { 3077}
(( segid PTB and resid 127 and name HA1 ))
(( segid PTB and resid 143 and name HA ))
2.900 1.700 1.700 peak 3077 weight 0.10000E+01 volume 0.13067E+01 ppm1 4.022 ppm2 4.633
ASSI { 3080}
(( segid PTB and resid 149 and name HB2 ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
2.800 1.600 1.600 peak 3080 weight 0.10000E+01 volume 0.15681E+01 ppm1 2.586 ppm2 0.627
OR { 3080}
(( segid PTB and resid 149 and name HB1 ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
ASSI { 3082}
(( segid PTB and resid 160 and name HB2 ))
(( segid PTB and resid 152 and name HA ))
2.700 1.500 1.500 peak 3082 weight 0.10000E+01 volume 0.21965E+01 ppm1 2.361 ppm2 5.219
ASSI { 3083}
(( segid PTB and resid 101 and name HB ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
2.900 1.700 1.700 peak 3083 weight 0.10000E+01 volume 0.14665E+01 ppm1 1.975 ppm2 0.614
ASSI { 3088}
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
(( segid PTB and resid 135 and name HA ))
1.800 0.600 0.600 peak 3088 weight 0.10000E+01 volume 0.21042E+02 ppm1 1.253 ppm2 4.381
ASSI { 3117}
(( segid PTB and resid 144 and name HG12))
(( segid PTB and resid 144 and name HA ))
2.800 1.600 1.600 peak 3117 weight 0.10000E+01 volume 0.18891E+01 ppm1 1.394 ppm2 3.938
ASSI { 3217}
(( segid PTB and resid 132 and name HB1 ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
2.800 1.600 1.600 peak 3217 weight 0.10000E+01 volume 0.17515E+01 ppm1 2.983 ppm2 0.874
ASSI { 3242}
(( segid PTB and resid 132 and name HA ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
2.700 1.500 1.500 peak 3242 weight 0.10000E+01 volume 0.23477E+01 ppm1 4.489 ppm2 0.868
ASSI { 3253}
(( segid PTB and resid 130 and name HB ))
(( segid PTB and resid 130 and name HA ))
2.900 1.700 1.700 peak 3253 weight 0.10000E+01 volume 0.14478E+01 ppm1 1.736 ppm2 5.355
ASSI { 3261}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
2.300 1.100 1.100 peak 3261 weight 0.10000E+01 volume 0.53647E+01 ppm1 0.634 ppm2 0.870
ASSI { 3303}
(( segid PTB and resid 99 and name HG2 ))
(( segid PTB and resid 99 and name HA ))
2.800 1.600 1.600 peak 3303 weight 0.10000E+01 volume 0.16025E+01 ppm1 2.878 ppm2 4.041
ASSI { 3322}
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
(( segid PTB and resid 99 and name HA ))
2.700 1.500 1.500 peak 3322 weight 0.10000E+01 volume 0.19988E+01 ppm1 1.560 ppm2 4.043
ASSI { 3393}
(( segid PTB and resid 139 and name HG11))
(( segid PTB and resid 131 and name HA ))
2.900 1.700 1.700 peak 3393 weight 0.10000E+01 volume 0.14002E+01 ppm1 1.327 ppm2 4.872
ASSI { 3423}
(( segid PTB and resid 103 and name HB2 ))
(( segid PTB and resid 103 and name HA ))
2.700 1.500 1.500 peak 3423 weight 0.10000E+01 volume 0.22576E+01 ppm1 2.014 ppm2 3.913
OR { 3423}
(( segid PTB and resid 103 and name HB1 ))
(( segid PTB and resid 103 and name HA ))
ASSI { 3425}
(( segid PTB and resid 106 and name HB1 ))
(( segid PTB and resid 103 and name HA ))
2.800 1.600 1.600 peak 3425 weight 0.10000E+01 volume 0.18150E+01 ppm1 1.776 ppm2 3.880
ASSI { 3426}
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
(( segid PTB and resid 186 and name HA ))
2.900 1.700 1.700 peak 3426 weight 0.10000E+01 volume 0.12753E+01 ppm1 1.454 ppm2 2.982
ASSI { 3441}
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
(( segid PTB and resid 103 and name HA ))
2.700 1.500 1.500 peak 3441 weight 0.10000E+01 volume 0.22237E+01 ppm1 0.870 ppm2 3.878
OR { 3441}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 103 and name HA ))
ASSI { 3459}
(( segid PTB and resid 189 and name HB1 ))
(( segid PTB and resid 189 and name HA ))
2.900 1.700 1.700 peak 3459 weight 0.10000E+01 volume 0.14189E+01 ppm1 3.307 ppm2 4.062
ASSI { 3461}
(( segid PTB and resid 189 and name HB2 ))
(( segid PTB and resid 189 and name HA ))
2.900 1.700 1.700 peak 3461 weight 0.10000E+01 volume 0.14014E+01 ppm1 2.659 ppm2 4.095
ASSI { 3471}
(( segid PTB and resid 187 and name HD11)
OR
( segid PTB and resid 187 and name HD13)
OR
( segid PTB and resid 187 and name HD12))
(( segid PTB and resid 187 and name HA ))
2.600 1.400 1.400 peak 3471 weight 0.10000E+01 volume 0.29394E+01 ppm1 -0.081 ppm2 2.708
ASSI { 3495}
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
(( segid PTB and resid 91 and name HA ))
2.900 1.700 1.700 peak 3495 weight 0.10000E+01 volume 0.13034E+01 ppm1 0.416 ppm2 4.424
ASSI { 3510}
(( segid PTB and resid 133 and name HA ))
(( segid PTB and resid 134 and name HA ))
2.700 2.700 1.800 peak 3510 weight 0.10000E+01 volume 0.20343E+01 ppm1 4.497 ppm2 4.285
ASSI { 3521}
(( segid PTB and resid 69 and name HB2 ))
(( segid PTB and resid 70 and name HA ))
2.900 1.700 1.700 peak 3521 weight 0.10000E+01 volume 0.13087E+01 ppm1 3.223 ppm2 4.168
ASSI { 3524}
(( segid PTB and resid 107 and name HE2 ))
(( segid PTB and resid 104 and name HA ))
2.900 1.700 1.700 peak 3524 weight 0.10000E+01 volume 0.14716E+01 ppm1 2.924 ppm2 4.034
OR { 3524}
(( segid PTB and resid 107 and name HE1 ))
(( segid PTB and resid 104 and name HA ))
ASSI { 3525}
(( segid PTB and resid 200 and name HG2 ))
(( segid PTB and resid 200 and name HA ))
2.500 1.300 1.300 peak 3525 weight 0.10000E+01 volume 0.32356E+01 ppm1 2.528 ppm2 4.103
OR { 3525}
(( segid PTB and resid 200 and name HG1 ))
(( segid PTB and resid 200 and name HA ))
ASSI { 3527}
(( segid PTB and resid 74 and name HG1 ))
(( segid PTB and resid 74 and name HA ))
2.300 1.100 1.100 peak 3527 weight 0.10000E+01 volume 0.57215E+01 ppm1 2.305 ppm2 4.014
ASSI { 3540}
(( segid PTB and resid 120 and name HG ))
(( segid PTB and resid 84 and name HA ))
2.800 1.600 1.600 peak 3540 weight 0.10000E+01 volume 0.16912E+01 ppm1 0.848 ppm2 4.962
ASSI { 3552}
(( segid PTB and resid 133 and name HB1 ))
(( segid PTB and resid 134 and name HA ))
2.900 1.700 1.700 peak 3552 weight 0.10000E+01 volume 0.13209E+01 ppm1 2.590 ppm2 4.239
OR { 3552}
(( segid PTB and resid 133 and name HB2 ))
(( segid PTB and resid 134 and name HA ))
ASSI { 3561}
(( segid PTB and resid 108 and name HG21)
OR
( segid PTB and resid 108 and name HG23)
OR
( segid PTB and resid 108 and name HG22))
(( segid PTB and resid 104 and name HA ))
2.800 1.600 1.600 peak 3561 weight 0.10000E+01 volume 0.15812E+01 ppm1 1.075 ppm2 4.069
ASSI { 3575}
(( segid PTB and resid 204 and name HD2 ))
(( segid PTB and resid 202 and name HA ))
2.900 1.700 1.700 peak 3575 weight 0.10000E+01 volume 0.12800E+01 ppm1 3.245 ppm2 4.150
OR { 3575}
(( segid PTB and resid 204 and name HD1 ))
(( segid PTB and resid 202 and name HA ))
ASSI { 3641}
(( segid PTB and resid 154 and name HD1 ))
(( segid PTB and resid 154 and name HA ))
2.900 1.700 1.700 peak 3641 weight 0.10000E+01 volume 0.13436E+01 ppm1 3.144 ppm2 4.141
ASSI { 3642}
(( segid PTB and resid 81 and name HB1 ))
(( segid PTB and resid 81 and name HA ))
2.700 1.500 1.500 peak 3642 weight 0.10000E+01 volume 0.21399E+01 ppm1 3.088 ppm2 4.238
ASSI { 3646}
(( segid PTB and resid 77 and name HB2 ))
(( segid PTB and resid 78 and name HA ))
2.600 1.400 1.400 peak 3646 weight 0.10000E+01 volume 0.27555E+01 ppm1 1.886 ppm2 4.509
ASSI { 3689}
(( segid PTB and resid 106 and name HG ))
(( segid PTB and resid 106 and name HA ))
2.600 1.400 1.400 peak 3689 weight 0.10000E+01 volume 0.27392E+01 ppm1 1.573 ppm2 3.796
ASSI { 3690}
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
(( segid PTB and resid 78 and name HA ))
2.900 1.700 1.700 peak 3690 weight 0.10000E+01 volume 0.14208E+01 ppm1 1.547 ppm2 4.500
ASSI { 3694}
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
(( segid PTB and resid 94 and name HA ))
2.900 1.700 1.700 peak 3694 weight 0.10000E+01 volume 0.14165E+01 ppm1 0.699 ppm2 4.867
ASSI { 3713}
(( segid PTB and resid 94 and name HB1 ))
(( segid PTB and resid 94 and name HA ))
2.700 1.500 1.500 peak 3713 weight 0.10000E+01 volume 0.21963E+01 ppm1 2.722 ppm2 4.890
ASSI { 3754}
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
(( segid PTB and resid 96 and name HA ))
2.900 1.700 1.700 peak 3754 weight 0.10000E+01 volume 0.12885E+01 ppm1 0.607 ppm2 2.996
ASSI { 3773}
(( segid PTB and resid 69 and name HB2 ))
(( segid PTB and resid 69 and name HA ))
2.700 1.500 1.500 peak 3773 weight 0.10000E+01 volume 0.22387E+01 ppm1 3.218 ppm2 4.754
ASSI { 3784}
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
(( segid PTB and resid 109 and name HA ))
3.000 1.800 1.800 peak 3784 weight 0.10000E+01 volume 0.12134E+01 ppm1 0.967 ppm2 3.872
ASSI { 3810}
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
(( segid PTB and resid 161 and name HA ))
2.900 1.700 1.700 peak 3810 weight 0.10000E+01 volume 0.14713E+01 ppm1 0.861 ppm2 5.364
OR { 3810}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 161 and name HA ))
ASSI { 3826}
(( segid PTB and resid 160 and name HB1 ))
(( segid PTB and resid 160 and name HA ))
3.000 1.800 1.800 peak 3826 weight 0.10000E+01 volume 0.12333E+01 ppm1 3.467 ppm2 5.149
ASSI { 3827}
(( segid PTB and resid 204 and name HD2 ))
(( segid PTB and resid 204 and name HA ))
2.900 1.700 1.700 peak 3827 weight 0.10000E+01 volume 0.12480E+01 ppm1 3.265 ppm2 4.242
OR { 3827}
(( segid PTB and resid 204 and name HD1 ))
(( segid PTB and resid 204 and name HA ))
ASSI { 3866}
(( segid PTB and resid 92 and name HB2 ))
(( segid PTB and resid 92 and name HA ))
2.800 1.600 1.600 peak 3866 weight 0.10000E+01 volume 0.17309E+01 ppm1 1.719 ppm2 5.034
OR { 3866}
(( segid PTB and resid 92 and name HB1 ))
(( segid PTB and resid 92 and name HA ))
ASSI { 3869}
(( segid PTB and resid 136 and name HD2 ))
(( segid PTB and resid 133 and name HA ))
2.700 1.500 1.500 peak 3869 weight 0.10000E+01 volume 0.22617E+01 ppm1 1.701 ppm2 4.500
ASSI { 3874}
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
(( segid PTB and resid 133 and name HA ))
2.900 1.700 1.700 peak 3874 weight 0.10000E+01 volume 0.14187E+01 ppm1 0.800 ppm2 4.504
ASSI { 3893}
(( segid PTB and resid 67 and name HB1 ))
(( segid PTB and resid 67 and name HA ))
2.200 1.000 1.000 peak 3893 weight 0.10000E+01 volume 0.75755E+01 ppm1 3.029 ppm2 4.397
ASSI { 3898}
(( segid PTB and resid 70 and name HB2 ))
(( segid PTB and resid 67 and name HA ))
2.900 1.700 1.700 peak 3898 weight 0.10000E+01 volume 0.13372E+01 ppm1 2.108 ppm2 4.400
ASSI { 3926}
(( segid PTB and resid 76 and name HA ))
(( segid PTB and resid 124 and name HA ))
2.700 1.500 1.500 peak 3926 weight 0.10000E+01 volume 0.22798E+01 ppm1 3.717 ppm2 5.186
ASSI { 3933}
(( segid PTB and resid 83 and name HB1 ))
(( segid PTB and resid 82 and name HA ))
3.000 1.800 1.800 peak 3933 weight 0.10000E+01 volume 0.12368E+01 ppm1 2.934 ppm2 5.452
ASSI { 3941}
(( segid PTB and resid 79 and name HB1 )
OR
( segid PTB and resid 79 and name HB3 )
OR
( segid PTB and resid 79 and name HB2 ))
(( segid PTB and resid 124 and name HA ))
2.700 1.500 1.500 peak 3941 weight 0.10000E+01 volume 0.21315E+01 ppm1 1.553 ppm2 5.183
ASSI { 3945}
(( segid PTB and resid 123 and name HG11)
OR
( segid PTB and resid 123 and name HG13)
OR
( segid PTB and resid 123 and name HG12))
(( segid PTB and resid 124 and name HA ))
2.400 1.200 1.200 peak 3945 weight 0.10000E+01 volume 0.43634E+01 ppm1 0.587 ppm2 5.184
ASSI { 3985}
(( segid PTB and resid 91 and name HA ))
(( segid PTB and resid 92 and name HA ))
2.800 1.600 1.600 peak 3985 weight 0.10000E+01 volume 0.18920E+01 ppm1 4.354 ppm2 5.065
ASSI { 4010}
(( segid PTB and resid 158 and name HD1 ))
(( segid PTB and resid 183 and name HA ))
2.800 1.600 1.600 peak 4010 weight 0.10000E+01 volume 0.17344E+01 ppm1 3.195 ppm2 4.597
OR { 4010}
(( segid PTB and resid 158 and name HD2 ))
(( segid PTB and resid 183 and name HA ))
ASSI { 4051}
(( segid PTB and resid 93 and name HG21)
OR
( segid PTB and resid 93 and name HG23)
OR
( segid PTB and resid 93 and name HG22))
(( segid PTB and resid 174 and name HA ))
3.000 1.800 1.800 peak 4051 weight 0.10000E+01 volume 0.12122E+01 ppm1 0.635 ppm2 5.555
ASSI { 4096}
(( segid PTB and resid 113 and name HG1 ))
(( segid PTB and resid 113 and name HA ))
2.200 2.200 2.300 peak 4096 weight 0.10000E+01 volume 0.68817E+01 ppm1 1.696 ppm2 4.279
OR { 4096}
(( segid PTB and resid 113 and name HG2 ))
(( segid PTB and resid 113 and name HA ))
ASSI { 4127}
(( segid PTB and resid 181 and name HD1 ))
(( segid PTB and resid 181 and name HA ))
2.600 1.400 1.400 peak 4127 weight 0.10000E+01 volume 0.27700E+01 ppm1 1.764 ppm2 4.593
OR { 4127}
(( segid PTB and resid 181 and name HD2 ))
(( segid PTB and resid 181 and name HA ))
ASSI { 4163}
(( segid PTB and resid 115 and name HA ))
(( segid PTB and resid 114 and name HA ))
2.900 1.700 1.700 peak 4163 weight 0.10000E+01 volume 0.13069E+01 ppm1 4.505 ppm2 4.229
ASSI { 4164}
(( segid PTB and resid 157 and name HA ))
(( segid PTB and resid 158 and name HA ))
3.100 1.900 1.900 peak 4164 weight 0.10000E+01 volume 0.90000E+00 ppm1 4.449 ppm2 4.699
ASSI { 4168}
(( segid PTB and resid 114 and name HD2 ))
(( segid PTB and resid 114 and name HA ))
2.600 1.400 1.400 peak 4168 weight 0.10000E+01 volume 0.24746E+01 ppm1 3.174 ppm2 4.236
OR { 4168}
(( segid PTB and resid 114 and name HD1 ))
(( segid PTB and resid 114 and name HA ))
ASSI { 4172}
(( segid PTB and resid 111 and name HG1 ))
(( segid PTB and resid 111 and name HA ))
2.500 1.300 1.300 peak 4172 weight 0.10000E+01 volume 0.32000E+01 ppm1 2.573 ppm2 4.378
ASSI { 4174}
(( segid PTB and resid 83 and name HB2 ))
(( segid PTB and resid 83 and name HA ))
2.800 1.600 1.600 peak 4174 weight 0.10000E+01 volume 0.18278E+01 ppm1 2.350 ppm2 5.028
ASSI { 4182}
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
(( segid PTB and resid 158 and name HA ))
2.900 1.700 1.700 peak 4182 weight 0.10000E+01 volume 0.15198E+01 ppm1 1.611 ppm2 4.740
ASSI { 4204}
(( segid PTB and resid 125 and name HA2 ))
(( segid PTB and resid 194 and name HA ))
2.900 1.700 1.700 peak 4204 weight 0.10000E+01 volume 0.14019E+01 ppm1 4.011 ppm2 3.603
ASSI { 4215}
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
(( segid PTB and resid 86 and name HA ))
2.900 1.700 1.700 peak 4215 weight 0.10000E+01 volume 0.13808E+01 ppm1 0.949 ppm2 5.030
OR { 4215}
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
(( segid PTB and resid 86 and name HA ))
ASSI { 4216}
(( segid PTB and resid 144 and name HD11)
OR
( segid PTB and resid 144 and name HD13)
OR
( segid PTB and resid 144 and name HD12))
(( segid PTB and resid 194 and name HA ))
2.900 1.700 1.700 peak 4216 weight 0.10000E+01 volume 0.14257E+01 ppm1 0.884 ppm2 3.580
ASSI { 4251}
(( segid PTB and resid 118 and name HD2 ))
(( segid PTB and resid 118 and name HA ))
2.800 1.600 1.600 peak 4251 weight 0.10000E+01 volume 0.16294E+01 ppm1 3.291 ppm2 4.988
OR { 4251}
(( segid PTB and resid 118 and name HD1 ))
(( segid PTB and resid 118 and name HA ))
ASSI { 4254}
(( segid PTB and resid 69 and name HB2 ))
(( segid PTB and resid 65 and name HA ))
2.900 1.700 1.700 peak 4254 weight 0.10000E+01 volume 0.15275E+01 ppm1 3.206 ppm2 4.390
ASSI { 4271}
(( segid PTB and resid 171 and name HG1 ))
(( segid PTB and resid 171 and name HA ))
2.700 1.500 1.500 peak 4271 weight 0.10000E+01 volume 0.20164E+01 ppm1 1.478 ppm2 4.300
OR { 4271}
(( segid PTB and resid 171 and name HG2 ))
(( segid PTB and resid 171 and name HA ))
ASSI { 4289}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 90 and name HB1 ))
3.000 1.800 1.800 peak 4289 weight 0.10000E+01 volume 0.12009E+01 ppm1 8.382 ppm2 1.599
OR { 4289}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 90 and name HB2 ))
ASSI { 4306}
(( segid PTB and resid 129 and name HA ))
(( segid PTB and resid 129 and name HG2 ))
2.800 1.600 1.600 peak 4306 weight 0.10000E+01 volume 0.16707E+01 ppm1 5.342 ppm2 1.646
OR { 4306}
(( segid PTB and resid 129 and name HA ))
(( segid PTB and resid 129 and name HG1 ))
ASSI { 4346}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 88 and name HD11)
OR
( segid PTB and resid 88 and name HD13)
OR
( segid PTB and resid 88 and name HD12))
2.800 1.600 1.600 peak 4346 weight 0.10000E+01 volume 0.16481E+01 ppm1 8.377 ppm2 0.575
ASSI { 4352}
(( segid PTB and resid 90 and name HA ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
2.900 1.700 1.700 peak 4352 weight 0.10000E+01 volume 0.15209E+01 ppm1 5.775 ppm2 0.495
ASSI { 4355}
(( segid PTB and resid 177 and name HN ))
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
2.800 1.600 1.600 peak 4355 weight 0.10000E+01 volume 0.16127E+01 ppm1 9.181 ppm2 0.856
ASSI { 4358}
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
(( segid PTB and resid 187 and name HD21)
OR
( segid PTB and resid 187 and name HD23)
OR
( segid PTB and resid 187 and name HD22))
2.900 1.700 1.700 peak 4358 weight 0.10000E+01 volume 0.13300E+01 ppm1 7.366 ppm2 0.134
ASSI { 4364}
(( segid PTB and resid 128 and name HA ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
2.800 1.600 1.600 peak 4364 weight 0.10000E+01 volume 0.15766E+01 ppm1 5.321 ppm2 0.300
ASSI { 4385}
(( segid PTB and resid 130 and name HN ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.600 1.400 1.400 peak 4385 weight 0.10000E+01 volume 0.24951E+01 ppm1 8.880 ppm2 0.862
ASSI { 4386}
(( segid PTB and resid 129 and name HA ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.700 1.500 1.500 peak 4386 weight 0.10000E+01 volume 0.21704E+01 ppm1 5.336 ppm2 0.853
ASSI { 4387}
(( segid PTB and resid 141 and name HA ))
(( segid PTB and resid 138 and name HD11)
OR
( segid PTB and resid 138 and name HD13)
OR
( segid PTB and resid 138 and name HD12))
2.400 1.200 1.200 peak 4387 weight 0.10000E+01 volume 0.48180E+01 ppm1 4.935 ppm2 0.859
ASSI { 4412}
(( segid PTB and resid 191 and name HN ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
2.600 1.400 1.400 peak 4412 weight 0.10000E+01 volume 0.27883E+01 ppm1 7.753 ppm2 0.708
ASSI { 4413}
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
(( segid PTB and resid 191 and name HG21)
OR
( segid PTB and resid 191 and name HG23)
OR
( segid PTB and resid 191 and name HG22))
2.900 1.700 1.700 peak 4413 weight 0.10000E+01 volume 0.12554E+01 ppm1 7.062 ppm2 0.708
ASSI { 4427}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 178 and name HD21)
OR
( segid PTB and resid 178 and name HD23)
OR
( segid PTB and resid 178 and name HD22))
2.900 1.700 1.700 peak 4427 weight 0.10000E+01 volume 0.12467E+01 ppm1 8.927 ppm2 0.583
ASSI { 4430}
(( segid PTB and resid 91 and name HN ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.800 1.600 1.600 peak 4430 weight 0.10000E+01 volume 0.15900E+01 ppm1 8.378 ppm2 0.426
ASSI { 4431}
(( segid PTB and resid 90 and name HA ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
2.900 1.700 1.700 peak 4431 weight 0.10000E+01 volume 0.12599E+01 ppm1 5.775 ppm2 0.421
ASSI { 4441}
(( segid PTB and resid 87 and name HA ))
(( segid PTB and resid 85 and name HG11)
OR
( segid PTB and resid 85 and name HG13)
OR
( segid PTB and resid 85 and name HG12))
2.900 1.700 1.700 peak 4441 weight 0.10000E+01 volume 0.13802E+01 ppm1 4.770 ppm2 0.953
ASSI { 4450}
(( segid PTB and resid 95 and name HN ))
(( segid PTB and resid 101 and name HG21)
OR
( segid PTB and resid 101 and name HG23)
OR
( segid PTB and resid 101 and name HG22))
2.700 1.500 1.500 peak 4450 weight 0.10000E+01 volume 0.21273E+01 ppm1 7.214 ppm2 0.895
ASSI { 4460}
(( segid PTB and resid 88 and name HN ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.700 1.500 1.500 peak 4460 weight 0.10000E+01 volume 0.22153E+01 ppm1 8.361 ppm2 0.632
ASSI { 4469}
(( segid PTB and resid 175 and name HE1 ))
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
2.900 1.700 1.700 peak 4469 weight 0.10000E+01 volume 0.12622E+01 ppm1 6.630 ppm2 1.155
ASSI { 4475}
(( segid PTB and resid 178 and name HN ))
(( segid PTB and resid 88 and name HD21)
OR
( segid PTB and resid 88 and name HD23)
OR
( segid PTB and resid 88 and name HD22))
2.900 1.700 1.700 peak 4475 weight 0.10000E+01 volume 0.13849E+01 ppm1 8.892 ppm2 0.597
ASSI { 4478}
(( segid PTB and resid 87 and name HD1 )
OR
( segid PTB and resid 87 and name HD2 ))
(( segid PTB and resid 117 and name HG21)
OR
( segid PTB and resid 117 and name HG23)
OR
( segid PTB and resid 117 and name HG22))
2.700 1.500 1.500 peak 4478 weight 0.10000E+01 volume 0.19618E+01 ppm1 6.482 ppm2 1.156
ASSI { 4479}
(( segid PTB and resid 131 and name HA ))
(( segid PTB and resid 131 and name HG21)
OR
( segid PTB and resid 131 and name HG23)
OR
( segid PTB and resid 131 and name HG22))
2.300 1.100 1.100 peak 4479 weight 0.10000E+01 volume 0.59989E+01 ppm1 4.868 ppm2 0.904
ASSI { 4487}
(( segid PTB and resid 87 and name HE1 )
OR
( segid PTB and resid 87 and name HE2 ))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
2.500 1.300 1.300 peak 4487 weight 0.10000E+01 volume 0.32286E+01 ppm1 6.628 ppm2 0.601
ASSI { 4497}
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
2.800 1.600 1.600 peak 4497 weight 0.10000E+01 volume 0.16202E+01 ppm1 7.368 ppm2 0.634
ASSI { 4511}
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.600 1.400 1.400 peak 4511 weight 0.10000E+01 volume 0.24044E+01 ppm1 6.958 ppm2 0.702
OR { 4511}
(( segid PTB and resid 83 and name HE1 )
OR
( segid PTB and resid 83 and name HE2 ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
ASSI { 4539}
(( segid PTB and resid 195 and name HD1 )
OR
( segid PTB and resid 195 and name HD2 ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
2.600 1.400 1.400 peak 4539 weight 0.10000E+01 volume 0.23794E+01 ppm1 7.050 ppm2 1.190
OR { 4539}
(( segid PTB and resid 195 and name HE1 )
OR
( segid PTB and resid 195 and name HE2 ))
(( segid PTB and resid 144 and name HG21)
OR
( segid PTB and resid 144 and name HG23)
OR
( segid PTB and resid 144 and name HG22))
ASSI { 4540}
(( segid PTB and resid 85 and name HA ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
2.900 1.700 1.700 peak 4540 weight 0.10000E+01 volume 0.13732E+01 ppm1 5.450 ppm2 1.614
ASSI { 4541}
(( segid PTB and resid 182 and name HA ))
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
3.000 1.800 1.800 peak 4541 weight 0.10000E+01 volume 0.12240E+01 ppm1 4.996 ppm2 1.623
ASSI { 4561}
(( segid PTB and resid 174 and name HA ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.800 1.600 1.600 peak 4561 weight 0.10000E+01 volume 0.17422E+01 ppm1 5.533 ppm2 0.993
ASSI { 4566}
(( segid PTB and resid 175 and name HD2 ))
(( segid PTB and resid 163 and name HG21)
OR
( segid PTB and resid 163 and name HG23)
OR
( segid PTB and resid 163 and name HG22))
2.400 1.200 1.200 peak 4566 weight 0.10000E+01 volume 0.38211E+01 ppm1 6.633 ppm2 0.985
ASSI { 4567}
(( segid PTB and resid 87 and name HD1 )
OR
( segid PTB and resid 87 and name HD2 ))
(( segid PTB and resid 139 and name HG21)
OR
( segid PTB and resid 139 and name HG23)
OR
( segid PTB and resid 139 and name HG22))
2.700 1.500 1.500 peak 4567 weight 0.10000E+01 volume 0.20911E+01 ppm1 6.482 ppm2 0.989
ASSI { 4579}
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.400 1.200 1.200 peak 4579 weight 0.10000E+01 volume 0.48436E+01 ppm1 7.360 ppm2 0.952
ASSI { 4580}
(( segid PTB and resid 85 and name HA ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.700 1.500 1.500 peak 4580 weight 0.10000E+01 volume 0.21068E+01 ppm1 5.460 ppm2 0.951
ASSI { 4581}
(( segid PTB and resid 120 and name HA ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.900 1.700 1.700 peak 4581 weight 0.10000E+01 volume 0.12967E+01 ppm1 5.205 ppm2 0.933
ASSI { 4589}
(( segid PTB and resid 121 and name HA ))
(( segid PTB and resid 85 and name HG21)
OR
( segid PTB and resid 85 and name HG23)
OR
( segid PTB and resid 85 and name HG22))
2.800 1.600 1.600 peak 4589 weight 0.10000E+01 volume 0.15525E+01 ppm1 5.143 ppm2 0.957
ASSI { 4590}
(( segid PTB and resid 122 and name HA ))
(( segid PTB and resid 82 and name HB2 ))
2.700 1.500 1.500 peak 4590 weight 0.10000E+01 volume 0.20701E+01 ppm1 5.004 ppm2 3.415
ASSI { 4591}
(( segid PTB and resid 122 and name HA ))
(( segid PTB and resid 82 and name HB1 ))
2.900 1.700 1.700 peak 4591 weight 0.10000E+01 volume 0.14617E+01 ppm1 4.986 ppm2 3.020
ASSI { 4595}
(( segid PTB and resid 83 and name HE1 )
OR
( segid PTB and resid 83 and name HE2 ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
2.600 1.400 1.400 peak 4595 weight 0.10000E+01 volume 0.24554E+01 ppm1 6.975 ppm2 1.469
OR { 4595}
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
ASSI { 4604}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
2.800 1.600 1.600 peak 4604 weight 0.10000E+01 volume 0.17506E+01 ppm1 9.202 ppm2 1.784
ASSI { 4647}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 163 and name HD11)
OR
( segid PTB and resid 163 and name HD13)
OR
( segid PTB and resid 163 and name HD12))
2.800 1.600 1.600 peak 4647 weight 0.10000E+01 volume 0.15542E+01 ppm1 9.160 ppm2 0.626
ASSI { 4663}
(( segid PTB and resid 87 and name HE1 )
OR
( segid PTB and resid 87 and name HE2 ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
2.900 1.700 1.700 peak 4663 weight 0.10000E+01 volume 0.12754E+01 ppm1 6.618 ppm2 0.858
ASSI { 4859}
(( segid PTB and resid 166 and name HN ))
(( segid PTB and resid 169 and name HB ))
2.900 1.700 1.700 peak 4859 weight 0.10000E+01 volume 0.13430E+01 ppm1 8.748 ppm2 4.231
ASSI { 4986}
(( segid PTB and resid 161 and name HN ))
(( segid PTB and resid 152 and name HA ))
2.900 1.700 1.700 peak 4986 weight 0.10000E+01 volume 0.13603E+01 ppm1 7.679 ppm2 5.224
ASSI { 5040}
(( segid PTB and resid 94 and name HD1 )
OR
( segid PTB and resid 94 and name HD2 ))
(( segid PTB and resid 93 and name HA ))
2.700 1.500 1.500 peak 5040 weight 0.10000E+01 volume 0.20840E+01 ppm1 7.341 ppm2 4.451
OR { 5040}
(( segid PTB and resid 94 and name HE1 )
OR
( segid PTB and resid 94 and name HE2 ))
(( segid PTB and resid 93 and name HA ))
ASSI { 5071}
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
(( segid PTB and resid 161 and name HA ))
2.800 1.600 1.600 peak 5071 weight 0.10000E+01 volume 0.16794E+01 ppm1 7.345 ppm2 5.346
ASSI { 5097}
(( segid PTB and resid 156 and name HD2 ))
(( segid PTB and resid 156 and name HA ))
2.900 1.700 1.700 peak 5097 weight 0.10000E+01 volume 0.14596E+01 ppm1 7.063 ppm2 4.593
ASSI { 5127}
(( segid PTB and resid 173 and name HA ))
(( segid PTB and resid 92 and name HA ))
2.900 1.700 1.700 peak 5127 weight 0.10000E+01 volume 0.13427E+01 ppm1 5.303 ppm2 5.060
ASSI { 5132}
(( segid PTB and resid 106 and name HN ))
(( segid PTB and resid 103 and name HA ))
2.900 1.700 1.700 peak 5132 weight 0.10000E+01 volume 0.15023E+01 ppm1 8.544 ppm2 3.881
ASSI { 5133}
(( segid PTB and resid 190 and name HA ))
(( segid PTB and resid 193 and name HB1 ))
3.000 1.800 1.800 peak 5133 weight 0.10000E+01 volume 0.11025E+01 ppm1 3.560 ppm2 3.074
ASSI { 5135}
(( segid PTB and resid 193 and name HB2 ))
(( segid PTB and resid 190 and name HA ))
3.000 1.800 1.800 peak 5135 weight 0.10000E+01 volume 0.10235E+01 ppm1 2.562 ppm2 3.541
ASSI { 5136}
(( segid PTB and resid 198 and name HB2 ))
(( segid PTB and resid 195 and name HA ))
2.900 1.700 1.700 peak 5136 weight 0.10000E+01 volume 0.15065E+01 ppm1 3.244 ppm2 4.337
OR { 5136}
(( segid PTB and resid 198 and name HB1 ))
(( segid PTB and resid 195 and name HA ))
ASSI { 5145}
(( segid PTB and resid 102 and name HB2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
3.000 1.800 1.800 peak 5145 weight 0.10000E+01 volume 0.11133E+01 ppm1 2.995 ppm2 1.572
ASSI { 5153}
(( segid PTB and resid 136 and name HA ))
(( segid PTB and resid 133 and name HA ))
3.100 1.900 1.900 peak 5153 weight 0.10000E+01 volume 0.86580E+00 ppm1 4.116 ppm2 4.492
ASSI { 5190}
(( segid PTB and resid 128 and name HD21)
OR
( segid PTB and resid 128 and name HD23)
OR
( segid PTB and resid 128 and name HD22))
(( segid PTB and resid 144 and name HA ))
3.100 1.900 1.900 peak 5190 weight 0.10000E+01 volume 0.94210E+00 ppm1 0.791 ppm2 3.957
ASSI { 5193}
(( segid PTB and resid 127 and name HA2 ))
(( segid PTB and resid 144 and name HG12))
3.100 1.900 1.900 peak 5193 weight 0.10000E+01 volume 0.87900E+00 ppm1 4.482 ppm2 1.349
ASSI { 5205}
(( segid PTB and resid 191 and name HG11)
OR
( segid PTB and resid 191 and name HG13)
OR
( segid PTB and resid 191 and name HG12))
(( segid PTB and resid 190 and name HB1 )
OR
( segid PTB and resid 190 and name HB3 )
OR
( segid PTB and resid 190 and name HB2 ))
3.200 2.000 2.000 peak 5205 weight 0.10000E+01 volume 0.77970E+00 ppm1 0.296 ppm2 1.454
ASSI { 5217}
(( segid PTB and resid 146 and name HB2 ))
(( segid PTB and resid 147 and name HA ))
3.200 2.000 2.000 peak 5217 weight 0.10000E+01 volume 0.81910E+00 ppm1 1.511 ppm2 4.408
OR { 5217}
(( segid PTB and resid 146 and name HB1 ))
(( segid PTB and resid 147 and name HA ))
ASSI { 5223}
(( segid PTB and resid 177 and name HD1 )
OR
( segid PTB and resid 177 and name HD2 ))
(( segid PTB and resid 177 and name HA ))
3.000 1.800 1.800 peak 5223 weight 0.10000E+01 volume 0.10435E+01 ppm1 7.364 ppm2 5.455
ASSI { 5224}
(( segid PTB and resid 163 and name HN ))
(( segid PTB and resid 150 and name HA ))
3.100 1.900 1.900 peak 5224 weight 0.10000E+01 volume 0.95910E+00 ppm1 9.169 ppm2 5.421
ASSI { 5240}
(( segid PTB and resid 102 and name HB2 ))
(( segid PTB and resid 99 and name HA ))
3.000 1.800 1.800 peak 5240 weight 0.10000E+01 volume 0.10422E+01 ppm1 3.004 ppm2 4.041
ASSI { 5254}
(( segid PTB and resid 123 and name HB ))
(( segid PTB and resid 81 and name HB2 ))
3.200 2.000 2.000 peak 5254 weight 0.10000E+01 volume 0.82540E+00 ppm1 1.838 ppm2 2.187
ASSI { 5259}
(( segid PTB and resid 169 and name HA ))
(( segid PTB and resid 170 and name HA ))
3.100 1.900 1.900 peak 5259 weight 0.10000E+01 volume 0.92270E+00 ppm1 4.393 ppm2 3.721
ASSI { 5266}
(( segid PTB and resid 174 and name HN ))
(( segid PTB and resid 109 and name HD11)
OR
( segid PTB and resid 109 and name HD13)
OR
( segid PTB and resid 109 and name HD12))
3.200 2.000 2.000 peak 5266 weight 0.10000E+01 volume 0.70520E+00 ppm1 9.213 ppm2 0.478
ASSI { 5268}
(( segid PTB and resid 89 and name HA2 ))
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
3.100 1.900 1.900 peak 5268 weight 0.10000E+01 volume 0.10098E+01 ppm1 2.841 ppm2 0.416
ASSI { 5280}
(( segid PTB and resid 69 and name HE3 ))
(( segid PTB and resid 69 and name HB2 ))
3.100 1.900 1.900 peak 5280 weight 0.10000E+01 volume 0.92740E+00 ppm1 6.982 ppm2 3.248
ASSI { 5282}
(( segid PTB and resid 180 and name HB2 ))
(( segid PTB and resid 181 and name HG1 ))
3.000 1.800 1.800 peak 5282 weight 0.10000E+01 volume 0.11097E+01 ppm1 3.219 ppm2 1.381
OR { 5282}
(( segid PTB and resid 180 and name HB2 ))
(( segid PTB and resid 181 and name HG2 ))
ASSI { 5288}
(( segid PTB and resid 185 and name HB1 ))
(( segid PTB and resid 183 and name HA ))
3.000 1.800 1.800 peak 5288 weight 0.10000E+01 volume 0.11766E+01 ppm1 2.254 ppm2 4.596
OR { 5288}
(( segid PTB and resid 185 and name HB2 ))
(( segid PTB and resid 183 and name HA ))
ASSI { 5295}
(( segid PTB and resid 183 and name HB1 ))
(( segid PTB and resid 185 and name HB1 ))
2.600 1.400 1.400 peak 5295 weight 0.10000E+01 volume 0.23868E+01 ppm1 4.447 ppm2 2.251
OR { 5295}
(( segid PTB and resid 183 and name HB1 ))
(( segid PTB and resid 185 and name HB2 ))
ASSI { 5297}
(( segid PTB and resid 182 and name HA ))
(( segid PTB and resid 183 and name HB2 ))
3.200 2.000 2.000 peak 5297 weight 0.10000E+01 volume 0.81650E+00 ppm1 5.042 ppm2 4.032
ASSI { 5300}
(( segid PTB and resid 182 and name HB2 ))
(( segid PTB and resid 183 and name HB2 ))
3.100 1.900 1.900 peak 5300 weight 0.10000E+01 volume 0.94860E+00 ppm1 2.382 ppm2 4.042
ASSI { 5301}
(( segid PTB and resid 185 and name HB1 ))
(( segid PTB and resid 183 and name HB2 ))
3.100 1.900 1.900 peak 5301 weight 0.10000E+01 volume 0.86730E+00 ppm1 2.278 ppm2 4.047
OR { 5301}
(( segid PTB and resid 185 and name HB2 ))
(( segid PTB and resid 183 and name HB2 ))
ASSI { 5303}
(( segid PTB and resid 109 and name HB1 ))
(( segid PTB and resid 106 and name HA ))
2.800 1.600 1.600 peak 5303 weight 0.10000E+01 volume 0.15410E+01 ppm1 1.100 ppm2 3.811
OR { 5303}
(( segid PTB and resid 109 and name HB2 ))
(( segid PTB and resid 106 and name HA ))
ASSI { 5308}
(( segid PTB and resid 70 and name HA ))
(( segid PTB and resid 69 and name HB1 ))
3.300 2.200 2.200 peak 5308 weight 0.10000E+01 volume 0.66640E+00 ppm1 4.166 ppm2 3.028
ASSI { 5309}
(( segid PTB and resid 66 and name HA ))
(( segid PTB and resid 69 and name HB1 ))
3.100 1.900 1.900 peak 5309 weight 0.10000E+01 volume 0.87500E+00 ppm1 4.233 ppm2 3.029
ASSI { 5314}
(( segid PTB and resid 72 and name HA ))
(( segid PTB and resid 71 and name HB1 )
OR
( segid PTB and resid 71 and name HB3 )
OR
( segid PTB and resid 71 and name HB2 ))
3.000 1.800 1.800 peak 5314 weight 0.10000E+01 volume 0.11519E+01 ppm1 4.473 ppm2 1.506
ASSI { 5318}
(( segid PTB and resid 187 and name HB1 ))
(( segid PTB and resid 187 and name HA ))
3.000 1.800 1.800 peak 5318 weight 0.10000E+01 volume 0.11728E+01 ppm1 0.651 ppm2 2.689
OR { 5318}
(( segid PTB and resid 187 and name HB2 ))
(( segid PTB and resid 187 and name HA ))
ASSI { 5325}
(( segid PTB and resid 136 and name HD1 ))
(( segid PTB and resid 133 and name HA ))
3.100 1.900 1.900 peak 5325 weight 0.10000E+01 volume 0.93850E+00 ppm1 1.581 ppm2 4.499
ASSI { 5337}
(( segid PTB and resid 176 and name HA1 ))
(( segid PTB and resid 161 and name HA ))
3.200 2.000 2.000 peak 5337 weight 0.10000E+01 volume 0.74490E+00 ppm1 4.905 ppm2 5.364
ASSI { 5340}
(( segid PTB and resid 162 and name HA ))
(( segid PTB and resid 150 and name HA ))
2.700 1.500 1.500 peak 5340 weight 0.10000E+01 volume 0.19393E+01 ppm1 5.479 ppm2 5.421
ASSI { 5341}
(( segid PTB and resid 134 and name HB2 ))
(( segid PTB and resid 135 and name HA ))
3.100 1.900 1.900 peak 5341 weight 0.10000E+01 volume 0.96710E+00 ppm1 2.274 ppm2 4.375
OR { 5341}
(( segid PTB and resid 134 and name HB1 ))
(( segid PTB and resid 135 and name HA ))
ASSI { 5355}
(( segid PTB and resid 117 and name HB ))
(( segid PTB and resid 139 and name HD11)
OR
( segid PTB and resid 139 and name HD13)
OR
( segid PTB and resid 139 and name HD12))
3.000 1.800 1.800 peak 5355 weight 0.10000E+01 volume 0.11095E+01 ppm1 2.162 ppm2 0.864
ASSI { 5362}
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
3.100 1.900 1.900 peak 5362 weight 0.10000E+01 volume 0.87430E+00 ppm1 1.163 ppm2 0.602
ASSI { 5365}
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
(( segid PTB and resid 140 and name HG21)
OR
( segid PTB and resid 140 and name HG23)
OR
( segid PTB and resid 140 and name HG22))
3.200 2.000 2.000 peak 5365 weight 0.10000E+01 volume 0.80250E+00 ppm1 0.296 ppm2 0.596
ASSI { 5373}
(( segid PTB and resid 156 and name HB1 ))
(( segid PTB and resid 154 and name HA ))
3.200 2.000 2.000 peak 5373 weight 0.10000E+01 volume 0.72930E+00 ppm1 3.032 ppm2 4.112
ASSI { 5380}
(( segid PTB and resid 65 and name HB2 ))
(( segid PTB and resid 64 and name HA ))
3.000 1.800 1.800 peak 5380 weight 0.10000E+01 volume 0.10850E+01 ppm1 1.607 ppm2 4.490
OR { 5380}
(( segid PTB and resid 65 and name HB1 ))
(( segid PTB and resid 64 and name HA ))
OR { 5380}
(( segid PTB and resid 65 and name HD2 ))
(( segid PTB and resid 64 and name HA ))
ASSI { 5390}
(( segid PTB and resid 169 and name HG21)
OR
( segid PTB and resid 169 and name HG23)
OR
( segid PTB and resid 169 and name HG22))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
3.100 1.900 1.900 peak 5390 weight 0.10000E+01 volume 0.92320E+00 ppm1 1.194 ppm2 1.786
ASSI { 5392}
(( segid PTB and resid 93 and name HN ))
(( segid PTB and resid 173 and name HE1 )
OR
( segid PTB and resid 173 and name HE3 )
OR
( segid PTB and resid 173 and name HE2 ))
3.000 1.800 1.800 peak 5392 weight 0.10000E+01 volume 0.11159E+01 ppm1 8.282 ppm2 1.793
ASSI { 5403}
(( segid PTB and resid 108 and name HG11)
OR
( segid PTB and resid 108 and name HG13)
OR
( segid PTB and resid 108 and name HG12))
(( segid PTB and resid 112 and name HB1 ))
3.000 1.800 1.800 peak 5403 weight 0.10000E+01 volume 0.10189E+01 ppm1 0.929 ppm2 4.027
ASSI { 5404}
(( segid PTB and resid 70 and name HG2 ))
(( segid PTB and resid 67 and name HB1 ))
3.200 2.000 2.000 peak 5404 weight 0.10000E+01 volume 0.80220E+00 ppm1 2.384 ppm2 3.056
OR { 5404}
(( segid PTB and resid 70 and name HG1 ))
(( segid PTB and resid 67 and name HB1 ))
OR { 5404}
(( segid PTB and resid 70 and name HG2 ))
(( segid PTB and resid 67 and name HB2 ))
OR { 5404}
(( segid PTB and resid 70 and name HG1 ))
(( segid PTB and resid 67 and name HB2 ))
ASSI { 5408}
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
(( segid PTB and resid 204 and name HB2 ))
3.100 1.900 1.900 peak 5408 weight 0.10000E+01 volume 0.87190E+00 ppm1 1.033 ppm2 1.927
OR { 5408}
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
(( segid PTB and resid 204 and name HB1 ))
ASSI { 5419}
(( segid PTB and resid 109 and name HD21)
OR
( segid PTB and resid 109 and name HD23)
OR
( segid PTB and resid 109 and name HD22))
(( segid PTB and resid 112 and name HB1 ))
3.000 1.800 1.800 peak 5419 weight 0.10000E+01 volume 0.11439E+01 ppm1 0.421 ppm2 4.036
ASSI { 5421}
(( segid PTB and resid 131 and name HG11)
OR
( segid PTB and resid 131 and name HG13)
OR
( segid PTB and resid 131 and name HG12))
(( segid PTB and resid 136 and name HG2 ))
3.100 1.900 1.900 peak 5421 weight 0.10000E+01 volume 0.93840E+00 ppm1 0.813 ppm2 1.448
ASSI { 5424}
(( segid PTB and resid 135 and name HA ))
(( segid PTB and resid 134 and name HB2 ))
2.900 1.700 1.700 peak 5424 weight 0.10000E+01 volume 0.13751E+01 ppm1 4.382 ppm2 2.242
OR { 5424}
(( segid PTB and resid 135 and name HB ))
(( segid PTB and resid 134 and name HB2 ))
OR { 5424}
(( segid PTB and resid 135 and name HA ))
(( segid PTB and resid 134 and name HB1 ))
ASSI { 5425}
(( segid PTB and resid 119 and name HA2 ))
(( segid PTB and resid 118 and name HG2 ))
2.900 1.700 1.700 peak 5425 weight 0.10000E+01 volume 0.12452E+01 ppm1 4.688 ppm2 1.718
OR { 5425}
(( segid PTB and resid 119 and name HA2 ))
(( segid PTB and resid 118 and name HG1 ))
ASSI { 5427}
(( segid PTB and resid 183 and name HA ))
(( segid PTB and resid 158 and name HG2 ))
3.100 1.900 1.900 peak 5427 weight 0.10000E+01 volume 0.88640E+00 ppm1 4.605 ppm2 1.809
OR { 5427}
(( segid PTB and resid 183 and name HA ))
(( segid PTB and resid 158 and name HG1 ))
ASSI { 5428}
(( segid PTB and resid 156 and name HA ))
(( segid PTB and resid 154 and name HB2 ))
3.100 1.900 1.900 peak 5428 weight 0.10000E+01 volume 0.88960E+00 ppm1 4.566 ppm2 1.833
OR { 5428}
(( segid PTB and resid 156 and name HA ))
(( segid PTB and resid 154 and name HB1 ))
ASSI { 5429}
(( segid PTB and resid 179 and name HB1 )
OR
( segid PTB and resid 179 and name HB3 )
OR
( segid PTB and resid 179 and name HB2 ))
(( segid PTB and resid 183 and name HA ))
3.200 2.000 2.000 peak 5429 weight 0.10000E+01 volume 0.79597E+00 ppm1 1.619 ppm2 4.605
ASSI { 5430}
(( segid PTB and resid 181 and name HB1 ))
(( segid PTB and resid 183 and name HA ))
3.300 2.200 2.200 peak 5430 weight 0.10000E+01 volume 0.65225E+00 ppm1 1.892 ppm2 4.611
OR { 5430}
(( segid PTB and resid 181 and name HB2 ))
(( segid PTB and resid 183 and name HA ))
ASSI { 5437}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
3.100 1.900 1.900 peak 5437 weight 0.10000E+01 volume 0.93773E+00 ppm1 1.259 ppm2 0.293
ASSI { 5454}
(( segid PTB and resid 191 and name HB ))
(( segid PTB and resid 128 and name HD11)
OR
( segid PTB and resid 128 and name HD13)
OR
( segid PTB and resid 128 and name HD12))
3.200 2.000 2.000 peak 5454 weight 0.10000E+01 volume 0.81745E+00 ppm1 2.177 ppm2 0.297
ASSI { 5466}
(( segid PTB and resid 118 and name HB2 ))
(( segid PTB and resid 118 and name HG1 ))
2.100 0.900 0.900 peak 5466 weight 0.10000E+01 volume 0.94358E+01 ppm1 2.044 ppm2 1.715
OR { 5466}
(( segid PTB and resid 118 and name HB2 ))
(( segid PTB and resid 118 and name HG2 ))
ASSI { 5473}
(( segid PTB and resid 130 and name HG11)
OR
( segid PTB and resid 130 and name HG13)
OR
( segid PTB and resid 130 and name HG12))
(( segid PTB and resid 131 and name HA ))
3.200 2.000 2.000 peak 5473 weight 0.10000E+01 volume 0.74648E+00 ppm1 0.635 ppm2 4.891
ASSI { 5476}
(( segid PTB and resid 90 and name HA ))
(( segid PTB and resid 91 and name HG11)
OR
( segid PTB and resid 91 and name HG13)
OR
( segid PTB and resid 91 and name HG12))
3.000 1.800 1.800 peak 5476 weight 0.10000E+01 volume 0.11335E+01 ppm1 5.778 ppm2 0.806
ASSI { 5479}
(( segid PTB and resid 110 and name HD1 ))
(( segid PTB and resid 110 and name HB1 ))
3.200 2.000 2.000 peak 5479 weight 0.10000E+01 volume 0.76141E+00 ppm1 2.986 ppm2 1.867
OR { 5479}
(( segid PTB and resid 110 and name HD1 ))
(( segid PTB and resid 110 and name HB2 ))
ASSI { 5487}
(( segid PTB and resid 132 and name HB2 ))
(( segid PTB and resid 139 and name HG12))
3.000 1.800 1.800 peak 5487 weight 0.10000E+01 volume 0.11846E+01 ppm1 2.615 ppm2 1.331
OR { 5487}
(( segid PTB and resid 132 and name HB2 ))
(( segid PTB and resid 139 and name HG11))
ASSI { 5489}
(( segid PTB and resid 132 and name HB1 ))
(( segid PTB and resid 139 and name HG12))
3.000 1.800 1.800 peak 5489 weight 0.10000E+01 volume 0.11183E+01 ppm1 3.009 ppm2 1.359
OR { 5489}
(( segid PTB and resid 132 and name HB1 ))
(( segid PTB and resid 139 and name HG11))
ASSI { 5494}
(( segid PTB and resid 136 and name HG1 ))
(( segid PTB and resid 133 and name HA ))
3.400 2.300 2.100 peak 5494 weight 0.10000E+01 volume 0.56873E+00 ppm1 1.323 ppm2 4.481
ASSI { 5495}
(( segid PTB and resid 64 and name HA ))
(( segid PTB and resid 65 and name HG1 ))
3.200 2.000 2.000 peak 5495 weight 0.10000E+01 volume 0.71354E+00 ppm1 4.492 ppm2 1.261
ASSI { 5499}
(( segid PTB and resid 111 and name HG1 ))
(( segid PTB and resid 107 and name HD1 ))
3.000 1.800 1.800 peak 5499 weight 0.10000E+01 volume 0.10857E+01 ppm1 2.560 ppm2 1.738
ASSI { 5504}
(( segid PTB and resid 193 and name HB2 ))
(( segid PTB and resid 196 and name HB1 )
OR
( segid PTB and resid 196 and name HB3 )
OR
( segid PTB and resid 196 and name HB2 ))
3.000 1.800 1.800 peak 5504 weight 0.10000E+01 volume 0.11472E+01 ppm1 2.576 ppm2 1.582
ASSI { 5506}
(( segid PTB and resid 133 and name HB1 ))
(( segid PTB and resid 134 and name HB1 ))
2.700 1.500 1.500 peak 5506 weight 0.10000E+01 volume 0.21467E+01 ppm1 2.562 ppm2 2.260
OR { 5506}
(( segid PTB and resid 133 and name HB2 ))
(( segid PTB and resid 134 and name HB1 ))
OR { 5506}
(( segid PTB and resid 133 and name HB1 ))
(( segid PTB and resid 134 and name HB2 ))
ASSI { 5509}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 81 and name HA ))
3.000 1.800 1.800 peak 5509 weight 0.10000E+01 volume 0.10797E+01 ppm1 1.003 ppm2 4.229
ASSI { 5510}
(( segid PTB and resid 135 and name HG21)
OR
( segid PTB and resid 135 and name HG23)
OR
( segid PTB and resid 135 and name HG22))
(( segid PTB and resid 134 and name HA ))
3.000 1.800 1.800 peak 5510 weight 0.10000E+01 volume 0.11623E+01 ppm1 1.254 ppm2 4.242
ASSI { 5520}
(( segid PTB and resid 170 and name HG1 ))
(( segid PTB and resid 169 and name HA ))
3.000 1.800 1.800 peak 5520 weight 0.10000E+01 volume 0.10731E+01 ppm1 1.518 ppm2 4.407
OR { 5520}
(( segid PTB and resid 170 and name HG2 ))
(( segid PTB and resid 169 and name HA ))
ASSI { 5527}
(( segid PTB and resid 137 and name HA1 ))
(( segid PTB and resid 135 and name HB ))
3.200 2.000 2.000 peak 5527 weight 0.10000E+01 volume 0.77193E+00 ppm1 4.185 ppm2 4.402
ASSI { 5533}
(( segid PTB and resid 136 and name HG2 ))
(( segid PTB and resid 136 and name HB1 ))
3.100 1.900 1.900 peak 5533 weight 0.10000E+01 volume 0.10087E+01 ppm1 1.436 ppm2 2.004
ASSI { 5535}
(( segid PTB and resid 136 and name HB1 ))
(( segid PTB and resid 136 and name HD1 ))
2.800 1.600 1.600 peak 5535 weight 0.10000E+01 volume 0.15811E+01 ppm1 1.987 ppm2 1.588
ASSI { 5536}
(( segid PTB and resid 136 and name HB2 ))
(( segid PTB and resid 136 and name HG1 ))
3.100 1.900 1.900 peak 5536 weight 0.10000E+01 volume 0.90000E+00 ppm1 2.201 ppm2 1.297
ASSI { 5537}
(( segid PTB and resid 136 and name HB2 ))
(( segid PTB and resid 136 and name HG2 ))
2.800 1.600 1.600 peak 5537 weight 0.10000E+01 volume 0.15456E+01 ppm1 2.230 ppm2 1.428
ASSI { 5539}
(( segid PTB and resid 186 and name HA ))
(( segid PTB and resid 185 and name HB2 ))
3.200 2.000 2.000 peak 5539 weight 0.10000E+01 volume 0.73432E+00 ppm1 3.029 ppm2 2.259
OR { 5539}
(( segid PTB and resid 186 and name HA ))
(( segid PTB and resid 185 and name HB1 ))
OR { 5539}
(( segid PTB and resid 186 and name HD1 ))
(( segid PTB and resid 185 and name HB2 ))
OR { 5539}
(( segid PTB and resid 186 and name HD2 ))
(( segid PTB and resid 185 and name HB2 ))
OR { 5539}
(( segid PTB and resid 186 and name HD1 ))
(( segid PTB and resid 185 and name HB1 ))
OR { 5539}
(( segid PTB and resid 186 and name HD2 ))
(( segid PTB and resid 185 and name HB1 ))
ASSI { 5541}
(( segid PTB and resid 111 and name HG2 ))
(( segid PTB and resid 107 and name HG2 ))
3.200 2.000 2.000 peak 5541 weight 0.10000E+01 volume 0.83346E+00 ppm1 2.423 ppm2 1.308
OR { 5541}
(( segid PTB and resid 111 and name HG2 ))
(( segid PTB and resid 107 and name HG1 ))
ASSI { 5543}
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
(( segid PTB and resid 181 and name HG1 ))
3.000 1.800 1.800 peak 5543 weight 0.10000E+01 volume 0.11146E+01 ppm1 6.966 ppm2 1.389
OR { 5543}
(( segid PTB and resid 83 and name HD1 )
OR
( segid PTB and resid 83 and name HD2 ))
(( segid PTB and resid 181 and name HG2 ))
OR { 5543}
(( segid PTB and resid 83 and name HE1 )
OR
( segid PTB and resid 83 and name HE2 ))
(( segid PTB and resid 181 and name HG2 ))
OR { 5543}
(( segid PTB and resid 83 and name HE1 )
OR
( segid PTB and resid 83 and name HE2 ))
(( segid PTB and resid 181 and name HG1 ))
ASSI { 5554}
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
(( segid PTB and resid 161 and name HB2 ))
3.000 1.800 1.800 peak 5554 weight 0.10000E+01 volume 0.12114E+01 ppm1 0.867 ppm2 3.588
OR { 5554}
(( segid PTB and resid 106 and name HD11)
OR
( segid PTB and resid 106 and name HD13)
OR
( segid PTB and resid 106 and name HD12))
(( segid PTB and resid 161 and name HB1 ))
OR { 5554}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 161 and name HB2 ))
OR { 5554}
(( segid PTB and resid 106 and name HD21)
OR
( segid PTB and resid 106 and name HD23)
OR
( segid PTB and resid 106 and name HD22))
(( segid PTB and resid 161 and name HB1 ))
ASSI { 5570}
(( segid PTB and resid 138 and name HG ))
(( segid PTB and resid 140 and name HA ))
3.400 2.300 2.100 peak 5570 weight 0.10000E+01 volume 0.56319E+00 ppm1 1.464 ppm2 4.102
ASSI { 5585}
(( segid PTB and resid 178 and name HB1 ))
(( segid PTB and resid 178 and name HG ))
3.100 1.900 1.900 peak 5585 weight 0.10000E+01 volume 0.90000E+00 ppm1 1.378 ppm2 1.568
ASSI { 5589}
(( segid PTB and resid 152 and name HB1 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
3.300 2.200 2.200 peak 5589 weight 0.10000E+01 volume 0.66758E+00 ppm1 3.948 ppm2 1.549
OR { 5589}
(( segid PTB and resid 152 and name HB2 ))
(( segid PTB and resid 151 and name HB1 )
OR
( segid PTB and resid 151 and name HB3 )
OR
( segid PTB and resid 151 and name HB2 ))
ASSI { 5599}
(( segid PTB and resid 154 and name HD2 ))
(( segid PTB and resid 154 and name HA ))
3.100 1.900 1.900 peak 5599 weight 0.10000E+01 volume 0.10051E+01 ppm1 3.311 ppm2 4.109
ASSI { 5603}
(( segid PTB and resid 155 and name HA ))
(( segid PTB and resid 158 and name HG1 ))
3.300 2.200 2.200 peak 5603 weight 0.10000E+01 volume 0.59378E+00 ppm1 4.786 ppm2 1.810
OR { 5603}
(( segid PTB and resid 155 and name HA ))
(( segid PTB and resid 158 and name HG2 ))
ASSI { 5610}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 124 and name HA ))
3.000 1.800 1.800 peak 5610 weight 0.10000E+01 volume 0.11742E+01 ppm1 1.003 ppm2 5.183
ASSI { 5611}
(( segid PTB and resid 194 and name HB1 )
OR
( segid PTB and resid 194 and name HB3 )
OR
( segid PTB and resid 194 and name HB2 ))
(( segid PTB and resid 124 and name HA ))
3.200 2.000 2.000 peak 5611 weight 0.10000E+01 volume 0.72094E+00 ppm1 1.282 ppm2 5.185
ASSI { 5612}
(( segid PTB and resid 81 and name HB2 ))
(( segid PTB and resid 124 and name HA ))
3.200 2.000 2.000 peak 5612 weight 0.10000E+01 volume 0.71220E+00 ppm1 2.162 ppm2 5.182
ASSI { 5617}
(( segid PTB and resid 133 and name HB1 ))
(( segid PTB and resid 118 and name HB1 ))
3.100 1.900 1.900 peak 5617 weight 0.10000E+01 volume 0.10009E+01 ppm1 2.591 ppm2 1.839
OR { 5617}
(( segid PTB and resid 133 and name HB2 ))
(( segid PTB and resid 118 and name HB1 ))
ASSI { 5631}
(( segid PTB and resid 128 and name HA ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
3.300 2.200 2.200 peak 5631 weight 0.10000E+01 volume 0.59310E+00 ppm1 5.301 ppm2 0.725
ASSI { 5632}
(( segid PTB and resid 76 and name HG21)
OR
( segid PTB and resid 76 and name HG23)
OR
( segid PTB and resid 76 and name HG22))
(( segid PTB and resid 193 and name HB1 ))
3.100 1.900 1.900 peak 5632 weight 0.10000E+01 volume 0.99481E+00 ppm1 1.004 ppm2 3.093
ASSI { 5634}
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
(( segid PTB and resid 174 and name HB2 ))
3.100 1.900 1.900 peak 5634 weight 0.10000E+01 volume 0.90000E+00 ppm1 0.799 ppm2 2.466
OR { 5634}
(( segid PTB and resid 93 and name HG11)
OR
( segid PTB and resid 93 and name HG13)
OR
( segid PTB and resid 93 and name HG12))
(( segid PTB and resid 174 and name HB1 ))
ASSI { 5645}
(( segid PTB and resid 191 and name HA ))
(( segid PTB and resid 123 and name HG21)
OR
( segid PTB and resid 123 and name HG23)
OR
( segid PTB and resid 123 and name HG22))
2.900 1.700 1.700 peak 5645 weight 0.10000E+01 volume 0.12500E+01 ppm1 2.994 ppm2 0.711
ASSI { 5647}
(( segid PTB and resid 133 and name HB2 ))
(( segid PTB and resid 136 and name HD2 ))
3.100 1.900 1.900 peak 5647 weight 0.10000E+01 volume 0.90000E+00 ppm1 2.580 ppm2 1.707
OR { 5647}
(( segid PTB and resid 133 and name HB1 ))
(( segid PTB and resid 136 and name HD2 ))
ASSI { 5652}
(( segid PTB and resid 73 and name HA ))
(( segid PTB and resid 193 and name HB1 ))
3.300 2.200 2.200 peak 5652 weight 0.10000E+01 volume 0.67349E+00 ppm1 3.851 ppm2 3.068
ASSI { 6}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 3 and name HA ))
2.900 1.700 1.700 peak 6 weight 0.10000E+01 volume 0.35500E+00 ppm1 7.718 ppm2 4.319
ASSI { 8}
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
(( segid GPPY and resid 4 and name HA1 ))
2.900 1.700 1.700 peak 8 weight 0.10000E+01 volume 0.33800E+00 ppm1 7.033 ppm2 2.468
ASSI { 12}
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
(( segid GPPY and resid 2 and name HB2 ))
2.900 1.700 1.700 peak 12 weight 0.10000E+01 volume 0.34941E+00 ppm1 7.033 ppm2 3.128
ASSI { 14}
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
(( segid GPPY and resid 2 and name HA ))
2.900 1.700 1.700 peak 14 weight 0.10000E+01 volume 0.37712E+00 ppm1 7.035 ppm2 5.824
ASSI { 16}
(( segid GPPY and resid 7 and name HN ))
(( segid GPPY and resid 7 and name HG ))
2.800 1.600 1.600 peak 16 weight 0.10000E+01 volume 0.40890E+00 ppm1 7.071 ppm2 1.527
ASSI { 20}
(( segid GPPY and resid 7 and name HN ))
(( segid GPPY and resid 3 and name HA ))
3.200 2.000 2.000 peak 20 weight 0.10000E+01 volume 0.22282E+00 ppm1 7.084 ppm2 4.325
ASSI { 22}
(( segid GPPY and resid 6 and name HD2 ))
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
3.000 1.800 1.800 peak 22 weight 0.10000E+01 volume 0.27918E+00 ppm1 7.370 ppm2 0.861
OR { 22}
(( segid GPPY and resid 6 and name HD1 ))
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
OR { 22}
(( segid GPPY and resid 6 and name HD2 ))
(( segid GPPY and resid 7 and name HD11)
OR
( segid GPPY and resid 7 and name HD13)
OR
( segid GPPY and resid 7 and name HD12))
ASSI { 25}
(( segid GPPY and resid 6 and name HD2 ))
(( segid GPPY and resid 3 and name HA ))
3.100 1.900 1.900 peak 25 weight 0.10000E+01 volume 0.22723E+00 ppm1 7.379 ppm2 4.320
OR { 25}
(( segid GPPY and resid 6 and name HD1 ))
(( segid GPPY and resid 3 and name HA ))
ASSI { 26}
(( segid GPPY and resid 6 and name HE2 ))
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
2.800 1.600 1.600 peak 26 weight 0.10000E+01 volume 0.50413E+00 ppm1 7.131 ppm2 0.862
OR { 26}
(( segid GPPY and resid 6 and name HE1 ))
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
OR { 26}
(( segid GPPY and resid 6 and name HE2 ))
(( segid GPPY and resid 7 and name HD11)
OR
( segid GPPY and resid 7 and name HD13)
OR
( segid GPPY and resid 7 and name HD12))
ASSI { 35}
(( segid GPPY and resid 7 and name HB1 ))
(( segid GPPY and resid 7 and name HN ))
2.900 1.700 1.700 peak 35 weight 0.10000E+01 volume 0.40160E+00 ppm1 1.507 ppm2 7.086
OR { 35}
(( segid GPPY and resid 7 and name HB2 ))
(( segid GPPY and resid 7 and name HN ))
OR { 35}
(( segid GPPY and resid 7 and name HG ))
(( segid GPPY and resid 7 and name HN ))
ASSI { 44}
(( segid GPPY and resid 6 and name HE1 ))
(( segid GPPY and resid 6 and name HD1 ))
1.900 0.700 0.700 peak 44 weight 0.10000E+01 volume 0.49788E+01 ppm1 7.130 ppm2 7.386
OR { 44}
(( segid GPPY and resid 6 and name HE2 ))
(( segid GPPY and resid 6 and name HD2 ))
ASSI { 2}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 4 and name HA1 ))
2.800 1.600 1.600 peak 2 weight 0.10000E+01 volume 0.10546E+01 ppm1 7.715 ppm2 2.517
ASSI { 3}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 4 and name HA2 ))
3.000 1.800 1.800 peak 3 weight 0.10000E+01 volume 0.74939E+00 ppm1 7.711 ppm2 2.736
ASSI { 4}
(( segid GPPY and resid 3 and name HN ))
(( segid GPPY and resid 3 and name HB ))
2.800 1.600 1.600 peak 4 weight 0.10000E+01 volume 0.11665E+01 ppm1 8.439 ppm2 1.928
ASSI { 5}
(( segid GPPY and resid 7 and name HN ))
(( segid GPPY and resid 7 and name HA ))
2.200 1.000 1.000 peak 5 weight 0.10000E+01 volume 0.41092E+01 ppm1 7.085 ppm2 4.103
ASSI { 8}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 3 and name HG21)
OR
( segid GPPY and resid 3 and name HG23)
OR
( segid GPPY and resid 3 and name HG22))
2.500 1.300 1.300 peak 8 weight 0.10000E+01 volume 0.22772E+01 ppm1 7.714 ppm2 1.202
ASSI { 9}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
2.900 1.700 1.700 peak 9 weight 0.10000E+01 volume 0.86259E+00 ppm1 7.714 ppm2 1.033
ASSI { 10}
(( segid GPPY and resid 2 and name HN ))
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
2.400 1.200 1.200 peak 10 weight 0.10000E+01 volume 0.27998E+01 ppm1 8.326 ppm2 1.432
ASSI { 11}
(( segid GPPY and resid 2 and name HN ))
(( segid GPPY and resid 1 and name HA ))
2.900 1.700 1.700 peak 11 weight 0.10000E+01 volume 0.92353E+00 ppm1 8.323 ppm2 4.925
ASSI { 12}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid GPPY and resid 1 and name HA ))
2.500 1.300 1.300 peak 12 weight 0.10000E+01 volume 0.20354E+01 ppm1 1.433 ppm2 4.926
ASSI { 13}
(( segid GPPY and resid 2 and name HN ))
(( segid GPPY and resid 2 and name HB1 ))
3.000 1.800 1.800 peak 13 weight 0.10000E+01 volume 0.72170E+00 ppm1 8.328 ppm2 3.042
ASSI { 15}
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
(( segid GPPY and resid 2 and name HB1 ))
2.500 1.300 1.300 peak 15 weight 0.10000E+01 volume 0.21719E+01 ppm1 7.018 ppm2 3.066
ASSI { 16}
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
(( segid GPPY and resid 2 and name HN ))
2.600 1.400 1.400 peak 16 weight 0.10000E+01 volume 0.15780E+01 ppm1 7.017 ppm2 8.332
ASSI { 18}
(( segid GPPY and resid 2 and name HE1 )
OR
( segid GPPY and resid 2 and name HE2 ))
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
2.000 0.800 0.800 peak 18 weight 0.10000E+01 volume 0.80179E+01 ppm1 6.613 ppm2 7.022
ASSI { 19}
(( segid GPPY and resid 2 and name HE1 )
OR
( segid GPPY and resid 2 and name HE2 ))
(( segid GPPY and resid 2 and name HB1 ))
3.000 1.800 1.800 peak 19 weight 0.10000E+01 volume 0.76619E+00 ppm1 6.618 ppm2 3.071
ASSI { 22}
(( segid GPPY and resid 3 and name HN ))
(( segid GPPY and resid 3 and name HG21)
OR
( segid GPPY and resid 3 and name HG23)
OR
( segid GPPY and resid 3 and name HG22))
3.000 1.800 1.800 peak 22 weight 0.10000E+01 volume 0.70912E+00 ppm1 8.434 ppm2 1.202
ASSI { 23}
(( segid GPPY and resid 7 and name HN ))
(( segid GPPY and resid 7 and name HB1 ))
2.200 1.000 1.000 peak 23 weight 0.10000E+01 volume 0.47995E+01 ppm1 7.084 ppm2 1.480
OR { 23}
(( segid GPPY and resid 7 and name HN ))
(( segid GPPY and resid 7 and name HB2 ))
ASSI { 24}
(( segid GPPY and resid 7 and name HN ))
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
2.500 1.300 1.300 peak 24 weight 0.10000E+01 volume 0.19506E+01 ppm1 7.086 ppm2 0.851
OR { 24}
(( segid GPPY and resid 7 and name HN ))
(( segid GPPY and resid 7 and name HD11)
OR
( segid GPPY and resid 7 and name HD13)
OR
( segid GPPY and resid 7 and name HD12))
ASSI { 26}
(( segid GPPY and resid 5 and name HG1 ))
(( segid GPPY and resid 5 and name HD1 ))
2.700 1.500 1.500 peak 26 weight 0.10000E+01 volume 0.13837E+01 ppm1 2.080 ppm2 3.494
ASSI { 27}
(( segid GPPY and resid 5 and name HG2 ))
(( segid GPPY and resid 5 and name HD1 ))
2.700 1.500 1.500 peak 27 weight 0.10000E+01 volume 0.13687E+01 ppm1 1.787 ppm2 3.504
ASSI { 29}
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
(( segid GPPY and resid 7 and name HA ))
1.900 0.700 0.700 peak 29 weight 0.10000E+01 volume 0.11368E+02 ppm1 0.841 ppm2 4.102
OR { 29}
(( segid GPPY and resid 7 and name HD11)
OR
( segid GPPY and resid 7 and name HD13)
OR
( segid GPPY and resid 7 and name HD12))
(( segid GPPY and resid 7 and name HA ))
ASSI { 30}
(( segid GPPY and resid 3 and name HG21)
OR
( segid GPPY and resid 3 and name HG23)
OR
( segid GPPY and resid 3 and name HG22))
(( segid GPPY and resid 3 and name HA ))
2.300 1.100 1.100 peak 30 weight 0.10000E+01 volume 0.37540E+01 ppm1 1.201 ppm2 4.302
ASSI { 31}
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
(( segid GPPY and resid 3 and name HA ))
2.400 1.200 1.200 peak 31 weight 0.10000E+01 volume 0.26155E+01 ppm1 1.034 ppm2 4.304
ASSI { 32}
(( segid GPPY and resid 3 and name HG21)
OR
( segid GPPY and resid 3 and name HG23)
OR
( segid GPPY and resid 3 and name HG22))
(( segid GPPY and resid 3 and name HB ))
2.000 0.800 0.800 peak 32 weight 0.10000E+01 volume 0.91628E+01 ppm1 1.199 ppm2 1.915
ASSI { 33}
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
(( segid GPPY and resid 3 and name HG12))
2.000 0.800 0.800 peak 33 weight 0.10000E+01 volume 0.93364E+01 ppm1 1.033 ppm2 1.843
ASSI { 34}
(( segid GPPY and resid 7 and name HD11)
OR
( segid GPPY and resid 7 and name HD13)
OR
( segid GPPY and resid 7 and name HD12))
(( segid GPPY and resid 7 and name HB1 ))
1.800 0.600 0.600 peak 34 weight 0.10000E+01 volume 0.15308E+02 ppm1 0.851 ppm2 1.485
OR { 34}
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
(( segid GPPY and resid 7 and name HB1 ))
OR { 34}
(( segid GPPY and resid 7 and name HD11)
OR
( segid GPPY and resid 7 and name HD13)
OR
( segid GPPY and resid 7 and name HD12))
(( segid GPPY and resid 7 and name HB2 ))
OR { 34}
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
(( segid GPPY and resid 7 and name HB2 ))
ASSI { 35}
(( segid GPPY and resid 3 and name HG11))
(( segid GPPY and resid 3 and name HG12))
2.100 0.900 0.900 peak 35 weight 0.10000E+01 volume 0.54550E+01 ppm1 1.389 ppm2 1.843
ASSI { 36}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid GPPY and resid 5 and name HB2 ))
2.400 1.200 1.200 peak 36 weight 0.10000E+01 volume 0.29687E+01 ppm1 1.431 ppm2 1.997
ASSI { 37}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid GPPY and resid 5 and name HB1 ))
2.300 1.100 1.100 peak 37 weight 0.10000E+01 volume 0.36582E+01 ppm1 1.433 ppm2 2.197
ASSI { 38}
(( segid GPPY and resid 5 and name HG2 ))
(( segid GPPY and resid 5 and name HG1 ))
2.100 0.900 0.900 peak 38 weight 0.10000E+01 volume 0.58469E+01 ppm1 1.786 ppm2 2.082
ASSI { 39}
(( segid GPPY and resid 5 and name HG2 ))
(( segid GPPY and resid 5 and name HB1 ))
2.400 1.200 1.200 peak 39 weight 0.10000E+01 volume 0.24727E+01 ppm1 1.789 ppm2 2.220
ASSI { 40}
(( segid GPPY and resid 5 and name HB2 ))
(( segid GPPY and resid 5 and name HB1 ))
2.100 0.900 0.900 peak 40 weight 0.10000E+01 volume 0.62591E+01 ppm1 1.973 ppm2 2.221
ASSI { 41}
(( segid GPPY and resid 5 and name HG2 ))
(( segid GPPY and resid 5 and name HD2 ))
2.800 1.600 1.600 peak 41 weight 0.10000E+01 volume 0.10177E+01 ppm1 1.788 ppm2 2.604
ASSI { 47}
(( segid GPPY and resid 3 and name HG12))
(( segid GPPY and resid 3 and name HA ))
2.600 1.400 1.400 peak 47 weight 0.10000E+01 volume 0.15148E+01 ppm1 1.799 ppm2 4.301
ASSI { 49}
(( segid GPPY and resid 7 and name HG ))
(( segid GPPY and resid 3 and name HA ))
2.900 1.700 1.700 peak 49 weight 0.10000E+01 volume 0.83010E+00 ppm1 1.546 ppm2 4.308
ASSI { 50}
(( segid GPPY and resid 7 and name HB1 ))
(( segid GPPY and resid 3 and name HA ))
2.800 1.600 1.600 peak 50 weight 0.10000E+01 volume 0.11908E+01 ppm1 1.480 ppm2 4.317
OR { 50}
(( segid GPPY and resid 7 and name HB2 ))
(( segid GPPY and resid 3 and name HA ))
ASSI { 51}
(( segid GPPY and resid 3 and name HG11))
(( segid GPPY and resid 3 and name HA ))
2.600 1.400 1.400 peak 51 weight 0.10000E+01 volume 0.15728E+01 ppm1 1.403 ppm2 4.301
ASSI { 53}
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
(( segid GPPY and resid 5 and name HB2 ))
3.000 1.800 1.800 peak 53 weight 0.10000E+01 volume 0.76069E+00 ppm1 7.021 ppm2 2.008
ASSI { 57}
(( segid GPPY and resid 3 and name HN ))
(( segid GPPY and resid 2 and name HB2 ))
3.100 1.900 1.900 peak 57 weight 0.10000E+01 volume 0.54469E+00 ppm1 8.431 ppm2 3.132
ASSI { 58}
(( segid GPPY and resid 3 and name HN ))
(( segid GPPY and resid 2 and name HB1 ))
3.200 2.000 2.000 peak 58 weight 0.10000E+01 volume 0.50866E+00 ppm1 8.429 ppm2 3.037
ASSI { 68}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 7 and name HD11)
OR
( segid GPPY and resid 7 and name HD13)
OR
( segid GPPY and resid 7 and name HD12))
3.200 2.000 2.000 peak 68 weight 0.10000E+01 volume 0.52569E+00 ppm1 7.733 ppm2 0.826
OR { 68}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
ASSI { 70}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 5 and name HG2 ))
3.300 2.200 2.200 peak 70 weight 0.10000E+01 volume 0.42576E+00 ppm1 7.748 ppm2 1.759
ASSI { 71}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 3 and name HB ))
3.200 2.000 2.000 peak 71 weight 0.10000E+01 volume 0.48045E+00 ppm1 7.724 ppm2 1.897
ASSI { 74}
(( segid GPPY and resid 4 and name HN ))
(( segid GPPY and resid 3 and name HG12))
3.200 2.000 2.000 peak 74 weight 0.10000E+01 volume 0.50344E+00 ppm1 7.680 ppm2 1.856
ASSI { 78}
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
(( segid GPPY and resid 3 and name HB ))
3.000 1.800 1.800 peak 78 weight 0.10000E+01 volume 0.73795E+00 ppm1 7.024 ppm2 1.892
ASSI { 82}
(( segid GPPY and resid 2 and name HD1 )
OR
( segid GPPY and resid 2 and name HD2 ))
(( segid GPPY and resid 4 and name HA2 ))
3.200 2.000 2.000 peak 82 weight 0.10000E+01 volume 0.52084E+00 ppm1 6.974 ppm2 2.766
ASSI { 89}
(( segid GPPY and resid 7 and name HA ))
(( segid GPPY and resid 7 and name HB1 ))
1.900 0.700 0.700 peak 89 weight 0.10000E+01 volume 0.99552E+01 ppm1 4.099 ppm2 1.480
OR { 89}
(( segid GPPY and resid 7 and name HA ))
(( segid GPPY and resid 7 and name HB2 ))
ASSI { 94}
(( segid GPPY and resid 3 and name HA ))
(( segid GPPY and resid 3 and name HB ))
2.700 1.500 1.500 peak 94 weight 0.10000E+01 volume 0.14581E+01 ppm1 4.299 ppm2 1.910
ASSI { 95}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 5 and name HB1 ))
2.200 1.000 1.000 peak 95 weight 0.10000E+01 volume 0.49772E+01 ppm1 4.245 ppm2 2.222
ASSI { 96}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 5 and name HG1 ))
2.700 1.500 1.500 peak 96 weight 0.10000E+01 volume 0.14021E+01 ppm1 4.240 ppm2 2.080
ASSI { 97}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 5 and name HB2 ))
2.300 1.100 1.100 peak 97 weight 0.10000E+01 volume 0.34150E+01 ppm1 4.244 ppm2 1.981
ASSI { 98}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 5 and name HG2 ))
2.600 1.400 1.400 peak 98 weight 0.10000E+01 volume 0.18338E+01 ppm1 4.249 ppm2 1.791
ASSI { 101}
(( segid GPPY and resid 5 and name HD1 ))
(( segid GPPY and resid 5 and name HB1 ))
3.000 1.800 1.800 peak 101 weight 0.10000E+01 volume 0.72890E+00 ppm1 3.499 ppm2 2.207
ASSI { 103}
(( segid GPPY and resid 5 and name HD1 ))
(( segid GPPY and resid 5 and name HB2 ))
3.100 1.900 1.900 peak 103 weight 0.10000E+01 volume 0.63052E+00 ppm1 3.489 ppm2 1.996
ASSI { 105}
(( segid GPPY and resid 5 and name HD1 ))
(( segid GPPY and resid 4 and name HA2 ))
2.700 1.500 1.500 peak 105 weight 0.10000E+01 volume 0.13914E+01 ppm1 3.488 ppm2 2.687
ASSI { 106}
(( segid GPPY and resid 5 and name HD1 ))
(( segid GPPY and resid 5 and name HD2 ))
2.500 1.300 1.300 peak 106 weight 0.10000E+01 volume 0.22307E+01 ppm1 3.491 ppm2 2.605
ASSI { 114}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 4 and name HA1 ))
3.100 1.900 1.900 peak 114 weight 0.10000E+01 volume 0.58865E+00 ppm1 4.250 ppm2 2.477
ASSI { 116}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 5 and name HD2 ))
2.900 1.700 1.700 peak 116 weight 0.10000E+01 volume 0.85679E+00 ppm1 4.247 ppm2 2.637
ASSI { 117}
(( segid GPPY and resid 5 and name HA ))
(( segid GPPY and resid 4 and name HA2 ))
3.200 2.000 2.000 peak 117 weight 0.10000E+01 volume 0.49705E+00 ppm1 4.234 ppm2 2.692
ASSI { 124}
(( segid GPPY and resid 3 and name HB ))
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
2.300 1.100 1.100 peak 124 weight 0.10000E+01 volume 0.35602E+01 ppm1 1.912 ppm2 1.036
ASSI { 126}
(( segid GPPY and resid 3 and name HG12))
(( segid GPPY and resid 3 and name HG21)
OR
( segid GPPY and resid 3 and name HG23)
OR
( segid GPPY and resid 3 and name HG22))
2.300 1.100 1.100 peak 126 weight 0.10000E+01 volume 0.35949E+01 ppm1 1.849 ppm2 1.203
ASSI { 129}
(( segid GPPY and resid 5 and name HD2 ))
(( segid GPPY and resid 5 and name HB1 ))
2.900 1.700 1.700 peak 129 weight 0.10000E+01 volume 0.81270E+00 ppm1 2.602 ppm2 2.207
ASSI { 131}
(( segid GPPY and resid 5 and name HD2 ))
(( segid GPPY and resid 5 and name HG1 ))
2.900 1.700 1.700 peak 131 weight 0.10000E+01 volume 0.82043E+00 ppm1 2.594 ppm2 2.073
ASSI { 134}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid GPPY and resid 5 and name HD2 ))
2.600 1.400 1.400 peak 134 weight 0.10000E+01 volume 0.18462E+01 ppm1 1.428 ppm2 2.641
ASSI { 136}
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
(( segid GPPY and resid 2 and name HB1 ))
2.400 1.200 1.200 peak 136 weight 0.10000E+01 volume 0.27226E+01 ppm1 1.035 ppm2 3.033
ASSI { 138}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid GPPY and resid 2 and name HB1 ))
3.000 1.800 1.800 peak 138 weight 0.10000E+01 volume 0.76968E+00 ppm1 1.450 ppm2 3.007
ASSI { 141}
(( segid GPPY and resid 3 and name HB ))
(( segid GPPY and resid 2 and name HB1 ))
3.000 1.800 1.800 peak 141 weight 0.10000E+01 volume 0.76492E+00 ppm1 1.930 ppm2 3.033
ASSI { 142}
(( segid GPPY and resid 3 and name HG11))
(( segid GPPY and resid 3 and name HD11)
OR
( segid GPPY and resid 3 and name HD13)
OR
( segid GPPY and resid 3 and name HD12))
2.100 0.900 0.900 peak 142 weight 0.10000E+01 volume 0.58574E+01 ppm1 1.389 ppm2 1.036
ASSI { 143}
(( segid GPPY and resid 7 and name HG ))
(( segid GPPY and resid 7 and name HD21)
OR
( segid GPPY and resid 7 and name HD23)
OR
( segid GPPY and resid 7 and name HD22))
1.900 0.700 0.700 peak 143 weight 0.10000E+01 volume 0.11149E+02 ppm1 1.540 ppm2 0.851
OR { 143}
(( segid GPPY and resid 7 and name HG ))
(( segid GPPY and resid 7 and name HD11)
OR
( segid GPPY and resid 7 and name HD13)
OR
( segid GPPY and resid 7 and name HD12))
ASSI { 152}
(( segid GPPY and resid 7 and name HD11)
OR
( segid GPPY and resid 7 and name HD13)
OR
( segid GPPY and resid 7 and name HD12))
(( segid GPPY and resid 3 and name HA ))
2.800 1.600 1.600 peak 152 weight 0.10000E+01 volume 0.10831E+01 ppm1 0.845 ppm2 4.302
ASSI { 154}
(( segid GPPY and resid 1 and name HB1 )
OR
( segid GPPY and resid 1 and name HB3 )
OR
( segid GPPY and resid 1 and name HB2 ))
(( segid GPPY and resid 5 and name HD1 ))
2.800 1.600 1.600 peak 154 weight 0.10000E+01 volume 0.10851E+01 ppm1 1.429 ppm2 3.473
ASSI { 156}
(( segid GPPY and resid 4 and name HA1 ))
(( segid GPPY and resid 5 and name HD1 ))
2.900 1.700 1.700 peak 156 weight 0.10000E+01 volume 0.91688E+00 ppm1 2.536 ppm2 3.509
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