NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
544847 | 2lha | 17838 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 27} (( segid " " and resid 357 and name HN )) ( segid " " and resid 377 and name HD% ) 5.500 3.800 0.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.52913E-04 ppm1 8.278 ppm2 6.624 CV 1 ASSI { 28} (( segid " " and resid 357 and name HN )) (( segid " " and resid 377 and name HA )) 6.000 6.000 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.25215E-04 ppm1 8.278 ppm2 5.670 CV 1 ASSI { 36} (( segid " " and resid 357 and name HN )) (( segid " " and resid 358 and name HB )) 2.300 2.300 3.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.10006E-01 ppm1 8.286 ppm2 1.866 CV 1 ASSI { 62} (( segid " " and resid 272 and name HN )) (( segid " " and resid 272 and name HA )) 1.900 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.17611E-01 ppm1 8.471 ppm2 4.203 CV 1 ASSI { 81} (( segid " " and resid 273 and name HN )) (( segid " " and resid 273 and name HA )) 2.800 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.21453E-02 ppm1 8.622 ppm2 4.241 CV 1 ASSI { 82} (( segid " " and resid 292 and name HN )) (( segid " " and resid 293 and name HA )) 3.500 1.500 1.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.70683E-03 ppm1 8.622 ppm2 3.966 CV 1 ASSI { 83} (( segid " " and resid 361 and name HN )) (( segid " " and resid 360 and name HB )) 3.100 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.19612E-02 ppm1 8.618 ppm2 3.630 CV 1 ASSI { 84} (( segid " " and resid 273 and name HN )) (( segid " " and resid 298 and name HB2 )) 4.900 3.000 1.100 peak 84 spectrum 1 weight 0.10000E+01 volume 0.12808E-03 ppm1 8.624 ppm2 2.821 CV 1 ASSI { 94} (( segid " " and resid 274 and name HN )) (( segid " " and resid 298 and name HD21)) 4.600 2.700 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.16330E-03 ppm1 7.178 ppm2 6.808 CV 1 ASSI { 97} (( segid " " and resid 274 and name HN )) (( segid " " and resid 299 and name HA )) 3.000 3.000 3.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.22654E-02 ppm1 7.178 ppm2 4.470 CV 1 ASSI { 100} (( segid " " and resid 274 and name HN )) (( segid " " and resid 274 and name HA1 )) 2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.22654E-02 ppm1 7.176 ppm2 3.577 CV 1 ASSI { 102} (( segid " " and resid 274 and name HN )) (( segid " " and resid 298 and name HB2 )) 3.300 1.300 1.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.90456E-03 ppm1 7.178 ppm2 2.813 CV 1 ASSI { 105} (( segid " " and resid 274 and name HN )) (( segid " " and resid 407 and name HB2 )) 2.700 2.700 3.300 peak 105 spectrum 1 weight 0.10000E+01 volume 0.36502E-02 ppm1 7.174 ppm2 0.804 CV 1 ASSI { 109} (( segid " " and resid 274 and name HN )) (( segid " " and resid 273 and name HN )) 2.600 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.29138E-02 ppm1 7.174 ppm2 8.587 CV 1 ASSI { 111} (( segid " " and resid 275 and name HN )) (( segid " " and resid 297 and name HN )) 2.800 1.000 1.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 8.498 ppm2 9.183 CV 1 ASSI { 114} (( segid " " and resid 275 and name HN )) (( segid " " and resid 299 and name HN )) 4.300 2.400 1.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.19132E-03 ppm1 8.488 ppm2 8.175 CV 1 ASSI { 116} (( segid " " and resid 275 and name HN )) (( segid " " and resid 274 and name HN )) 3.900 1.900 1.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.73646E-03 ppm1 8.496 ppm2 7.174 CV 1 ASSI { 119} (( segid " " and resid 275 and name HN )) (( segid " " and resid 275 and name HA )) 3.500 1.500 1.500 peak 119 spectrum 1 weight 0.10000E+01 volume 0.32099E-03 ppm1 8.498 ppm2 5.776 CV 1 ASSI { 120} (( segid " " and resid 275 and name HN )) (( segid " " and resid 297 and name HA )) 4.100 2.100 1.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.23054E-03 ppm1 8.494 ppm2 5.425 CV 1 ASSI { 121} (( segid " " and resid 275 and name HN )) (( segid " " and resid 299 and name HA )) 2.400 2.400 3.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.65801E-02 ppm1 8.494 ppm2 4.463 CV 1 ASSI { 123} (( segid " " and resid 275 and name HN )) (( segid " " and resid 274 and name HA1 )) 3.800 1.800 1.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 8.498 ppm2 3.546 CV 1 ASSI { 125} (( segid " " and resid 275 and name HN )) (( segid " " and resid 298 and name HB2 )) 2.800 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 8.496 ppm2 2.782 CV 1 ASSI { 128} (( segid " " and resid 275 and name HN )) (( segid " " and resid 297 and name HG2 )) 3.400 3.400 2.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.16410E-02 ppm1 8.500 ppm2 1.217 CV 1 OR { 128} (( segid " " and resid 275 and name HN )) (( segid " " and resid 297 and name HD2 )) ASSI { 129} (( segid " " and resid 275 and name HN )) (( segid " " and resid 407 and name HB2 )) 2.500 2.500 3.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.33781E-02 ppm1 8.496 ppm2 0.858 CV 1 ASSI { 131} (( segid " " and resid 276 and name HN )) (( segid " " and resid 405 and name HN )) 2.600 0.800 0.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.29298E-02 ppm1 9.936 ppm2 9.481 CV 1 ASSI { 134} (( segid " " and resid 276 and name HN )) (( segid " " and resid 275 and name HN )) 3.700 1.700 1.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.76605E-03 ppm1 9.924 ppm2 8.511 CV 1 ASSI { 138} (( segid " " and resid 276 and name HN )) ( segid " " and resid 278 and name HE% ) 3.200 1.300 1.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.16490E-02 ppm1 9.937 ppm2 6.777 CV 1 ASSI { 139} (( segid " " and resid 276 and name HN )) (( segid " " and resid 275 and name HA )) 2.500 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.21613E-02 ppm1 9.934 ppm2 5.807 CV 1 ASSI { 140} (( segid " " and resid 276 and name HN )) (( segid " " and resid 276 and name HA )) 3.500 1.500 1.500 peak 140 spectrum 1 weight 0.10000E+01 volume 0.29778E-03 ppm1 9.932 ppm2 5.265 CV 1 ASSI { 141} (( segid " " and resid 276 and name HN )) (( segid " " and resid 406 and name HA )) 4.100 2.100 1.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.43708E-03 ppm1 9.936 ppm2 4.875 CV 1 ASSI { 146} (( segid " " and resid 276 and name HN )) (( segid " " and resid 298 and name HB2 )) 3.200 3.200 2.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.20653E-02 ppm1 9.932 ppm2 2.775 CV 1 ASSI { 147} (( segid " " and resid 276 and name HN )) (( segid " " and resid 275 and name HB2 )) 3.300 1.300 1.300 peak 147 spectrum 1 weight 0.10000E+01 volume 0.16650E-02 ppm1 9.932 ppm2 2.294 CV 1 ASSI { 148} (( segid " " and resid 276 and name HN )) (( segid " " and resid 297 and name HB2 )) 3.500 1.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.59316E-03 ppm1 9.936 ppm2 1.675 CV 1 ASSI { 151} (( segid " " and resid 276 and name HN )) (( segid " " and resid 407 and name HB2 )) 3.100 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.19852E-02 ppm1 9.934 ppm2 0.858 CV 1 ASSI { 156} (( segid " " and resid 277 and name HN )) (( segid " " and resid 276 and name HN )) 5.300 3.600 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.88052E-04 ppm1 8.933 ppm2 9.909 CV 1 ASSI { 158} (( segid " " and resid 277 and name HN )) (( segid " " and resid 297 and name HN )) 4.600 2.700 1.400 peak 158 spectrum 1 weight 0.10000E+01 volume 0.42024E-03 ppm1 8.929 ppm2 9.198 CV 1 ASSI { 160} (( segid " " and resid 277 and name HN )) (( segid " " and resid 295 and name HN )) 3.400 1.400 1.400 peak 160 spectrum 1 weight 0.10000E+01 volume 0.54832E-03 ppm1 8.927 ppm2 7.480 CV 1 ASSI { 162} (( segid " " and resid 277 and name HN )) ( segid " " and resid 278 and name HD% ) 3.900 1.900 1.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.46590E-03 ppm1 8.929 ppm2 6.785 CV 1 OR { 162} (( segid " " and resid 277 and name HN )) ( segid " " and resid 278 and name HE% ) ASSI { 163} (( segid " " and resid 277 and name HN )) (( segid " " and resid 296 and name HA )) 3.000 3.000 3.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.25536E-03 ppm1 8.931 ppm2 5.593 CV 1 ASSI { 166} (( segid " " and resid 277 and name HN )) (( segid " " and resid 277 and name HA )) 2.900 1.100 1.100 peak 166 spectrum 1 weight 0.10000E+01 volume 0.71322E-03 ppm1 8.924 ppm2 4.570 CV 1 ASSI { 170} (( segid " " and resid 277 and name HN )) (( segid " " and resid 297 and name HE2 )) 3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.19292E-02 ppm1 8.925 ppm2 1.790 CV 1 ASSI { 172} (( segid " " and resid 277 and name HN )) (( segid " " and resid 337 and name HB2 )) 4.100 2.100 1.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.18811E-02 ppm1 8.927 ppm2 1.117 CV 1 ASSI { 178} (( segid " " and resid 278 and name HN )) (( segid " " and resid 279 and name HN )) 4.400 2.400 1.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.28337E-03 ppm1 7.659 ppm2 9.909 CV 1 ASSI { 179} (( segid " " and resid 278 and name HN )) (( segid " " and resid 405 and name HN )) 4.200 2.200 1.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.65239E-03 ppm1 7.648 ppm2 9.488 CV 1 ASSI { 180} (( segid " " and resid 278 and name HN )) (( segid " " and resid 277 and name HN )) 5.700 4.000 0.300 peak 180 spectrum 1 weight 0.10000E+01 volume 0.43785E-04 ppm1 7.652 ppm2 8.954 CV 1 ASSI { 181} (( segid " " and resid 278 and name HN )) (( segid " " and resid 294 and name HN )) 3.400 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.18972E-02 ppm1 7.652 ppm2 8.236 CV 1 ASSI { 184} (( segid " " and resid 278 and name HN )) ( segid " " and resid 278 and name HD% ) 3.300 1.300 1.300 peak 184 spectrum 1 weight 0.10000E+01 volume 0.61397E-03 ppm1 7.650 ppm2 6.746 CV 1 ASSI { 186} (( segid " " and resid 278 and name HN )) (( segid " " and resid 279 and name HA )) 5.400 3.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.72605E-04 ppm1 7.652 ppm2 5.860 CV 1 ASSI { 188} (( segid " " and resid 278 and name HN )) (( segid " " and resid 402 and name HA )) 4.100 2.100 1.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.50670E-03 ppm1 7.648 ppm2 4.913 CV 1 ASSI { 192} (( segid " " and resid 278 and name HN )) (( segid " " and resid 278 and name HB2 )) 3.800 1.800 1.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.48829E-03 ppm1 7.652 ppm2 3.027 CV 1 ASSI { 196} (( segid " " and resid 278 and name HN )) (( segid " " and resid 277 and name HB2 )) 3.700 1.700 1.700 peak 196 spectrum 1 weight 0.10000E+01 volume 0.15129E-02 ppm1 7.652 ppm2 1.522 CV 1 ASSI { 197} (( segid " " and resid 278 and name HN )) (( segid " " and resid 293 and name HG12)) 3.500 3.500 2.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.19132E-02 ppm1 7.652 ppm2 1.041 CV 1 ASSI { 198} (( segid " " and resid 278 and name HN )) (( segid " " and resid 403 and name HB2 )) 3.100 1.200 1.200 peak 198 spectrum 1 weight 0.10000E+01 volume 0.19932E-02 ppm1 7.658 ppm2 0.697 CV 1 ASSI { 205} (( segid " " and resid 279 and name HN )) (( segid " " and resid 402 and name HN )) 4.700 2.700 1.300 peak 205 spectrum 1 weight 0.10000E+01 volume 0.28818E-03 ppm1 9.929 ppm2 9.547 CV 1 ASSI { 206} (( segid " " and resid 279 and name HN )) (( segid " " and resid 401 and name HN )) 6.000 4.600 0.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.56673E-04 ppm1 9.931 ppm2 9.020 CV 1 ASSI { 207} (( segid " " and resid 279 and name HN )) (( segid " " and resid 292 and name HN )) 3.400 1.400 1.400 peak 207 spectrum 1 weight 0.10000E+01 volume 0.65481E-03 ppm1 9.927 ppm2 8.622 CV 1 ASSI { 208} (( segid " " and resid 279 and name HN )) (( segid " " and resid 294 and name HN )) 3.500 1.500 1.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.81648E-03 ppm1 9.927 ppm2 8.271 CV 1 ASSI { 214} (( segid " " and resid 279 and name HN )) (( segid " " and resid 279 and name HA )) 4.800 2.900 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.52751E-04 ppm1 9.933 ppm2 5.888 CV 1 ASSI { 218} (( segid " " and resid 279 and name HN )) (( segid " " and resid 293 and name HA )) 3.700 1.700 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.35061E-03 ppm1 9.929 ppm2 4.009 CV 1 ASSI { 219} (( segid " " and resid 279 and name HN )) (( segid " " and resid 279 and name HB2 )) 3.300 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.64680E-03 ppm1 9.931 ppm2 3.620 CV 1 ASSI { 221} (( segid " " and resid 279 and name HN )) (( segid " " and resid 281 and name HD2 )) 2.700 2.700 3.300 peak 221 spectrum 1 weight 0.10000E+01 volume 0.48351E-02 ppm1 9.923 ppm2 2.932 CV 1 ASSI { 225} (( segid " " and resid 279 and name HN )) (( segid " " and resid 293 and name HG12)) 3.600 1.600 1.600 peak 225 spectrum 1 weight 0.10000E+01 volume 0.15289E-02 ppm1 9.929 ppm2 1.038 CV 1 ASSI { 226} (( segid " " and resid 279 and name HN )) (( segid " " and resid 403 and name HB2 )) 2.700 2.700 3.300 peak 226 spectrum 1 weight 0.10000E+01 volume 0.48027E-02 ppm1 9.925 ppm2 0.702 CV 1 ASSI { 232} (( segid " " and resid 280 and name HN )) (( segid " " and resid 279 and name HA )) 2.800 1.000 1.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.11047E-02 ppm1 8.268 ppm2 5.888 CV 1 ASSI { 242} (( segid " " and resid 280 and name HN )) (( segid " " and resid 280 and name HB2 )) 2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 8.271 ppm2 1.344 CV 1 ASSI { 248} (( segid " " and resid 281 and name HN )) (( segid " " and resid 401 and name HN )) 5.900 4.400 0.100 peak 248 spectrum 1 weight 0.10000E+01 volume 0.53071E-04 ppm1 8.249 ppm2 9.004 CV 1 ASSI { 249} (( segid " " and resid 281 and name HN )) (( segid " " and resid 282 and name HN )) 5.200 3.400 0.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.96058E-04 ppm1 8.241 ppm2 9.402 CV 1 ASSI { 253} (( segid " " and resid 281 and name HN )) (( segid " " and resid 280 and name HA )) 2.300 0.700 0.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.33460E-02 ppm1 8.233 ppm2 5.132 CV 1 ASSI { 254} (( segid " " and resid 281 and name HN )) (( segid " " and resid 281 and name HA )) 2.900 1.100 1.100 peak 254 spectrum 1 weight 0.10000E+01 volume 0.10246E-02 ppm1 8.237 ppm2 4.720 CV 1 ASSI { 255} (( segid " " and resid 281 and name HN )) (( segid " " and resid 290 and name HB )) 3.100 1.200 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.13288E-02 ppm1 8.237 ppm2 3.696 CV 1 ASSI { 258} (( segid " " and resid 281 and name HN )) (( segid " " and resid 393 and name HB2 )) 3.600 1.600 1.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.60357E-03 ppm1 8.233 ppm2 2.169 CV 1 ASSI { 260} (( segid " " and resid 281 and name HN )) (( segid " " and resid 280 and name HB2 )) 4.000 2.000 2.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.81648E-03 ppm1 8.239 ppm2 1.374 CV 1 OR { 260} (( segid " " and resid 281 and name HN )) (( segid " " and resid 280 and name HG )) ASSI { 267} (( segid " " and resid 282 and name HN )) (( segid " " and resid 283 and name HN )) 4.600 2.700 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.15449E-03 ppm1 9.369 ppm2 7.507 CV 1 ASSI { 269} (( segid " " and resid 364 and name HN )) ( segid " " and resid 364 and name HE% ) 5.000 3.100 1.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.22734E-03 ppm1 9.388 ppm2 6.476 CV 1 ASSI { 273} (( segid " " and resid 364 and name HN )) (( segid " " and resid 309 and name HB2 )) 2.900 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.17050E-02 ppm1 9.390 ppm2 3.612 CV 1 ASSI { 274} (( segid " " and resid 364 and name HN )) (( segid " " and resid 364 and name HB2 )) 3.000 1.200 1.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.15769E-02 ppm1 9.388 ppm2 3.016 CV 1 ASSI { 285} (( segid " " and resid 283 and name HN )) (( segid " " and resid 288 and name HN )) 2.900 1.100 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 7.479 ppm2 6.675 CV 1 ASSI { 286} (( segid " " and resid 283 and name HN )) (( segid " " and resid 282 and name HA )) 2.500 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.29778E-02 ppm1 7.481 ppm2 5.522 CV 1 ASSI { 290} (( segid " " and resid 283 and name HN )) (( segid " " and resid 283 and name HA )) 3.400 1.400 1.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.46428E-03 ppm1 7.483 ppm2 4.277 CV 1 ASSI { 291} (( segid " " and resid 283 and name HN )) (( segid " " and resid 394 and name HA )) 3.800 1.800 1.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.17931E-02 ppm1 7.481 ppm2 3.910 CV 1 ASSI { 292} (( segid " " and resid 283 and name HN )) (( segid " " and resid 398 and name HA )) 3.800 1.800 1.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.52111E-03 ppm1 7.479 ppm2 3.559 CV 1 ASSI { 293} (( segid " " and resid 283 and name HN )) (( segid " " and resid 282 and name HB2 )) 4.700 2.700 1.300 peak 293 spectrum 1 weight 0.10000E+01 volume 0.23294E-03 ppm1 7.479 ppm2 3.100 CV 1 ASSI { 296} (( segid " " and resid 283 and name HN )) (( segid " " and resid 283 and name HB )) 2.600 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.21693E-02 ppm1 7.477 ppm2 1.894 CV 1 ASSI { 297} (( segid " " and resid 283 and name HN )) (( segid " " and resid 352 and name HB )) 3.100 3.100 2.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.21293E-02 ppm1 7.477 ppm2 1.443 CV 1 ASSI { 298} (( segid " " and resid 283 and name HN )) (( segid " " and resid 288 and name HG2 )) 3.800 1.800 1.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.67242E-03 ppm1 7.475 ppm2 1.176 CV 1 ASSI { 302} (( segid " " and resid 306 and name HN )) (( segid " " and resid 303 and name HN )) 3.900 1.900 1.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.33620E-03 ppm1 7.693 ppm2 8.050 CV 1 ASSI { 303} (( segid " " and resid 306 and name HN )) (( segid " " and resid 307 and name HN )) 3.200 1.300 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 7.691 ppm2 8.409 CV 1 ASSI { 304} (( segid " " and resid 306 and name HN )) (( segid " " and resid 305 and name HN )) 3.400 1.500 1.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.60357E-03 ppm1 7.693 ppm2 8.790 CV 1 ASSI { 313} (( segid " " and resid 287 and name HN )) (( segid " " and resid 286 and name HA )) 2.700 0.900 0.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.40826E-02 ppm1 7.691 ppm2 4.338 CV 1 ASSI { 315} (( segid " " and resid 306 and name HN )) (( segid " " and resid 306 and name HA2 )) 2.500 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.47950E-02 ppm1 7.693 ppm2 3.566 CV 1 ASSI { 317} (( segid " " and resid 306 and name HN )) (( segid " " and resid 303 and name HB2 )) 3.500 1.500 1.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.11767E-02 ppm1 7.695 ppm2 2.451 CV 1 ASSI { 320} (( segid " " and resid 287 and name HN )) (( segid " " and resid 288 and name HG2 )) 2.900 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.15769E-02 ppm1 7.706 ppm2 1.221 CV 1 ASSI { 324} (( segid " " and resid 286 and name HN )) (( segid " " and resid 283 and name HN )) 5.900 4.400 0.100 peak 324 spectrum 1 weight 0.10000E+01 volume 0.68282E-04 ppm1 6.532 ppm2 7.477 CV 1 ASSI { 326} (( segid " " and resid 286 and name HN )) (( segid " " and resid 287 and name HN )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.22894E-02 ppm1 6.530 ppm2 7.698 CV 1 ASSI { 328} (( segid " " and resid 286 and name HN )) (( segid " " and resid 286 and name HA )) 2.800 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.21453E-02 ppm1 6.528 ppm2 4.391 CV 1 ASSI { 329} (( segid " " and resid 286 and name HN )) (( segid " " and resid 285 and name HB )) 3.400 1.500 1.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.51071E-03 ppm1 6.530 ppm2 4.086 CV 1 ASSI { 332} (( segid " " and resid 286 and name HN )) (( segid " " and resid 398 and name HD2 )) 3.800 3.800 2.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.76366E-04 ppm1 6.528 ppm2 3.245 CV 1 ASSI { 333} (( segid " " and resid 286 and name HN )) (( segid " " and resid 283 and name HB )) 3.200 1.200 1.200 peak 333 spectrum 1 weight 0.10000E+01 volume 0.13928E-02 ppm1 6.524 ppm2 1.901 CV 1 ASSI { 335} (( segid " " and resid 286 and name HN )) (( segid " " and resid 288 and name HG2 )) 2.300 2.300 3.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.74204E-02 ppm1 6.530 ppm2 1.199 CV 1 ASSI { 340} (( segid " " and resid 288 and name HN )) (( segid " " and resid 287 and name HN )) 3.100 1.200 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.14809E-02 ppm1 6.637 ppm2 7.698 CV 1 ASSI { 346} (( segid " " and resid 288 and name HN )) (( segid " " and resid 288 and name HA )) 2.700 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.17450E-02 ppm1 6.639 ppm2 4.910 CV 1 ASSI { 347} (( segid " " and resid 288 and name HN )) (( segid " " and resid 348 and name HA )) 4.300 2.300 1.700 peak 347 spectrum 1 weight 0.10000E+01 volume 0.49630E-03 ppm1 6.639 ppm2 4.544 CV 1 ASSI { 349} (( segid " " and resid 288 and name HN )) (( segid " " and resid 287 and name HA2 )) 2.500 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.33140E-02 ppm1 6.637 ppm2 3.772 CV 1 OR { 349} (( segid " " and resid 288 and name HN )) (( segid " " and resid 287 and name HA1 )) ASSI { 352} (( segid " " and resid 288 and name HN )) (( segid " " and resid 288 and name HE2 )) 5.200 3.400 0.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.16810E-03 ppm1 6.631 ppm2 2.833 CV 1 ASSI { 353} (( segid " " and resid 288 and name HN )) (( segid " " and resid 283 and name HB )) 2.300 2.300 3.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.57074E-02 ppm1 6.635 ppm2 1.886 CV 1 ASSI { 354} (( segid " " and resid 288 and name HN )) (( segid " " and resid 352 and name HB )) 2.600 2.600 3.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.51071E-02 ppm1 6.637 ppm2 1.473 CV 1 ASSI { 355} (( segid " " and resid 288 and name HN )) (( segid " " and resid 288 and name HG2 )) 2.200 0.600 0.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.53152E-02 ppm1 6.637 ppm2 1.229 CV 1 ASSI { 360} (( segid " " and resid 289 and name HN )) (( segid " " and resid 345 and name HN )) 2.900 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.12968E-02 ppm1 9.262 ppm2 9.440 CV 1 ASSI { 361} (( segid " " and resid 289 and name HN )) (( segid " " and resid 346 and name HN )) 5.400 3.600 0.600 peak 361 spectrum 1 weight 0.10000E+01 volume 0.56916E-04 ppm1 9.268 ppm2 9.004 CV 1 ASSI { 362} (( segid " " and resid 289 and name HN )) (( segid " " and resid 347 and name HN )) 3.600 1.600 1.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.69481E-03 ppm1 9.264 ppm2 8.439 CV 1 ASSI { 365} (( segid " " and resid 289 and name HN )) (( segid " " and resid 289 and name HA )) 2.600 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.25135E-02 ppm1 9.262 ppm2 5.491 CV 1 ASSI { 366} (( segid " " and resid 289 and name HN )) (( segid " " and resid 288 and name HA )) 2.200 0.600 0.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.46509E-02 ppm1 9.264 ppm2 4.918 CV 1 ASSI { 368} (( segid " " and resid 289 and name HN )) (( segid " " and resid 324 and name HE2 )) 5.200 3.400 0.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.11367E-03 ppm1 9.262 ppm2 3.047 CV 1 ASSI { 369} (( segid " " and resid 289 and name HN )) (( segid " " and resid 345 and name HB2 )) 2.800 1.000 1.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.20973E-02 ppm1 9.262 ppm2 2.634 CV 1 ASSI { 371} (( segid " " and resid 289 and name HN )) (( segid " " and resid 352 and name HB )) 3.100 3.100 2.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.26656E-02 ppm1 9.261 ppm2 1.458 CV 1 ASSI { 377} (( segid " " and resid 290 and name HN )) (( segid " " and resid 345 and name HN )) 3.000 3.000 3.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.20973E-02 ppm1 9.770 ppm2 9.455 CV 1 ASSI { 380} (( segid " " and resid 290 and name HN )) (( segid " " and resid 281 and name HN )) 3.300 1.400 1.400 peak 380 spectrum 1 weight 0.10000E+01 volume 0.63878E-03 ppm1 9.776 ppm2 8.241 CV 1 ASSI { 381} (( segid " " and resid 290 and name HN )) (( segid " " and resid 283 and name HN )) 4.500 2.500 1.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.32260E-03 ppm1 9.772 ppm2 7.507 CV 1 ASSI { 382} (( segid " " and resid 290 and name HN )) ( segid " " and resid 282 and name HE% ) 4.300 2.300 1.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.92857E-03 ppm1 9.772 ppm2 6.789 CV 1 ASSI { 384} (( segid " " and resid 290 and name HN )) (( segid " " and resid 290 and name HA )) 4.100 2.100 1.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.16730E-03 ppm1 9.770 ppm2 5.247 CV 1 ASSI { 385} (( segid " " and resid 290 and name HN )) (( segid " " and resid 281 and name HA )) 3.700 1.700 1.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.69003E-03 ppm1 9.774 ppm2 4.750 CV 1 ASSI { 386} (( segid " " and resid 290 and name HN )) (( segid " " and resid 290 and name HB )) 3.200 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.69003E-03 ppm1 9.774 ppm2 3.711 CV 1 ASSI { 387} (( segid " " and resid 290 and name HN )) (( segid " " and resid 282 and name HB2 )) 3.800 1.800 1.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.49149E-03 ppm1 9.770 ppm2 3.055 CV 1 ASSI { 388} (( segid " " and resid 290 and name HN )) (( segid " " and resid 345 and name HB2 )) 4.600 2.600 1.400 peak 388 spectrum 1 weight 0.10000E+01 volume 0.20573E-03 ppm1 9.772 ppm2 2.650 CV 1 ASSI { 393} (( segid " " and resid 291 and name HN )) (( segid " " and resid 290 and name HN )) 5.400 3.600 0.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.91254E-04 ppm1 9.518 ppm2 9.799 CV 1 ASSI { 395} (( segid " " and resid 291 and name HN )) (( segid " " and resid 343 and name HN )) 3.100 1.200 1.200 peak 395 spectrum 1 weight 0.10000E+01 volume 0.10246E-02 ppm1 9.514 ppm2 8.760 CV 1 ASSI { 396} (( segid " " and resid 291 and name HN )) (( segid " " and resid 344 and name HN )) 4.200 2.200 1.800 peak 396 spectrum 1 weight 0.10000E+01 volume 0.30098E-03 ppm1 9.511 ppm2 8.439 CV 1 ASSI { 398} (( segid " " and resid 291 and name HN )) (( segid " " and resid 344 and name HA )) 4.400 2.400 1.600 peak 398 spectrum 1 weight 0.10000E+01 volume 0.26016E-03 ppm1 9.516 ppm2 5.491 CV 1 ASSI { 399} (( segid " " and resid 291 and name HN )) (( segid " " and resid 290 and name HA )) 2.600 0.800 0.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.22173E-02 ppm1 9.520 ppm2 5.300 CV 1 ASSI { 400} (( segid " " and resid 291 and name HN )) (( segid " " and resid 291 and name HA )) 3.700 1.700 1.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.31779E-03 ppm1 9.516 ppm2 5.017 CV 1 ASSI { 401} (( segid " " and resid 291 and name HN )) (( segid " " and resid 342 and name HA )) 5.000 3.100 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.16650E-03 ppm1 9.513 ppm2 4.712 CV 1 ASSI { 403} (( segid " " and resid 291 and name HN )) (( segid " " and resid 290 and name HB )) 4.600 2.700 1.400 peak 403 spectrum 1 weight 0.10000E+01 volume 0.22654E-03 ppm1 9.520 ppm2 3.666 CV 1 ASSI { 405} (( segid " " and resid 291 and name HN )) (( segid " " and resid 343 and name HB2 )) 3.300 1.400 1.400 peak 405 spectrum 1 weight 0.10000E+01 volume 0.80851E-03 ppm1 9.524 ppm2 2.543 CV 1 ASSI { 406} (( segid " " and resid 291 and name HN )) (( segid " " and resid 291 and name HB )) 2.800 1.000 1.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.15769E-02 ppm1 9.516 ppm2 2.046 CV 1 ASSI { 414} (( segid " " and resid 292 and name HN )) (( segid " " and resid 293 and name HN )) 5.300 3.500 0.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.92055E-04 ppm1 8.623 ppm2 9.111 CV 1 ASSI { 420} (( segid " " and resid 292 and name HN )) (( segid " " and resid 280 and name HA )) 2.500 2.500 3.500 peak 420 spectrum 1 weight 0.10000E+01 volume 0.39786E-02 ppm1 8.630 ppm2 5.071 CV 1 ASSI { 421} (( segid " " and resid 292 and name HN )) (( segid " " and resid 292 and name HA )) 3.000 1.100 1.100 peak 421 spectrum 1 weight 0.10000E+01 volume 0.96860E-03 ppm1 8.627 ppm2 4.826 CV 1 ASSI { 422} (( segid " " and resid 292 and name HN )) (( segid " " and resid 290 and name HB )) 3.900 1.900 1.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.62518E-03 ppm1 8.625 ppm2 3.666 CV 1 ASSI { 428} (( segid " " and resid 292 and name HN )) (( segid " " and resid 293 and name HG12)) 3.700 1.700 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.56916E-03 ppm1 8.628 ppm2 0.985 CV 1 ASSI { 432} (( segid " " and resid 293 and name HN )) (( segid " " and resid 340 and name HN )) 4.300 2.300 1.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.34661E-03 ppm1 9.106 ppm2 8.164 CV 1 ASSI { 435} (( segid " " and resid 293 and name HN )) ( segid " " and resid 278 and name HD% ) 6.000 4.900 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.66121E-04 ppm1 9.100 ppm2 6.759 CV 1 OR { 435} (( segid " " and resid 293 and name HN )) ( segid " " and resid 278 and name HE% ) ASSI { 438} (( segid " " and resid 313 and name HN )) (( segid " " and resid 359 and name HA )) 6.000 4.700 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.47630E-04 ppm1 9.096 ppm2 4.506 CV 1 ASSI { 440} (( segid " " and resid 293 and name HN )) (( segid " " and resid 342 and name HB2 )) 4.700 2.800 1.300 peak 440 spectrum 1 weight 0.10000E+01 volume 0.38025E-03 ppm1 9.102 ppm2 3.345 CV 1 ASSI { 445} (( segid " " and resid 293 and name HN )) (( segid " " and resid 341 and name HB2 )) 2.900 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.91254E-03 ppm1 9.098 ppm2 1.451 CV 1 ASSI { 453} (( segid " " and resid 294 and name HN )) (( segid " " and resid 295 and name HA )) 5.000 3.100 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.12408E-03 ppm1 8.275 ppm2 5.017 CV 1 ASSI { 456} (( segid " " and resid 294 and name HN )) (( segid " " and resid 294 and name HA )) 2.900 1.100 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.13048E-02 ppm1 8.271 ppm2 4.063 CV 1 ASSI { 459} (( segid " " and resid 294 and name HN )) (( segid " " and resid 293 and name HB )) 4.800 2.800 1.200 peak 459 spectrum 1 weight 0.10000E+01 volume 0.15449E-03 ppm1 8.277 ppm2 2.130 CV 1 ASSI { 460} (( segid " " and resid 294 and name HN )) (( segid " " and resid 341 and name HB2 )) 3.500 3.500 2.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 8.271 ppm2 1.428 CV 1 ASSI { 465} (( segid " " and resid 295 and name HN )) (( segid " " and resid 294 and name HN )) 2.600 0.800 0.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.21373E-02 ppm1 7.483 ppm2 8.256 CV 1 ASSI { 470} (( segid " " and resid 295 and name HN )) ( segid " " and resid 278 and name HD% ) 1.600 1.600 4.400 peak 470 spectrum 1 weight 0.10000E+01 volume 0.13528E-01 ppm1 7.502 ppm2 6.782 CV 1 ASSI { 474} (( segid " " and resid 295 and name HN )) (( segid " " and resid 295 and name HA )) 3.000 1.200 1.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.84850E-03 ppm1 7.504 ppm2 5.094 CV 1 ASSI { 476} (( segid " " and resid 295 and name HN )) (( segid " " and resid 338 and name HA )) 4.400 2.400 1.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.59397E-03 ppm1 7.496 ppm2 4.437 CV 1 ASSI { 480} (( segid " " and resid 295 and name HN )) (( segid " " and resid 278 and name HB2 )) 1.900 1.900 4.100 peak 480 spectrum 1 weight 0.10000E+01 volume 0.42024E-02 ppm1 7.500 ppm2 2.993 CV 1 ASSI { 482} (( segid " " and resid 295 and name HN )) (( segid " " and resid 293 and name HB )) 3.500 1.600 1.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.10006E-02 ppm1 7.502 ppm2 2.085 CV 1 ASSI { 483} (( segid " " and resid 295 and name HN )) (( segid " " and resid 297 and name HE2 )) 3.400 3.400 2.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.18251E-02 ppm1 7.502 ppm2 1.832 CV 1 ASSI { 484} (( segid " " and resid 295 and name HN )) (( segid " " and resid 277 and name HB2 )) 2.900 1.100 1.100 peak 484 spectrum 1 weight 0.10000E+01 volume 0.61397E-02 ppm1 7.496 ppm2 1.473 CV 1 ASSI { 494} (( segid " " and resid 296 and name HN )) ( segid " " and resid 338 and name HD% ) 4.600 2.700 1.400 peak 494 spectrum 1 weight 0.10000E+01 volume 0.50270E-03 ppm1 9.171 ppm2 7.431 CV 1 ASSI { 496} (( segid " " and resid 296 and name HN )) ( segid " " and resid 278 and name HD% ) 3.500 3.500 2.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.91254E-03 ppm1 9.171 ppm2 6.782 CV 1 OR { 496} (( segid " " and resid 296 and name HN )) ( segid " " and resid 278 and name HE% ) ASSI { 498} (( segid " " and resid 296 and name HN )) (( segid " " and resid 296 and name HA )) 3.000 1.100 1.100 peak 498 spectrum 1 weight 0.10000E+01 volume 0.67080E-03 ppm1 9.175 ppm2 5.583 CV 1 ASSI { 499} (( segid " " and resid 296 and name HN )) (( segid " " and resid 295 and name HA )) 2.900 1.000 1.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.11767E-02 ppm1 9.173 ppm2 5.071 CV 1 ASSI { 501} (( segid " " and resid 296 and name HN )) (( segid " " and resid 338 and name HA )) 2.800 1.000 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 9.176 ppm2 4.483 CV 1 ASSI { 506} (( segid " " and resid 296 and name HN )) (( segid " " and resid 338 and name HB2 )) 3.300 1.400 1.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.13528E-02 ppm1 9.175 ppm2 2.932 CV 1 ASSI { 507} (( segid " " and resid 296 and name HN )) (( segid " " and resid 336 and name HB2 )) 4.900 3.000 1.100 peak 507 spectrum 1 weight 0.10000E+01 volume 0.16730E-03 ppm1 9.171 ppm2 2.680 CV 1 ASSI { 508} (( segid " " and resid 296 and name HN )) (( segid " " and resid 339 and name HB2 )) 3.000 3.000 3.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.22734E-02 ppm1 9.173 ppm2 2.344 CV 1 ASSI { 509} (( segid " " and resid 296 and name HN )) (( segid " " and resid 293 and name HB )) 3.900 3.900 2.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.47068E-03 ppm1 9.171 ppm2 2.069 CV 1 ASSI { 511} (( segid " " and resid 296 and name HN )) (( segid " " and resid 277 and name HB2 )) 3.100 3.100 2.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.30018E-02 ppm1 9.173 ppm2 1.519 CV 1 ASSI { 512} (( segid " " and resid 296 and name HN )) (( segid " " and resid 297 and name HD2 )) 3.200 1.200 1.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.12087E-02 ppm1 9.175 ppm2 1.183 CV 1 OR { 512} (( segid " " and resid 296 and name HN )) (( segid " " and resid 297 and name HG2 )) ASSI { 518} (( segid " " and resid 297 and name HN )) (( segid " " and resid 299 and name HN )) 4.200 2.300 1.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.23935E-03 ppm1 9.203 ppm2 8.187 CV 1 ASSI { 519} (( segid " " and resid 297 and name HN )) (( segid " " and resid 298 and name HD22)) 5.400 3.600 0.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.77649E-04 ppm1 9.205 ppm2 7.293 CV 1 ASSI { 521} (( segid " " and resid 297 and name HN )) ( segid " " and resid 278 and name HE% ) 3.800 1.800 1.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.13928E-02 ppm1 9.201 ppm2 6.751 CV 1 ASSI { 522} (( segid " " and resid 297 and name HN )) (( segid " " and resid 296 and name HA )) 2.600 0.800 0.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.25776E-02 ppm1 9.199 ppm2 5.552 CV 1 ASSI { 531} (( segid " " and resid 297 and name HN )) (( segid " " and resid 297 and name HB2 )) 2.700 0.900 0.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.14489E-02 ppm1 9.201 ppm2 1.741 CV 1 ASSI { 532} (( segid " " and resid 297 and name HN )) (( segid " " and resid 277 and name HB2 )) 3.200 3.200 2.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.27457E-02 ppm1 9.198 ppm2 1.519 CV 1 ASSI { 533} (( segid " " and resid 297 and name HN )) (( segid " " and resid 297 and name HD2 )) 3.100 1.200 1.200 peak 533 spectrum 1 weight 0.10000E+01 volume 0.22173E-02 ppm1 9.198 ppm2 1.206 CV 1 OR { 533} (( segid " " and resid 297 and name HN )) (( segid " " and resid 297 and name HG2 )) ASSI { 534} (( segid " " and resid 297 and name HN )) (( segid " " and resid 407 and name HB2 )) 3.300 3.300 2.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.13848E-02 ppm1 9.196 ppm2 0.840 CV 1 ASSI { 538} (( segid " " and resid 298 and name HN )) (( segid " " and resid 299 and name HN )) 3.100 1.200 1.200 peak 538 spectrum 1 weight 0.10000E+01 volume 0.74366E-03 ppm1 8.640 ppm2 8.218 CV 1 ASSI { 540} (( segid " " and resid 298 and name HN )) (( segid " " and resid 298 and name HD22)) 4.400 2.400 1.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.30979E-03 ppm1 8.642 ppm2 7.263 CV 1 ASSI { 545} (( segid " " and resid 298 and name HN )) (( segid " " and resid 299 and name HA )) 4.700 2.700 1.300 peak 545 spectrum 1 weight 0.10000E+01 volume 0.23054E-03 ppm1 8.644 ppm2 4.506 CV 1 ASSI { 546} (( segid " " and resid 298 and name HN )) (( segid " " and resid 298 and name HA )) 2.400 0.700 0.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.37382E-02 ppm1 8.646 ppm2 4.170 CV 1 ASSI { 547} (( segid " " and resid 298 and name HN )) (( segid " " and resid 300 and name HA )) 4.200 2.200 1.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.32099E-03 ppm1 8.646 ppm2 3.895 CV 1 ASSI { 550} (( segid " " and resid 298 and name HN )) (( segid " " and resid 298 and name HB2 )) 2.900 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.19532E-02 ppm1 8.642 ppm2 2.810 CV 1 ASSI { 553} (( segid " " and resid 298 and name HN )) (( segid " " and resid 297 and name HB2 )) 3.200 1.300 1.300 peak 553 spectrum 1 weight 0.10000E+01 volume 0.27056E-02 ppm1 8.642 ppm2 1.703 CV 1 ASSI { 554} (( segid " " and resid 298 and name HN )) (( segid " " and resid 297 and name HG2 )) 3.900 1.900 1.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.11527E-02 ppm1 8.644 ppm2 1.221 CV 1 OR { 554} (( segid " " and resid 298 and name HN )) (( segid " " and resid 297 and name HD2 )) ASSI { 560} (( segid " " and resid 299 and name HN )) (( segid " " and resid 336 and name HD21)) 5.300 3.600 0.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.42267E-04 ppm1 8.214 ppm2 7.622 CV 1 ASSI { 561} (( segid " " and resid 299 and name HN )) (( segid " " and resid 298 and name HD22)) 4.200 2.300 1.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.37701E-04 ppm1 8.208 ppm2 7.225 CV 1 ASSI { 562} (( segid " " and resid 299 and name HN )) (( segid " " and resid 300 and name HN )) 3.600 1.600 1.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.43385E-03 ppm1 8.214 ppm2 6.812 CV 1 ASSI { 563} (( segid " " and resid 299 and name HN )) (( segid " " and resid 336 and name HA )) 3.100 1.200 1.200 peak 563 spectrum 1 weight 0.10000E+01 volume 0.93658E-03 ppm1 8.216 ppm2 5.476 CV 1 ASSI { 596} (( segid " " and resid 301 and name HN )) (( segid " " and resid 335 and name HG )) 2.300 2.300 3.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.84053E-02 ppm1 8.069 ppm2 1.680 CV 1 ASSI { 597} (( segid " " and resid 301 and name HN )) (( segid " " and resid 301 and name HG2 )) 2.600 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.43947E-02 ppm1 8.073 ppm2 1.260 CV 1 ASSI { 603} (( segid " " and resid 302 and name HN )) (( segid " " and resid 302 and name HA )) 3.300 1.300 1.300 peak 603 spectrum 1 weight 0.10000E+01 volume 0.81648E-03 ppm1 7.935 ppm2 4.727 CV 1 ASSI { 607} (( segid " " and resid 302 and name HN )) (( segid " " and resid 302 and name HG2 )) 3.300 1.400 1.400 peak 607 spectrum 1 weight 0.10000E+01 volume 0.15769E-02 ppm1 7.935 ppm2 2.352 CV 1 ASSI { 612} (( segid " " and resid 304 and name HN )) (( segid " " and resid 303 and name HN )) 5.100 3.200 0.900 peak 612 spectrum 1 weight 0.10000E+01 volume 0.15930E-03 ppm1 8.770 ppm2 8.118 CV 1 ASSI { 616} (( segid " " and resid 304 and name HN )) (( segid " " and resid 304 and name HA )) 3.300 1.400 1.400 peak 616 spectrum 1 weight 0.10000E+01 volume 0.74046E-03 ppm1 8.764 ppm2 3.688 CV 1 ASSI { 617} (( segid " " and resid 304 and name HN )) (( segid " " and resid 303 and name HB2 )) 3.600 1.600 1.600 peak 617 spectrum 1 weight 0.10000E+01 volume 0.12808E-02 ppm1 8.764 ppm2 2.474 CV 1 ASSI { 619} (( segid " " and resid 304 and name HN )) (( segid " " and resid 304 and name HB )) 2.000 0.500 0.500 peak 619 spectrum 1 weight 0.10000E+01 volume 0.12808E-01 ppm1 8.766 ppm2 1.924 CV 1 ASSI { 628} (( segid " " and resid 305 and name HN )) (( segid " " and resid 304 and name HB )) 3.500 1.500 1.500 peak 628 spectrum 1 weight 0.10000E+01 volume 0.20893E-02 ppm1 8.854 ppm2 1.901 CV 1 ASSI { 636} (( segid " " and resid 307 and name HN )) (( segid " " and resid 306 and name HA2 )) 3.000 1.100 1.100 peak 636 spectrum 1 weight 0.10000E+01 volume 0.23454E-02 ppm1 8.413 ppm2 3.551 CV 1 ASSI { 637} (( segid " " and resid 316 and name HN )) (( segid " " and resid 324 and name HA )) 3.600 1.600 1.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.91254E-03 ppm1 8.407 ppm2 4.666 CV 1 ASSI { 640} (( segid " " and resid 307 and name HN )) (( segid " " and resid 302 and name HB2 )) 3.300 3.300 2.700 peak 640 spectrum 1 weight 0.10000E+01 volume 0.13528E-02 ppm1 8.409 ppm2 2.581 CV 1 ASSI { 653} (( segid " " and resid 308 and name HN )) (( segid " " and resid 307 and name HN )) 3.200 1.300 1.300 peak 653 spectrum 1 weight 0.10000E+01 volume 0.13608E-02 ppm1 7.067 ppm2 8.393 CV 1 ASSI { 654} (( segid " " and resid 308 and name HN )) (( segid " " and resid 307 and name HA )) 3.000 1.100 1.100 peak 654 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 7.068 ppm2 4.628 CV 1 ASSI { 655} (( segid " " and resid 308 and name HN )) (( segid " " and resid 333 and name HA )) 2.500 0.800 0.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.23294E-02 ppm1 7.067 ppm2 4.261 CV 1 ASSI { 656} (( segid " " and resid 308 and name HN )) (( segid " " and resid 309 and name HB2 )) 3.500 3.500 2.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.49711E-03 ppm1 7.067 ppm2 3.566 CV 1 ASSI { 657} (( segid " " and resid 308 and name HN )) (( segid " " and resid 307 and name HG )) 2.200 0.600 0.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.46028E-02 ppm1 7.067 ppm2 1.557 CV 1 ASSI { 658} (( segid " " and resid 308 and name HN )) (( segid " " and resid 307 and name HB2 )) 3.800 1.800 1.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.72763E-03 ppm1 7.065 ppm2 1.153 CV 1 ASSI { 662} (( segid " " and resid 309 and name HN )) (( segid " " and resid 308 and name HN )) 4.700 2.800 1.300 peak 662 spectrum 1 weight 0.10000E+01 volume 0.19932E-03 ppm1 9.270 ppm2 7.072 CV 1 ASSI { 663} (( segid " " and resid 309 and name HN )) (( segid " " and resid 309 and name HA )) 4.000 2.000 2.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.17050E-03 ppm1 9.270 ppm2 5.888 CV 1 ASSI { 674} (( segid " " and resid 311 and name HN )) (( segid " " and resid 362 and name HN )) 3.900 1.900 1.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.26416E-03 ppm1 9.138 ppm2 8.897 CV 1 ASSI { 676} (( segid " " and resid 311 and name HN )) (( segid " " and resid 312 and name HN )) 4.800 2.900 1.200 peak 676 spectrum 1 weight 0.10000E+01 volume 0.17771E-03 ppm1 9.140 ppm2 8.577 CV 1 ASSI { 681} (( segid " " and resid 311 and name HN )) (( segid " " and resid 310 and name HA )) 2.900 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.10727E-02 ppm1 9.136 ppm2 5.674 CV 1 ASSI { 682} (( segid " " and resid 311 and name HN )) (( segid " " and resid 311 and name HA )) 2.300 0.700 0.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.55232E-02 ppm1 9.136 ppm2 4.735 CV 1 ASSI { 687} (( segid " " and resid 311 and name HN )) (( segid " " and resid 311 and name HB2 )) 3.400 1.500 1.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.52111E-03 ppm1 9.134 ppm2 2.612 CV 1 ASSI { 688} (( segid " " and resid 311 and name HN )) (( segid " " and resid 299 and name HG )) 5.300 3.500 0.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.18331E-03 ppm1 9.134 ppm2 1.848 CV 1 ASSI { 689} (( segid " " and resid 311 and name HN )) (( segid " " and resid 310 and name HB2 )) 3.300 1.400 1.400 peak 689 spectrum 1 weight 0.10000E+01 volume 0.12007E-02 ppm1 9.133 ppm2 1.557 CV 1 ASSI { 690} (( segid " " and resid 311 and name HN )) (( segid " " and resid 330 and name HB )) 4.500 2.500 1.500 peak 690 spectrum 1 weight 0.10000E+01 volume 0.24095E-03 ppm1 9.134 ppm2 1.206 CV 1 ASSI { 697} (( segid " " and resid 377 and name HN )) (( segid " " and resid 377 and name HA )) 3.100 1.200 1.200 peak 697 spectrum 1 weight 0.10000E+01 volume 0.89655E-03 ppm1 8.569 ppm2 5.682 CV 1 ASSI { 704} (( segid " " and resid 312 and name HN )) (( segid " " and resid 312 and name HB )) 3.300 1.400 1.400 peak 704 spectrum 1 weight 0.10000E+01 volume 0.66599E-03 ppm1 8.573 ppm2 1.535 CV 1 ASSI { 705} (( segid " " and resid 312 and name HN )) (( segid " " and resid 330 and name HB )) 4.300 2.300 1.700 peak 705 spectrum 1 weight 0.10000E+01 volume 0.38345E-03 ppm1 8.575 ppm2 1.206 CV 1 ASSI { 716} (( segid " " and resid 313 and name HN )) (( segid " " and resid 362 and name HB2 )) 3.800 1.800 1.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.49391E-03 ppm1 9.045 ppm2 1.076 CV 1 OR { 716} (( segid " " and resid 313 and name HN )) (( segid " " and resid 362 and name HG )) ASSI { 726} (( segid " " and resid 343 and name HN )) (( segid " " and resid 342 and name HA )) 2.500 0.800 0.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.24895E-02 ppm1 8.777 ppm2 4.758 CV 1 ASSI { 729} (( segid " " and resid 314 and name HN )) (( segid " " and resid 313 and name HE2 )) 4.300 2.300 1.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.27377E-03 ppm1 8.802 ppm2 2.986 CV 1 ASSI { 731} (( segid " " and resid 314 and name HN )) (( segid " " and resid 325 and name HG2 )) 2.900 1.000 1.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.17771E-02 ppm1 8.795 ppm2 1.038 CV 1 ASSI { 735} (( segid " " and resid 315 and name HN )) (( segid " " and resid 316 and name HN )) 4.000 2.000 2.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.45068E-03 ppm1 9.068 ppm2 8.332 CV 1 ASSI { 737} (( segid " " and resid 315 and name HN )) (( segid " " and resid 315 and name HA )) 3.100 1.200 1.200 peak 737 spectrum 1 weight 0.10000E+01 volume 0.92055E-03 ppm1 9.068 ppm2 5.353 CV 1 ASSI { 741} (( segid " " and resid 315 and name HN )) (( segid " " and resid 315 and name HB2 )) 3.300 1.400 1.400 peak 741 spectrum 1 weight 0.10000E+01 volume 0.12328E-02 ppm1 9.075 ppm2 2.642 CV 1 ASSI { 746} (( segid " " and resid 315 and name HN )) (( segid " " and resid 316 and name HB2 )) 3.300 3.300 2.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.19452E-02 ppm1 9.075 ppm2 0.381 CV 1 ASSI { 750} (( segid " " and resid 307 and name HN )) (( segid " " and resid 303 and name HN )) 3.100 1.200 1.200 peak 750 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 8.363 ppm2 8.095 CV 1 ASSI { 752} (( segid " " and resid 316 and name HN )) (( segid " " and resid 324 and name HN )) 3.500 1.600 1.600 peak 752 spectrum 1 weight 0.10000E+01 volume 0.38503E-03 ppm1 8.359 ppm2 7.400 CV 1 ASSI { 755} (( segid " " and resid 316 and name HN )) (( segid " " and resid 315 and name HA )) 2.800 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.15049E-02 ppm1 8.359 ppm2 5.346 CV 1 ASSI { 761} (( segid " " and resid 316 and name HN )) (( segid " " and resid 315 and name HB2 )) 3.100 1.200 1.200 peak 761 spectrum 1 weight 0.10000E+01 volume 0.16170E-02 ppm1 8.363 ppm2 2.657 CV 1 ASSI { 762} (( segid " " and resid 316 and name HN )) (( segid " " and resid 317 and name HG2 )) 6.000 4.800 0.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.30098E-04 ppm1 8.357 ppm2 2.253 CV 1 ASSI { 763} (( segid " " and resid 316 and name HN )) (( segid " " and resid 324 and name HB2 )) 2.900 2.900 3.100 peak 763 spectrum 1 weight 0.10000E+01 volume 0.25616E-02 ppm1 8.371 ppm2 1.894 CV 1 OR { 763} (( segid " " and resid 316 and name HN )) (( segid " " and resid 324 and name HD2 )) ASSI { 767} (( segid " " and resid 316 and name HN )) (( segid " " and resid 316 and name HB2 )) 2.800 1.000 1.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.37624E-02 ppm1 8.363 ppm2 0.389 CV 1 ASSI { 769} (( segid " " and resid 317 and name HN )) (( segid " " and resid 315 and name HN )) 4.500 2.500 1.500 peak 769 spectrum 1 weight 0.10000E+01 volume 0.34821E-03 ppm1 9.251 ppm2 9.065 CV 1 ASSI { 771} (( segid " " and resid 349 and name HN )) (( segid " " and resid 351 and name HN )) 3.900 1.900 1.900 peak 771 spectrum 1 weight 0.10000E+01 volume 0.62919E-03 ppm1 9.247 ppm2 8.073 CV 1 ASSI { 772} (( segid " " and resid 317 and name HN )) (( segid " " and resid 321 and name HN )) 4.300 2.300 1.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.34981E-03 ppm1 9.245 ppm2 7.683 CV 1 ASSI { 773} (( segid " " and resid 349 and name HN )) ( segid " " and resid 349 and name HD% ) 3.800 1.800 1.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.51152E-03 ppm1 9.253 ppm2 7.301 CV 1 ASSI { 775} (( segid " " and resid 317 and name HN )) (( segid " " and resid 317 and name HA )) 3.900 1.900 1.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.21133E-03 ppm1 9.224 ppm2 5.369 CV 1 ASSI { 778} (( segid " " and resid 349 and name HN )) (( segid " " and resid 284 and name HA )) 3.400 3.400 2.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.12808E-02 ppm1 9.249 ppm2 3.818 CV 1 ASSI { 780} (( segid " " and resid 349 and name HN )) (( segid " " and resid 349 and name HB2 )) 2.400 0.700 0.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.67801E-02 ppm1 9.259 ppm2 2.963 CV 1 ASSI { 782} (( segid " " and resid 349 and name HN )) (( segid " " and resid 348 and name HB2 )) 2.400 0.700 0.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.34341E-02 ppm1 9.255 ppm2 1.909 CV 1 ASSI { 784} (( segid " " and resid 317 and name HN )) (( segid " " and resid 316 and name HG )) 3.900 1.900 1.900 peak 784 spectrum 1 weight 0.10000E+01 volume 0.52031E-03 ppm1 9.230 ppm2 1.168 CV 1 ASSI { 786} (( segid " " and resid 317 and name HN )) (( segid " " and resid 316 and name HB2 )) 3.400 1.500 1.500 peak 786 spectrum 1 weight 0.10000E+01 volume 0.87254E-03 ppm1 9.230 ppm2 0.374 CV 1 ASSI { 791} (( segid " " and resid 356 and name HN )) (( segid " " and resid 357 and name HN )) 3.100 1.200 1.200 peak 791 spectrum 1 weight 0.10000E+01 volume 0.25695E-02 ppm1 8.520 ppm2 8.340 CV 1 ASSI { 793} (( segid " " and resid 318 and name HN )) (( segid " " and resid 321 and name HN )) 3.300 1.300 1.300 peak 793 spectrum 1 weight 0.10000E+01 volume 0.57956E-03 ppm1 8.506 ppm2 7.637 CV 1 ASSI { 795} (( segid " " and resid 318 and name HN )) (( segid " " and resid 317 and name HA )) 2.700 0.900 0.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 8.510 ppm2 5.361 CV 1 ASSI { 796} (( segid " " and resid 356 and name HN )) (( segid " " and resid 355 and name HA )) 2.900 1.100 1.100 peak 796 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 8.523 ppm2 4.788 CV 1 ASSI { 799} (( segid " " and resid 356 and name HN )) (( segid " " and resid 379 and name HA2 )) 6.000 5.700 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.22414E-04 ppm1 8.527 ppm2 3.597 CV 1 OR { 799} (( segid " " and resid 356 and name HN )) (( segid " " and resid 379 and name HA1 )) ASSI { 809} (( segid " " and resid 319 and name HN )) (( segid " " and resid 318 and name HN )) 5.400 3.700 0.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.84850E-04 ppm1 9.451 ppm2 8.500 CV 1 ASSI { 810} (( segid " " and resid 319 and name HN )) (( segid " " and resid 318 and name HA )) 2.200 0.600 0.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.42668E-02 ppm1 9.450 ppm2 4.338 CV 1 ASSI { 811} (( segid " " and resid 319 and name HN )) (( segid " " and resid 320 and name HA2 )) 5.300 3.500 0.700 peak 811 spectrum 1 weight 0.10000E+01 volume 0.19132E-03 ppm1 9.455 ppm2 3.933 CV 1 ASSI { 812} (( segid " " and resid 319 and name HN )) (( segid " " and resid 320 and name HA1 )) 4.200 2.300 1.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.63320E-03 ppm1 9.451 ppm2 3.536 CV 1 ASSI { 814} (( segid " " and resid 319 and name HN )) (( segid " " and resid 319 and name HB2 )) 3.500 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.60195E-03 ppm1 9.453 ppm2 2.520 CV 1 ASSI { 815} (( segid " " and resid 319 and name HN )) (( segid " " and resid 355 and name HB )) 5.600 3.900 0.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.15769E-03 ppm1 9.442 ppm2 2.123 CV 1 ASSI { 816} (( segid " " and resid 319 and name HN )) (( segid " " and resid 318 and name HB2 )) 2.900 1.100 1.100 peak 816 spectrum 1 weight 0.10000E+01 volume 0.25135E-02 ppm1 9.448 ppm2 1.832 CV 1 ASSI { 818} (( segid " " and resid 319 and name HN )) (( segid " " and resid 421 and name HD2 )) 5.100 3.200 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.60596E-04 ppm1 9.442 ppm2 1.588 CV 1 OR { 818} (( segid " " and resid 319 and name HN )) (( segid " " and resid 421 and name HB2 )) ASSI { 819} (( segid " " and resid 320 and name HN )) (( segid " " and resid 319 and name HN )) 3.000 1.100 1.100 peak 819 spectrum 1 weight 0.10000E+01 volume 0.99260E-03 ppm1 8.953 ppm2 9.440 CV 1 ASSI { 820} (( segid " " and resid 320 and name HN )) (( segid " " and resid 321 and name HN )) 2.800 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.15129E-02 ppm1 8.951 ppm2 7.630 CV 1 ASSI { 822} (( segid " " and resid 320 and name HN )) (( segid " " and resid 319 and name HA )) 2.400 0.700 0.700 peak 822 spectrum 1 weight 0.10000E+01 volume 0.56434E-02 ppm1 8.953 ppm2 4.277 CV 1 ASSI { 823} (( segid " " and resid 320 and name HN )) (( segid " " and resid 320 and name HA2 )) 2.200 0.600 0.600 peak 823 spectrum 1 weight 0.10000E+01 volume 0.55155E-02 ppm1 8.953 ppm2 3.933 CV 1 ASSI { 824} (( segid " " and resid 320 and name HN )) (( segid " " and resid 320 and name HA1 )) 2.400 0.700 0.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.88052E-02 ppm1 8.953 ppm2 3.543 CV 1 ASSI { 826} (( segid " " and resid 320 and name HN )) (( segid " " and resid 319 and name HB2 )) 3.500 1.500 1.500 peak 826 spectrum 1 weight 0.10000E+01 volume 0.71403E-03 ppm1 8.953 ppm2 2.543 CV 1 ASSI { 827} (( segid " " and resid 320 and name HN )) (( segid " " and resid 355 and name HB )) 4.700 2.800 1.300 peak 827 spectrum 1 weight 0.10000E+01 volume 0.22173E-03 ppm1 8.953 ppm2 2.161 CV 1 ASSI { 828} (( segid " " and resid 320 and name HN )) (( segid " " and resid 317 and name HB2 )) 3.200 1.300 1.300 peak 828 spectrum 1 weight 0.10000E+01 volume 0.11287E-02 ppm1 8.957 ppm2 1.817 CV 1 ASSI { 830} (( segid " " and resid 320 and name HN )) (( segid " " and resid 421 and name HG2 )) 3.600 1.600 1.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.72205E-03 ppm1 8.955 ppm2 1.244 CV 1 ASSI { 833} (( segid " " and resid 321 and name HN )) (( segid " " and resid 356 and name HN )) 2.100 2.100 3.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.24095E-02 ppm1 7.662 ppm2 8.569 CV 1 ASSI { 843} (( segid " " and resid 321 and name HN )) (( segid " " and resid 320 and name HA2 )) 3.200 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.10486E-02 ppm1 7.664 ppm2 3.910 CV 1 ASSI { 844} (( segid " " and resid 321 and name HN )) (( segid " " and resid 320 and name HA1 )) 3.000 1.100 1.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.23694E-02 ppm1 7.662 ppm2 3.513 CV 1 ASSI { 845} (( segid " " and resid 321 and name HN )) (( segid " " and resid 321 and name HE2 )) 3.800 1.800 1.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.47869E-03 ppm1 7.668 ppm2 2.978 CV 1 ASSI { 846} (( segid " " and resid 321 and name HN )) (( segid " " and resid 319 and name HB2 )) 3.300 1.300 1.300 peak 846 spectrum 1 weight 0.10000E+01 volume 0.92857E-03 ppm1 7.668 ppm2 2.543 CV 1 ASSI { 848} (( segid " " and resid 321 and name HN )) (( segid " " and resid 321 and name HB2 )) 1.900 0.500 0.500 peak 848 spectrum 1 weight 0.10000E+01 volume 0.12247E-01 ppm1 7.658 ppm2 1.649 CV 1 ASSI { 853} (( segid " " and resid 322 and name HN )) (( segid " " and resid 318 and name HN )) 5.200 3.400 0.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10006E-03 ppm1 8.705 ppm2 8.508 CV 1 ASSI { 856} (( segid " " and resid 322 and name HN )) (( segid " " and resid 321 and name HN )) 4.300 2.300 1.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.35222E-03 ppm1 8.701 ppm2 7.645 CV 1 ASSI { 860} (( segid " " and resid 322 and name HN )) (( segid " " and resid 321 and name HA )) 2.400 0.700 0.700 peak 860 spectrum 1 weight 0.10000E+01 volume 0.33380E-02 ppm1 8.709 ppm2 4.429 CV 1 ASSI { 861} (( segid " " and resid 322 and name HN )) (( segid " " and resid 322 and name HD2 )) 2.900 1.000 1.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.21453E-02 ppm1 8.724 ppm2 2.711 CV 1 ASSI { 868} (( segid " " and resid 323 and name HN )) (( segid " " and resid 318 and name HN )) 5.400 3.700 0.600 peak 868 spectrum 1 weight 0.10000E+01 volume 0.86453E-04 ppm1 9.270 ppm2 8.493 CV 1 ASSI { 870} (( segid " " and resid 323 and name HN )) (( segid " " and resid 318 and name HE22)) 5.700 4.000 0.300 peak 870 spectrum 1 weight 0.10000E+01 volume 0.13848E-03 ppm1 9.283 ppm2 6.812 CV 1 ASSI { 871} (( segid " " and resid 323 and name HN )) (( segid " " and resid 317 and name HA )) 3.900 1.900 1.900 peak 871 spectrum 1 weight 0.10000E+01 volume 0.22093E-03 ppm1 9.264 ppm2 5.376 CV 1 ASSI { 872} (( segid " " and resid 323 and name HN )) (( segid " " and resid 323 and name HA )) 2.600 0.800 0.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.27537E-02 ppm1 9.270 ppm2 4.338 CV 1 ASSI { 874} (( segid " " and resid 323 and name HN )) (( segid " " and resid 315 and name HB2 )) 4.700 2.800 1.300 peak 874 spectrum 1 weight 0.10000E+01 volume 0.13048E-03 ppm1 9.280 ppm2 2.650 CV 1 ASSI { 876} (( segid " " and resid 323 and name HN )) (( segid " " and resid 324 and name HB2 )) 4.300 2.300 1.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.31219E-03 ppm1 9.276 ppm2 1.840 CV 1 ASSI { 877} (( segid " " and resid 323 and name HN )) (( segid " " and resid 323 and name HB2 )) 2.700 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.33861E-02 ppm1 9.272 ppm2 1.542 CV 1 OR { 877} (( segid " " and resid 323 and name HN )) (( segid " " and resid 323 and name HG )) ASSI { 878} (( segid " " and resid 323 and name HN )) (( segid " " and resid 316 and name HG )) 4.400 2.400 1.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.19612E-03 ppm1 9.278 ppm2 1.122 CV 1 ASSI { 883} (( segid " " and resid 324 and name HN )) (( segid " " and resid 323 and name HN )) 2.600 0.800 0.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.20012E-02 ppm1 7.410 ppm2 9.241 CV 1 ASSI { 886} (( segid " " and resid 324 and name HN )) (( segid " " and resid 324 and name HA )) 3.100 1.200 1.200 peak 886 spectrum 1 weight 0.10000E+01 volume 0.84850E-03 ppm1 7.412 ppm2 4.674 CV 1 ASSI { 887} (( segid " " and resid 324 and name HN )) (( segid " " and resid 323 and name HA )) 2.900 1.000 1.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.26016E-02 ppm1 7.410 ppm2 4.353 CV 1 ASSI { 888} (( segid " " and resid 324 and name HN )) (( segid " " and resid 324 and name HE2 )) 5.100 3.200 0.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.14088E-03 ppm1 7.406 ppm2 3.093 CV 1 ASSI { 889} (( segid " " and resid 324 and name HN )) (( segid " " and resid 315 and name HB2 )) 4.200 2.200 1.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.20412E-03 ppm1 7.410 ppm2 2.696 CV 1 ASSI { 890} (( segid " " and resid 324 and name HN )) (( segid " " and resid 324 and name HB2 )) 2.800 0.900 0.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.15449E-02 ppm1 7.410 ppm2 1.832 CV 1 ASSI { 891} (( segid " " and resid 324 and name HN )) (( segid " " and resid 323 and name HB2 )) 2.600 0.800 0.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.75965E-02 ppm1 7.405 ppm2 1.557 CV 1 OR { 891} (( segid " " and resid 324 and name HN )) (( segid " " and resid 323 and name HG )) ASSI { 892} (( segid " " and resid 324 and name HN )) (( segid " " and resid 316 and name HG )) 2.800 1.000 1.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.15129E-02 ppm1 7.410 ppm2 1.145 CV 1 ASSI { 896} (( segid " " and resid 324 and name HN )) ( segid " " and resid 345 and name HD% ) 3.100 3.100 2.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.23054E-02 ppm1 7.408 ppm2 7.080 CV 1 ASSI { 897} (( segid " " and resid 324 and name HN )) (( segid " " and resid 315 and name HD2 )) 3.400 1.500 1.500 peak 897 spectrum 1 weight 0.10000E+01 volume 0.76528E-03 ppm1 7.405 ppm2 6.942 CV 1 ASSI { 899} (( segid " " and resid 325 and name HN )) (( segid " " and resid 324 and name HN )) 4.600 2.600 1.400 peak 899 spectrum 1 weight 0.10000E+01 volume 0.22574E-03 ppm1 8.476 ppm2 7.385 CV 1 ASSI { 901} (( segid " " and resid 325 and name HN )) ( segid " " and resid 345 and name HE% ) 4.900 3.000 1.100 peak 901 spectrum 1 weight 0.10000E+01 volume 0.11287E-03 ppm1 8.472 ppm2 6.606 CV 1 ASSI { 902} (( segid " " and resid 325 and name HN )) (( segid " " and resid 315 and name HA )) 4.100 2.100 1.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.59475E-03 ppm1 8.476 ppm2 5.384 CV 1 ASSI { 904} (( segid " " and resid 325 and name HN )) (( segid " " and resid 324 and name HA )) 2.500 0.800 0.800 peak 904 spectrum 1 weight 0.10000E+01 volume 0.38345E-02 ppm1 8.480 ppm2 4.658 CV 1 ASSI { 907} (( segid " " and resid 325 and name HN )) (( segid " " and resid 324 and name HE2 )) 5.900 4.400 0.100 peak 907 spectrum 1 weight 0.10000E+01 volume 0.86453E-04 ppm1 8.480 ppm2 3.077 CV 1 ASSI { 908} (( segid " " and resid 325 and name HN )) (( segid " " and resid 315 and name HB2 )) 4.100 2.100 1.900 peak 908 spectrum 1 weight 0.10000E+01 volume 0.39385E-03 ppm1 8.470 ppm2 2.703 CV 1 ASSI { 909} (( segid " " and resid 325 and name HN )) (( segid " " and resid 324 and name HB2 )) 2.900 1.000 1.000 peak 909 spectrum 1 weight 0.10000E+01 volume 0.41624E-02 ppm1 8.476 ppm2 1.901 CV 1 OR { 909} (( segid " " and resid 325 and name HN )) (( segid " " and resid 324 and name HD2 )) ASSI { 914} (( segid " " and resid 326 and name HN )) (( segid " " and resid 315 and name HN )) 5.400 3.600 0.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.65319E-04 ppm1 8.858 ppm2 9.096 CV 1 ASSI { 915} (( segid " " and resid 326 and name HN )) (( segid " " and resid 327 and name HN )) 3.400 1.400 1.400 peak 915 spectrum 1 weight 0.10000E+01 volume 0.10887E-02 ppm1 8.860 ppm2 8.347 CV 1 ASSI { 917} (( segid " " and resid 326 and name HN )) (( segid " " and resid 325 and name HA )) 2.500 0.800 0.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.28497E-02 ppm1 8.858 ppm2 5.369 CV 1 ASSI { 919} (( segid " " and resid 326 and name HN )) (( segid " " and resid 326 and name HA )) 2.700 0.900 0.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.21693E-02 ppm1 8.856 ppm2 4.674 CV 1 ASSI { 921} (( segid " " and resid 326 and name HN )) (( segid " " and resid 315 and name HB2 )) 3.900 1.900 1.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.10566E-02 ppm1 8.856 ppm2 2.688 CV 1 ASSI { 922} (( segid " " and resid 326 and name HN )) (( segid " " and resid 325 and name HB2 )) 3.200 1.300 1.300 peak 922 spectrum 1 weight 0.10000E+01 volume 0.33540E-02 ppm1 8.856 ppm2 1.565 CV 1 ASSI { 923} (( segid " " and resid 326 and name HN )) (( segid " " and resid 325 and name HG2 )) 2.400 0.700 0.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.44186E-02 ppm1 8.852 ppm2 1.053 CV 1 ASSI { 927} (( segid " " and resid 327 and name HN )) (( segid " " and resid 314 and name HN )) 3.700 1.700 1.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.66760E-03 ppm1 8.317 ppm2 8.783 CV 1 ASSI { 933} (( segid " " and resid 327 and name HN )) (( segid " " and resid 326 and name HA )) 2.500 0.800 0.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.39385E-02 ppm1 8.312 ppm2 4.636 CV 1 ASSI { 942} (( segid " " and resid 328 and name HN )) (( segid " " and resid 327 and name HN )) 3.900 1.900 1.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.69323E-03 ppm1 8.646 ppm2 8.302 CV 1 ASSI { 950} (( segid " " and resid 328 and name HN )) (( segid " " and resid 327 and name HB2 )) 3.000 1.100 1.100 peak 950 spectrum 1 weight 0.10000E+01 volume 0.15769E-02 ppm1 8.653 ppm2 1.741 CV 1 ASSI { 951} (( segid " " and resid 328 and name HN )) (( segid " " and resid 327 and name HG2 )) 3.100 1.200 1.200 peak 951 spectrum 1 weight 0.10000E+01 volume 0.18011E-02 ppm1 8.653 ppm2 1.451 CV 1 ASSI { 955} (( segid " " and resid 329 and name HN )) (( segid " " and resid 328 and name HN )) 5.700 4.100 0.300 peak 955 spectrum 1 weight 0.10000E+01 volume 0.54273E-04 ppm1 9.417 ppm2 8.622 CV 1 ASSI { 956} (( segid " " and resid 329 and name HN )) (( segid " " and resid 330 and name HN )) 5.100 3.200 0.900 peak 956 spectrum 1 weight 0.10000E+01 volume 0.14009E-03 ppm1 9.415 ppm2 8.095 CV 1 ASSI { 959} (( segid " " and resid 329 and name HN )) (( segid " " and resid 328 and name HB )) 2.900 1.100 1.100 peak 959 spectrum 1 weight 0.10000E+01 volume 0.20092E-02 ppm1 9.419 ppm2 4.788 CV 1 ASSI { 960} (( segid " " and resid 329 and name HN )) (( segid " " and resid 329 and name HB )) 3.600 1.600 1.600 peak 960 spectrum 1 weight 0.10000E+01 volume 0.43546E-03 ppm1 9.417 ppm2 4.254 CV 1 ASSI { 961} (( segid " " and resid 329 and name HN )) (( segid " " and resid 341 and name HB2 )) 3.100 3.100 2.900 peak 961 spectrum 1 weight 0.10000E+01 volume 0.21213E-02 ppm1 9.417 ppm2 1.367 CV 1 ASSI { 966} (( segid " " and resid 330 and name HN )) ( segid " " and resid 339 and name HD% ) 5.500 3.800 0.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.54993E-04 ppm1 8.067 ppm2 6.927 CV 1 ASSI { 967} (( segid " " and resid 330 and name HN )) (( segid " " and resid 311 and name HA )) 4.000 2.000 2.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.49391E-03 ppm1 8.073 ppm2 4.704 CV 1 ASSI { 970} (( segid " " and resid 330 and name HN )) (( segid " " and resid 331 and name HE2 )) 4.700 2.700 1.300 peak 970 spectrum 1 weight 0.10000E+01 volume 0.18171E-03 ppm1 8.075 ppm2 2.902 CV 1 ASSI { 973} (( segid " " and resid 330 and name HN )) (( segid " " and resid 330 and name HG12)) 3.000 1.100 1.100 peak 973 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 8.073 ppm2 0.435 CV 1 ASSI { 975} (( segid " " and resid 330 and name HN )) (( segid " " and resid 310 and name HB2 )) 4.400 2.400 1.600 peak 975 spectrum 1 weight 0.10000E+01 volume 0.21533E-03 ppm1 8.080 ppm2 1.626 CV 1 ASSI { 976} (( segid " " and resid 331 and name HN )) (( segid " " and resid 311 and name HN )) 4.400 2.500 1.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.27136E-03 ppm1 7.960 ppm2 9.104 CV 1 ASSI { 980} (( segid " " and resid 331 and name HN )) (( segid " " and resid 310 and name HA )) 5.100 3.300 0.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.13288E-03 ppm1 7.975 ppm2 5.728 CV 1 ASSI { 981} (( segid " " and resid 331 and name HN )) (( segid " " and resid 331 and name HA )) 3.200 1.300 1.300 peak 981 spectrum 1 weight 0.10000E+01 volume 0.70124E-03 ppm1 7.974 ppm2 4.666 CV 1 ASSI { 982} (( segid " " and resid 331 and name HN )) (( segid " " and resid 330 and name HA )) 2.500 0.800 0.800 peak 982 spectrum 1 weight 0.10000E+01 volume 0.21133E-02 ppm1 7.964 ppm2 4.254 CV 1 ASSI { 984} (( segid " " and resid 331 and name HN )) (( segid " " and resid 331 and name HE2 )) 4.000 2.000 2.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.62518E-03 ppm1 7.972 ppm2 2.925 CV 1 ASSI { 988} (( segid " " and resid 331 and name HN )) (( segid " " and resid 334 and name HG1 )) 4.400 2.400 1.600 peak 988 spectrum 1 weight 0.10000E+01 volume 0.13608E-02 ppm1 7.964 ppm2 0.756 CV 1 ASSI { 989} (( segid " " and resid 331 and name HN )) (( segid " " and resid 330 and name HG12)) 3.100 3.100 2.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.24014E-02 ppm1 7.964 ppm2 0.427 CV 1 ASSI { 997} (( segid " " and resid 332 and name HN )) (( segid " " and resid 337 and name HA )) 4.300 2.300 1.700 peak 997 spectrum 1 weight 0.10000E+01 volume 0.20333E-03 ppm1 7.996 ppm2 4.200 CV 1 ASSI { 998} (( segid " " and resid 332 and name HN )) (( segid " " and resid 332 and name HE2 )) 4.100 2.100 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.41065E-03 ppm1 8.002 ppm2 2.825 CV 1 ASSI { 999} (( segid " " and resid 332 and name HN )) (( segid " " and resid 333 and name HB2 )) 4.000 2.000 2.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.34741E-03 ppm1 8.008 ppm2 2.527 CV 1 ASSI { 1000} (( segid " " and resid 332 and name HN )) (( segid " " and resid 332 and name HB2 )) 2.100 0.600 0.600 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.96860E-02 ppm1 8.000 ppm2 1.603 CV 1 ASSI { 1002} (( segid " " and resid 332 and name HN )) (( segid " " and resid 334 and name HG1 )) 3.000 3.000 3.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.18331E-02 ppm1 7.996 ppm2 0.756 CV 1 ASSI { 1006} (( segid " " and resid 333 and name HN )) (( segid " " and resid 332 and name HN )) 4.300 2.300 1.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.39385E-03 ppm1 9.711 ppm2 8.004 CV 1 ASSI { 1007} (( segid " " and resid 333 and name HN )) (( segid " " and resid 309 and name HA )) 3.100 1.200 1.200 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.93658E-03 ppm1 9.709 ppm2 5.926 CV 1 ASSI { 1008} (( segid " " and resid 333 and name HN )) (( segid " " and resid 332 and name HA )) 2.500 0.800 0.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.27617E-02 ppm1 9.713 ppm2 4.636 CV 1 ASSI { 1009} (( segid " " and resid 333 and name HN )) (( segid " " and resid 333 and name HA )) 2.600 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.22093E-02 ppm1 9.719 ppm2 4.238 CV 1 ASSI { 1010} (( segid " " and resid 333 and name HN )) (( segid " " and resid 308 and name HB2 )) 4.400 2.400 1.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.30658E-03 ppm1 9.707 ppm2 3.650 CV 1 ASSI { 1012} (( segid " " and resid 333 and name HN )) (( segid " " and resid 364 and name HB2 )) 2.600 2.600 3.400 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.76847E-03 ppm1 9.704 ppm2 2.986 CV 1 ASSI { 1013} (( segid " " and resid 333 and name HN )) (( segid " " and resid 333 and name HB2 )) 3.300 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 9.711 ppm2 2.520 CV 1 ASSI { 1014} (( segid " " and resid 333 and name HN )) (( segid " " and resid 332 and name HB2 )) 3.000 1.100 1.100 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.29858E-02 ppm1 9.715 ppm2 1.611 CV 1 ASSI { 1017} (( segid " " and resid 334 and name HN )) (( segid " " and resid 333 and name HN )) 3.500 1.500 1.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.89655E-03 ppm1 8.642 ppm2 9.722 CV 1 ASSI { 1018} (( segid " " and resid 334 and name HN )) (( segid " " and resid 307 and name HN )) 2.500 2.500 3.500 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.91254E-03 ppm1 8.644 ppm2 8.424 CV 1 ASSI { 1020} (( segid " " and resid 334 and name HN )) (( segid " " and resid 308 and name HN )) 3.300 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.42425E-03 ppm1 8.644 ppm2 7.064 CV 1 ASSI { 1021} (( segid " " and resid 334 and name HN )) (( segid " " and resid 309 and name HA )) 3.200 1.300 1.300 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.10727E-02 ppm1 8.646 ppm2 5.903 CV 1 ASSI { 1024} (( segid " " and resid 334 and name HN )) (( segid " " and resid 333 and name HA )) 2.500 0.800 0.800 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.29138E-02 ppm1 8.646 ppm2 4.231 CV 1 ASSI { 1025} (( segid " " and resid 334 and name HN )) (( segid " " and resid 308 and name HB2 )) 4.500 2.600 1.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.88052E-04 ppm1 8.648 ppm2 3.612 CV 1 ASSI { 1029} (( segid " " and resid 334 and name HN )) (( segid " " and resid 333 and name HB2 )) 4.100 2.100 1.900 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.71804E-03 ppm1 8.644 ppm2 2.512 CV 1 ASSI { 1030} (( segid " " and resid 334 and name HN )) (( segid " " and resid 299 and name HG )) 4.700 2.700 1.300 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.12968E-03 ppm1 8.640 ppm2 1.832 CV 1 ASSI { 1031} (( segid " " and resid 334 and name HN )) (( segid " " and resid 307 and name HG )) 3.300 1.400 1.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.25455E-02 ppm1 8.642 ppm2 1.580 CV 1 ASSI { 1033} (( segid " " and resid 334 and name HN )) (( segid " " and resid 334 and name HG1 )) 2.300 0.700 0.700 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.40344E-02 ppm1 8.644 ppm2 0.756 CV 1 ASSI { 1037} (( segid " " and resid 335 and name HN )) (( segid " " and resid 334 and name HA )) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.38422E-02 ppm1 8.533 ppm2 4.582 CV 1 ASSI { 1038} (( segid " " and resid 335 and name HN )) (( segid " " and resid 337 and name HA )) 3.800 1.800 1.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.79410E-03 ppm1 8.543 ppm2 4.170 CV 1 ASSI { 1039} (( segid " " and resid 335 and name HN )) (( segid " " and resid 302 and name HB2 )) 2.800 2.800 3.200 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.41304E-03 ppm1 8.531 ppm2 2.627 CV 1 ASSI { 1041} (( segid " " and resid 335 and name HN )) (( segid " " and resid 335 and name HB2 )) 2.500 0.800 0.800 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.24495E-02 ppm1 8.535 ppm2 1.557 CV 1 ASSI { 1042} (( segid " " and resid 335 and name HN )) (( segid " " and resid 331 and name HG2 )) 5.200 3.300 0.800 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.14489E-03 ppm1 8.535 ppm2 1.199 CV 1 ASSI { 1043} (( segid " " and resid 335 and name HN )) (( segid " " and resid 334 and name HG1 )) 3.300 1.300 1.300 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.27617E-02 ppm1 8.539 ppm2 0.756 CV 1 ASSI { 1044} (( segid " " and resid 336 and name HN )) (( segid " " and resid 331 and name HN )) 6.000 5.900 0.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.15850E-04 ppm1 8.537 ppm2 7.996 CV 1 ASSI { 1045} (( segid " " and resid 336 and name HN )) (( segid " " and resid 336 and name HD21)) 4.000 2.000 2.000 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.30499E-03 ppm1 8.539 ppm2 7.591 CV 1 ASSI { 1049} (( segid " " and resid 336 and name HN )) (( segid " " and resid 336 and name HA )) 2.800 1.000 1.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.83251E-03 ppm1 8.537 ppm2 5.491 CV 1 ASSI { 1050} (( segid " " and resid 336 and name HN )) (( segid " " and resid 334 and name HA )) 4.300 2.300 1.700 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.10727E-02 ppm1 8.537 ppm2 4.567 CV 1 ASSI { 1051} (( segid " " and resid 336 and name HN )) (( segid " " and resid 334 and name HB )) 3.600 1.600 1.600 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.70602E-03 ppm1 8.544 ppm2 4.131 CV 1 ASSI { 1055} (( segid " " and resid 336 and name HN )) (( segid " " and resid 336 and name HB2 )) 2.600 2.600 3.400 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 8.543 ppm2 2.657 CV 1 ASSI { 1056} (( segid " " and resid 336 and name HN )) (( segid " " and resid 310 and name HG2 )) 3.700 1.700 1.700 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.82450E-03 ppm1 8.539 ppm2 1.909 CV 1 ASSI { 1057} (( segid " " and resid 336 and name HN )) (( segid " " and resid 310 and name HB2 )) 3.100 3.100 2.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.27537E-02 ppm1 8.535 ppm2 1.588 CV 1 ASSI { 1059} (( segid " " and resid 336 and name HN )) (( segid " " and resid 334 and name HG1 )) 3.600 1.600 1.600 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.30338E-02 ppm1 8.535 ppm2 0.740 CV 1 ASSI { 1069} (( segid " " and resid 338 and name HN )) (( segid " " and resid 337 and name HG2 )) 2.700 2.700 3.300 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.51553E-03 ppm1 8.052 ppm2 2.260 CV 1 ASSI { 1071} (( segid " " and resid 366 and name HN )) (( segid " " and resid 367 and name HG12)) 3.300 1.400 1.400 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.13368E-02 ppm1 8.067 ppm2 1.336 CV 1 ASSI { 1072} (( segid " " and resid 338 and name HN )) (( segid " " and resid 337 and name HB2 )) 3.800 1.800 1.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.60438E-03 ppm1 8.069 ppm2 1.092 CV 1 ASSI { 1073} (( segid " " and resid 338 and name HN )) (( segid " " and resid 334 and name HG1 )) 2.200 2.200 3.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.22254E-02 ppm1 8.056 ppm2 0.733 CV 1 ASSI { 1081} (( segid " " and resid 339 and name HN )) (( segid " " and resid 295 and name HA )) 3.300 1.400 1.400 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.54593E-03 ppm1 8.086 ppm2 5.056 CV 1 ASSI { 1086} (( segid " " and resid 339 and name HN )) (( segid " " and resid 339 and name HB2 )) 2.600 0.900 0.900 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.19852E-02 ppm1 8.084 ppm2 2.352 CV 1 ASSI { 1088} (( segid " " and resid 386 and name HN )) (( segid " " and resid 386 and name HG2 )) 2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.95257E-02 ppm1 8.096 ppm2 1.489 CV 1 ASSI { 1089} (( segid " " and resid 386 and name HN )) (( segid " " and resid 387 and name HB2 )) 4.100 2.100 1.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.59397E-03 ppm1 8.096 ppm2 1.153 CV 1 ASSI { 1093} (( segid " " and resid 341 and name HN )) (( segid " " and resid 293 and name HN )) 3.600 1.600 1.600 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.44667E-03 ppm1 7.531 ppm2 9.111 CV 1 ASSI { 1095} (( segid " " and resid 389 and name HN )) (( segid " " and resid 390 and name HD1 )) 4.500 2.600 1.500 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.37462E-03 ppm1 7.536 ppm2 7.080 CV 1 ASSI { 1096} (( segid " " and resid 341 and name HN )) ( segid " " and resid 339 and name HD% ) 3.300 3.300 2.700 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.18811E-02 ppm1 7.536 ppm2 6.927 CV 1 ASSI { 1098} (( segid " " and resid 341 and name HN )) (( segid " " and resid 339 and name HA )) 3.700 1.700 1.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.90456E-03 ppm1 7.531 ppm2 4.406 CV 1 ASSI { 1102} (( segid " " and resid 341 and name HN )) (( segid " " and resid 341 and name HG2 )) 2.700 0.900 0.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.23534E-02 ppm1 7.534 ppm2 2.146 CV 1 ASSI { 1104} (( segid " " and resid 341 and name HN )) (( segid " " and resid 341 and name HB2 )) 2.600 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.19852E-02 ppm1 7.534 ppm2 1.420 CV 1 ASSI { 1108} (( segid " " and resid 342 and name HN )) (( segid " " and resid 343 and name HN )) 4.300 2.300 1.700 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.28337E-03 ppm1 8.012 ppm2 8.798 CV 1 ASSI { 1109} (( segid " " and resid 342 and name HN )) (( segid " " and resid 341 and name HN )) 4.100 2.100 1.900 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.65959E-03 ppm1 8.014 ppm2 7.568 CV 1 ASSI { 1112} (( segid " " and resid 342 and name HN )) (( segid " " and resid 342 and name HA )) 2.800 1.000 1.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.14969E-02 ppm1 8.016 ppm2 4.765 CV 1 ASSI { 1115} (( segid " " and resid 342 and name HN )) (( segid " " and resid 342 and name HB2 )) 2.500 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.34821E-02 ppm1 8.014 ppm2 3.383 CV 1 ASSI { 1119} (( segid " " and resid 342 and name HN )) (( segid " " and resid 341 and name HB2 )) 3.600 1.600 1.600 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.12167E-02 ppm1 8.016 ppm2 1.382 CV 1 ASSI { 1124} (( segid " " and resid 343 and name HN )) ( segid " " and resid 343 and name HD% ) 2.800 1.000 1.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.25776E-02 ppm1 8.797 ppm2 6.965 CV 1 ASSI { 1126} (( segid " " and resid 343 and name HN )) (( segid " " and resid 290 and name HA )) 3.600 1.600 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.96860E-03 ppm1 8.793 ppm2 5.216 CV 1 ASSI { 1128} (( segid " " and resid 343 and name HN )) (( segid " " and resid 343 and name HA )) 2.300 0.700 0.700 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.64680E-02 ppm1 8.787 ppm2 4.467 CV 1 ASSI { 1129} (( segid " " and resid 343 and name HN )) (( segid " " and resid 342 and name HB2 )) 3.600 1.600 1.600 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.15529E-02 ppm1 8.791 ppm2 3.391 CV 1 ASSI { 1130} (( segid " " and resid 343 and name HN )) (( segid " " and resid 343 and name HB2 )) 2.900 1.100 1.100 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.12328E-02 ppm1 8.791 ppm2 2.520 CV 1 ASSI { 1131} (( segid " " and resid 343 and name HN )) (( segid " " and resid 292 and name HB )) 5.300 3.500 0.700 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.20172E-03 ppm1 8.789 ppm2 2.123 CV 1 ASSI { 1132} (( segid " " and resid 314 and name HN )) (( segid " " and resid 313 and name HB2 )) 2.700 0.900 0.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.35942E-02 ppm1 8.776 ppm2 1.397 CV 1 ASSI { 1137} (( segid " " and resid 344 and name HN )) (( segid " " and resid 343 and name HN )) 4.200 2.200 1.800 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 8.426 ppm2 8.806 CV 1 ASSI { 1142} (( segid " " and resid 344 and name HN )) ( segid " " and resid 343 and name HD% ) 2.400 0.700 0.700 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.56115E-02 ppm1 8.432 ppm2 7.003 CV 1 ASSI { 1143} (( segid " " and resid 344 and name HN )) (( segid " " and resid 344 and name HA )) 3.200 1.300 1.300 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.79729E-03 ppm1 8.430 ppm2 5.476 CV 1 ASSI { 1145} (( segid " " and resid 344 and name HN )) (( segid " " and resid 343 and name HA )) 2.500 0.800 0.800 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.40106E-02 ppm1 8.434 ppm2 4.506 CV 1 ASSI { 1147} (( segid " " and resid 344 and name HN )) (( segid " " and resid 344 and name HB2 )) 2.800 1.000 1.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.44826E-02 ppm1 8.436 ppm2 3.528 CV 1 ASSI { 1150} (( segid " " and resid 344 and name HN )) (( segid " " and resid 326 and name HD2 )) 4.100 2.100 1.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.29778E-03 ppm1 8.439 ppm2 2.107 CV 1 ASSI { 1153} (( segid " " and resid 363 and name HN )) (( segid " " and resid 362 and name HB2 )) 3.200 1.300 1.300 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.23855E-02 ppm1 8.432 ppm2 1.092 CV 1 OR { 1153} (( segid " " and resid 363 and name HN )) (( segid " " and resid 362 and name HG )) ASSI { 1158} (( segid " " and resid 345 and name HN )) (( segid " " and resid 344 and name HN )) 4.700 2.800 1.300 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.20813E-03 ppm1 9.438 ppm2 8.447 CV 1 ASSI { 1159} (( segid " " and resid 345 and name HN )) ( segid " " and resid 345 and name HD% ) 3.100 1.200 1.200 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.16730E-02 ppm1 9.442 ppm2 7.064 CV 1 ASSI { 1160} (( segid " " and resid 345 and name HN )) ( segid " " and resid 345 and name HE% ) 4.000 2.000 2.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.64040E-03 ppm1 9.444 ppm2 6.629 CV 1 ASSI { 1161} (( segid " " and resid 345 and name HN )) (( segid " " and resid 344 and name HA )) 2.500 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.28657E-02 ppm1 9.440 ppm2 5.506 CV 1 ASSI { 1162} (( segid " " and resid 345 and name HN )) (( segid " " and resid 345 and name HA )) 2.700 0.900 0.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.19132E-02 ppm1 9.442 ppm2 4.819 CV 1 ASSI { 1165} (( segid " " and resid 345 and name HN )) (( segid " " and resid 344 and name HB2 )) 2.700 0.900 0.900 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.26576E-02 ppm1 9.440 ppm2 3.536 CV 1 ASSI { 1167} (( segid " " and resid 345 and name HN )) (( segid " " and resid 345 and name HB2 )) 2.900 1.100 1.100 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.11447E-02 ppm1 9.442 ppm2 2.642 CV 1 ASSI { 1175} (( segid " " and resid 346 and name HN )) ( segid " " and resid 345 and name HD% ) 3.600 1.600 1.600 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.82450E-03 ppm1 9.001 ppm2 7.064 CV 1 ASSI { 1178} (( segid " " and resid 401 and name HN )) (( segid " " and resid 401 and name HA )) 2.800 1.000 1.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 9.008 ppm2 4.521 CV 1 ASSI { 1182} (( segid " " and resid 346 and name HN )) (( segid " " and resid 345 and name HB2 )) 3.600 1.600 1.600 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.11127E-02 ppm1 9.001 ppm2 2.650 CV 1 ASSI { 1192} (( segid " " and resid 347 and name HN )) (( segid " " and resid 288 and name HN )) 3.600 1.700 1.700 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.12648E-02 ppm1 8.460 ppm2 6.667 CV 1 ASSI { 1195} (( segid " " and resid 347 and name HN )) (( segid " " and resid 347 and name HA )) 3.000 1.100 1.100 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.84053E-03 ppm1 8.460 ppm2 4.438 CV 1 ASSI { 1200} (( segid " " and resid 307 and name HN )) (( segid " " and resid 307 and name HG )) 4.300 2.300 1.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.31139E-03 ppm1 8.453 ppm2 1.557 CV 1 ASSI { 1209} (( segid " " and resid 350 and name HN )) ( segid " " and resid 282 and name HE% ) 5.600 3.900 0.400 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.64198E-04 ppm1 9.119 ppm2 6.789 CV 1 ASSI { 1211} (( segid " " and resid 350 and name HN )) (( segid " " and resid 349 and name HA )) 3.100 1.200 1.200 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.99260E-03 ppm1 9.113 ppm2 4.620 CV 1 ASSI { 1212} (( segid " " and resid 350 and name HN )) (( segid " " and resid 351 and name HA )) 5.600 3.900 0.400 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.88853E-04 ppm1 9.112 ppm2 4.261 CV 1 ASSI { 1213} (( segid " " and resid 350 and name HN )) (( segid " " and resid 350 and name HA )) 2.400 0.700 0.700 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.48351E-02 ppm1 9.115 ppm2 3.879 CV 1 ASSI { 1215} (( segid " " and resid 350 and name HN )) (( segid " " and resid 349 and name HB2 )) 3.300 1.400 1.400 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.13208E-02 ppm1 9.115 ppm2 2.993 CV 1 ASSI { 1220} (( segid " " and resid 350 and name HN )) (( segid " " and resid 352 and name HB )) 3.900 1.900 1.900 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.63878E-03 ppm1 9.115 ppm2 1.428 CV 1 ASSI { 1234} (( segid " " and resid 351 and name HN )) (( segid " " and resid 348 and name HD2 )) 3.300 1.400 1.400 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.51391E-03 ppm1 8.071 ppm2 3.597 CV 1 ASSI { 1245} (( segid " " and resid 352 and name HN )) (( segid " " and resid 351 and name HN )) 2.700 0.900 0.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.14249E-02 ppm1 7.122 ppm2 8.057 CV 1 ASSI { 1250} (( segid " " and resid 352 and name HN )) (( segid " " and resid 352 and name HA )) 2.500 0.800 0.800 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.24895E-02 ppm1 7.116 ppm2 3.933 CV 1 ASSI { 1252} (( segid " " and resid 352 and name HN )) (( segid " " and resid 351 and name HB2 )) 3.300 1.400 1.400 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.91254E-03 ppm1 7.126 ppm2 2.191 CV 1 ASSI { 1254} (( segid " " and resid 352 and name HN )) (( segid " " and resid 352 and name HB )) 2.400 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.42425E-02 ppm1 7.120 ppm2 1.466 CV 1 ASSI { 1260} (( segid " " and resid 351 and name HN )) (( segid " " and resid 350 and name HN )) 2.400 0.700 0.700 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.34661E-02 ppm1 8.073 ppm2 9.134 CV 1 ASSI { 1264} (( segid " " and resid 351 and name HN )) (( segid " " and resid 348 and name HA )) 3.400 1.400 1.400 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.97658E-03 ppm1 8.086 ppm2 4.506 CV 1 ASSI { 1277} (( segid " " and resid 354 and name HN )) (( segid " " and resid 353 and name HN )) 2.800 1.000 1.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.15449E-02 ppm1 7.748 ppm2 8.065 CV 1 ASSI { 1279} (( segid " " and resid 354 and name HN )) (( segid " " and resid 353 and name HE22)) 2.600 0.800 0.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.12808E-01 ppm1 7.746 ppm2 6.828 CV 1 ASSI { 1283} (( segid " " and resid 354 and name HN )) (( segid " " and resid 354 and name HA )) 2.600 0.900 0.900 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.25055E-02 ppm1 7.748 ppm2 3.994 CV 1 ASSI { 1285} (( segid " " and resid 354 and name HN )) (( segid " " and resid 354 and name HE2 )) 2.800 2.800 3.200 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.55475E-02 ppm1 7.750 ppm2 2.795 CV 1 ASSI { 1287} (( segid " " and resid 354 and name HN )) (( segid " " and resid 354 and name HB2 )) 2.600 0.900 0.900 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.33540E-02 ppm1 7.746 ppm2 1.748 CV 1 ASSI { 1290} (( segid " " and resid 354 and name HN )) (( segid " " and resid 354 and name HG2 )) 2.400 0.700 0.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.42267E-02 ppm1 7.748 ppm2 0.870 CV 1 ASSI { 1293} (( segid " " and resid 355 and name HN )) (( segid " " and resid 353 and name HN )) 4.600 2.600 1.400 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.30899E-03 ppm1 6.904 ppm2 8.095 CV 1 ASSI { 1298} (( segid " " and resid 355 and name HN )) (( segid " " and resid 354 and name HA )) 3.200 1.200 1.200 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.84053E-03 ppm1 6.906 ppm2 4.002 CV 1 ASSI { 1299} (( segid " " and resid 355 and name HN )) (( segid " " and resid 355 and name HB )) 3.200 1.300 1.300 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.18571E-02 ppm1 6.902 ppm2 2.161 CV 1 ASSI { 1300} (( segid " " and resid 355 and name HN )) (( segid " " and resid 318 and name HB2 )) 4.400 2.400 1.600 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.41466E-03 ppm1 6.904 ppm2 1.802 CV 1 ASSI { 1303} (( segid " " and resid 355 and name HN )) (( segid " " and resid 354 and name HG2 )) 2.900 2.900 3.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.42024E-02 ppm1 6.904 ppm2 0.870 CV 1 ASSI { 1307} (( segid " " and resid 355 and name HN )) (( segid " " and resid 356 and name HN )) 4.600 2.600 1.400 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.22254E-03 ppm1 6.912 ppm2 8.516 CV 1 ASSI { 1312} (( segid " " and resid 318 and name HN )) (( segid " " and resid 318 and name HE22)) 4.800 2.900 1.200 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.26816E-03 ppm1 8.523 ppm2 6.843 CV 1 ASSI { 1323} (( segid " " and resid 280 and name HN )) (( segid " " and resid 389 and name HD1 )) 3.700 1.700 1.700 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.12808E-02 ppm1 8.298 ppm2 7.179 CV 1 ASSI { 1326} (( segid " " and resid 357 and name HN )) (( segid " " and resid 357 and name HA )) 2.700 0.900 0.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.21773E-02 ppm1 8.306 ppm2 4.536 CV 1 ASSI { 1327} (( segid " " and resid 357 and name HN )) (( segid " " and resid 358 and name HA )) 4.000 2.000 2.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.32580E-03 ppm1 8.281 ppm2 4.284 CV 1 ASSI { 1332} (( segid " " and resid 357 and name HN )) (( segid " " and resid 420 and name HE2 )) 5.000 3.100 1.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.13288E-03 ppm1 8.298 ppm2 2.795 CV 1 ASSI { 1339} (( segid " " and resid 357 and name HN )) (( segid " " and resid 316 and name HB2 )) 4.200 2.200 1.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.50432E-03 ppm1 8.302 ppm2 0.366 CV 1 ASSI { 1344} (( segid " " and resid 358 and name HN )) (( segid " " and resid 315 and name HE1 )) 5.500 3.800 0.500 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.87254E-04 ppm1 8.997 ppm2 7.492 CV 1 ASSI { 1346} (( segid " " and resid 358 and name HN )) (( segid " " and resid 358 and name HA )) 2.400 0.700 0.700 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.33540E-02 ppm1 9.003 ppm2 4.307 CV 1 ASSI { 1347} (( segid " " and resid 358 and name HN )) (( segid " " and resid 315 and name HB2 )) 3.600 1.600 1.600 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.99260E-03 ppm1 9.003 ppm2 2.657 CV 1 ASSI { 1348} (( segid " " and resid 358 and name HN )) (( segid " " and resid 358 and name HB )) 3.300 1.400 1.400 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.97658E-03 ppm1 9.003 ppm2 1.916 CV 1 ASSI { 1351} (( segid " " and resid 358 and name HN )) (( segid " " and resid 316 and name HB2 )) 2.200 2.200 3.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.21373E-02 ppm1 9.001 ppm2 0.351 CV 1 ASSI { 1355} (( segid " " and resid 359 and name HN )) (( segid " " and resid 378 and name HN )) 4.000 2.000 2.000 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.56354E-03 ppm1 9.129 ppm2 8.325 CV 1 ASSI { 1356} (( segid " " and resid 359 and name HN )) (( segid " " and resid 377 and name HA )) 3.300 1.400 1.400 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.10006E-02 ppm1 9.121 ppm2 5.674 CV 1 ASSI { 1357} (( segid " " and resid 359 and name HN )) (( segid " " and resid 357 and name HA )) 4.800 2.800 1.200 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.24655E-03 ppm1 9.125 ppm2 4.597 CV 1 ASSI { 1358} (( segid " " and resid 359 and name HN )) (( segid " " and resid 358 and name HA )) 2.500 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.29138E-02 ppm1 9.123 ppm2 4.299 CV 1 ASSI { 1361} (( segid " " and resid 359 and name HN )) (( segid " " and resid 377 and name HB2 )) 3.800 3.800 2.200 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.98459E-03 ppm1 9.121 ppm2 2.535 CV 1 ASSI { 1363} (( segid " " and resid 359 and name HN )) (( segid " " and resid 359 and name HB )) 2.700 0.900 0.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.17851E-02 ppm1 9.121 ppm2 1.611 CV 1 ASSI { 1364} (( segid " " and resid 359 and name HN )) (( segid " " and resid 375 and name HG2 )) 5.700 4.000 0.300 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.49310E-04 ppm1 9.115 ppm2 1.260 CV 1 ASSI { 1368} (( segid " " and resid 360 and name HN )) (( segid " " and resid 313 and name HN )) 3.400 1.400 1.400 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.54512E-03 ppm1 8.756 ppm2 9.058 CV 1 ASSI { 1370} (( segid " " and resid 360 and name HN )) (( segid " " and resid 359 and name HA )) 2.400 0.700 0.700 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.32500E-02 ppm1 8.762 ppm2 4.513 CV 1 ASSI { 1371} (( segid " " and resid 360 and name HN )) (( segid " " and resid 360 and name HB )) 4.000 2.000 2.000 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.26576E-03 ppm1 8.762 ppm2 3.620 CV 1 ASSI { 1372} (( segid " " and resid 360 and name HN )) (( segid " " and resid 359 and name HB )) 4.000 2.000 2.000 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.56434E-03 ppm1 8.760 ppm2 1.588 CV 1 ASSI { 1377} (( segid " " and resid 361 and name HN )) (( segid " " and resid 373 and name HN )) 5.200 3.300 0.800 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.93658E-04 ppm1 8.586 ppm2 9.508 CV 1 ASSI { 1379} (( segid " " and resid 361 and name HN )) (( segid " " and resid 362 and name HN )) 4.300 2.300 1.700 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.31779E-03 ppm1 8.585 ppm2 8.844 CV 1 ASSI { 1381} (( segid " " and resid 361 and name HN )) (( segid " " and resid 375 and name HA )) 3.600 1.600 1.600 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.49549E-03 ppm1 8.579 ppm2 5.529 CV 1 ASSI { 1382} (( segid " " and resid 361 and name HN )) (( segid " " and resid 360 and name HA )) 2.800 1.000 1.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 8.585 ppm2 4.773 CV 1 ASSI { 1389} (( segid " " and resid 362 and name HN )) (( segid " " and resid 310 and name HA )) 4.700 2.800 1.300 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.18811E-03 ppm1 8.875 ppm2 5.690 CV 1 ASSI { 1390} (( segid " " and resid 362 and name HN )) (( segid " " and resid 362 and name HA )) 3.300 1.400 1.400 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.58515E-03 ppm1 8.869 ppm2 4.773 CV 1 ASSI { 1392} (( segid " " and resid 362 and name HN )) (( segid " " and resid 372 and name HA )) 4.100 2.100 1.900 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.46590E-03 ppm1 8.871 ppm2 4.254 CV 1 ASSI { 1395} (( segid " " and resid 362 and name HN )) (( segid " " and resid 362 and name HB2 )) 2.500 0.800 0.800 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.32180E-02 ppm1 8.877 ppm2 1.061 CV 1 OR { 1395} (( segid " " and resid 362 and name HN )) (( segid " " and resid 362 and name HG )) ASSI { 1403} (( segid " " and resid 363 and name HN )) (( segid " " and resid 373 and name HG12)) 3.400 1.400 1.400 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.49792E-03 ppm1 8.382 ppm2 1.565 CV 1 ASSI { 1407} (( segid " " and resid 363 and name HN )) (( segid " " and resid 370 and name HB2 )) 3.800 1.800 1.800 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.45469E-03 ppm1 8.378 ppm2 2.841 CV 1 ASSI { 1409} (( segid " " and resid 363 and name HN )) (( segid " " and resid 373 and name HA )) 4.300 2.300 1.700 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.37701E-03 ppm1 8.392 ppm2 3.895 CV 1 ASSI { 1410} (( segid " " and resid 363 and name HN )) (( segid " " and resid 372 and name HA )) 4.500 2.500 1.500 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.36422E-03 ppm1 8.378 ppm2 4.185 CV 1 ASSI { 1412} (( segid " " and resid 363 and name HN )) (( segid " " and resid 363 and name HA )) 3.300 1.400 1.400 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.71242E-03 ppm1 8.388 ppm2 4.811 CV 1 ASSI { 1416} (( segid " " and resid 363 and name HN )) (( segid " " and resid 311 and name HN )) 4.000 2.000 2.000 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.34581E-03 ppm1 8.378 ppm2 9.172 CV 1 ASSI { 1422} (( segid " " and resid 282 and name HN )) (( segid " " and resid 281 and name HA )) 2.400 0.700 0.700 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.34581E-02 ppm1 9.377 ppm2 4.712 CV 1 ASSI { 1429} (( segid " " and resid 365 and name HN )) (( segid " " and resid 366 and name HN )) 6.000 6.000 0.000 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.14729E-04 ppm1 7.815 ppm2 8.004 CV 1 ASSI { 1431} (( segid " " and resid 365 and name HN )) ( segid " " and resid 364 and name HD% ) 3.900 1.900 1.900 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.42344E-03 ppm1 7.796 ppm2 6.782 CV 1 ASSI { 1432} (( segid " " and resid 365 and name HN )) ( segid " " and resid 364 and name HE% ) 3.600 3.600 2.400 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.10887E-03 ppm1 7.794 ppm2 6.423 CV 1 ASSI { 1433} (( segid " " and resid 365 and name HN )) (( segid " " and resid 365 and name HA )) 3.900 1.900 1.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.28017E-03 ppm1 7.800 ppm2 4.590 CV 1 ASSI { 1437} (( segid " " and resid 365 and name HN )) (( segid " " and resid 365 and name HB2 )) 3.200 1.300 1.300 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.11047E-02 ppm1 7.804 ppm2 2.382 CV 1 ASSI { 1438} (( segid " " and resid 365 and name HN )) (( segid " " and resid 369 and name HB2 )) 4.100 2.100 1.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.37543E-03 ppm1 7.800 ppm2 1.664 CV 1 OR { 1438} (( segid " " and resid 365 and name HN )) (( segid " " and resid 369 and name HD2 )) ASSI { 1443} (( segid " " and resid 399 and name HN )) (( segid " " and resid 399 and name HA )) 2.800 1.000 1.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.19772E-02 ppm1 7.991 ppm2 4.804 CV 1 ASSI { 1448} (( segid " " and resid 399 and name HN )) (( segid " " and resid 398 and name HB2 )) 5.800 4.200 0.200 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.69723E-04 ppm1 7.991 ppm2 2.275 CV 1 ASSI { 1456} (( segid " " and resid 367 and name HN )) ( segid " " and resid 364 and name HD% ) 3.300 3.300 2.700 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.16170E-03 ppm1 7.806 ppm2 6.820 CV 1 ASSI { 1457} (( segid " " and resid 367 and name HN )) (( segid " " and resid 365 and name HA )) 4.700 2.700 1.300 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.19772E-03 ppm1 7.798 ppm2 4.605 CV 1 ASSI { 1458} (( segid " " and resid 367 and name HN )) (( segid " " and resid 367 and name HA )) 3.000 1.100 1.100 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.16810E-02 ppm1 7.798 ppm2 4.070 CV 1 ASSI { 1462} (( segid " " and resid 367 and name HN )) (( segid " " and resid 367 and name HB )) 2.100 2.100 3.900 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.13448E-01 ppm1 7.804 ppm2 1.687 CV 1 ASSI { 1463} (( segid " " and resid 367 and name HN )) (( segid " " and resid 367 and name HG12)) 2.900 1.000 1.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.21133E-02 ppm1 7.802 ppm2 1.344 CV 1 ASSI { 1485} (( segid " " and resid 340 and name HN )) (( segid " " and resid 338 and name HA )) 5.200 3.400 0.800 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.30499E-03 ppm1 8.140 ppm2 4.490 CV 1 ASSI { 1489} (( segid " " and resid 388 and name HN )) (( segid " " and resid 388 and name HD2 )) 5.000 3.200 1.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.28177E-03 ppm1 8.132 ppm2 3.207 CV 1 ASSI { 1490} (( segid " " and resid 388 and name HN )) (( segid " " and resid 386 and name HB2 )) 4.400 2.400 1.600 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.39462E-03 ppm1 8.122 ppm2 2.848 CV 1 ASSI { 1491} (( segid " " and resid 340 and name HN )) (( segid " " and resid 295 and name HB2 )) 3.000 1.200 1.200 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.27777E-03 ppm1 8.132 ppm2 2.466 CV 1 ASSI { 1492} (( segid " " and resid 340 and name HN )) (( segid " " and resid 340 and name HB2 )) 3.600 1.700 1.700 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.46428E-03 ppm1 8.134 ppm2 2.207 CV 1 ASSI { 1493} (( segid " " and resid 388 and name HN )) (( segid " " and resid 388 and name HB2 )) 2.900 1.100 1.100 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.12968E-02 ppm1 8.134 ppm2 1.832 CV 1 ASSI { 1500} (( segid " " and resid 370 and name HN )) (( segid " " and resid 369 and name HN )) 5.400 3.700 0.600 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.12167E-03 ppm1 8.743 ppm2 8.057 CV 1 ASSI { 1502} (( segid " " and resid 370 and name HN )) (( segid " " and resid 370 and name HD21)) 4.100 2.100 1.900 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.19212E-03 ppm1 8.743 ppm2 7.171 CV 1 ASSI { 1506} (( segid " " and resid 370 and name HN )) (( segid " " and resid 370 and name HB2 )) 2.800 0.900 0.900 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.31219E-02 ppm1 8.741 ppm2 2.856 CV 1 ASSI { 1507} (( segid " " and resid 407 and name HN )) (( segid " " and resid 275 and name HB2 )) 4.000 2.000 2.000 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.45789E-03 ppm1 8.743 ppm2 2.314 CV 1 ASSI { 1508} (( segid " " and resid 407 and name HN )) (( segid " " and resid 276 and name HG12)) 6.000 6.000 0.000 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.16810E-05 ppm1 8.743 ppm2 1.901 CV 1 ASSI { 1509} (( segid " " and resid 370 and name HN )) (( segid " " and resid 369 and name HD2 )) 2.400 0.700 0.700 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.50832E-02 ppm1 8.734 ppm2 1.649 CV 1 ASSI { 1513} (( segid " " and resid 371 and name HN )) (( segid " " and resid 363 and name HA )) 3.600 1.600 1.600 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.69084E-03 ppm1 8.565 ppm2 4.842 CV 1 ASSI { 1514} (( segid " " and resid 371 and name HN )) (( segid " " and resid 371 and name HA )) 3.500 1.500 1.500 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.45307E-03 ppm1 8.560 ppm2 4.582 CV 1 ASSI { 1515} (( segid " " and resid 371 and name HN )) (( segid " " and resid 372 and name HA )) 4.400 2.500 1.600 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.32660E-03 ppm1 8.564 ppm2 4.193 CV 1 ASSI { 1516} (( segid " " and resid 371 and name HN )) (( segid " " and resid 370 and name HB2 )) 3.600 1.600 1.600 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.88853E-03 ppm1 8.562 ppm2 2.810 CV 1 ASSI { 1517} (( segid " " and resid 371 and name HN )) (( segid " " and resid 371 and name HB2 )) 3.100 1.200 1.200 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.15769E-02 ppm1 8.565 ppm2 2.489 CV 1 ASSI { 1518} (( segid " " and resid 371 and name HN )) (( segid " " and resid 372 and name HN )) 4.200 2.200 1.800 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.32099E-03 ppm1 8.565 ppm2 8.859 CV 1 ASSI { 1521} (( segid " " and resid 371 and name HN )) (( segid " " and resid 373 and name HG12)) 4.400 2.400 1.600 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.19452E-03 ppm1 8.565 ppm2 1.573 CV 1 ASSI { 1522} (( segid " " and resid 371 and name HN )) (( segid " " and resid 362 and name HB2 )) 5.100 3.300 0.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.36262E-03 ppm1 8.569 ppm2 1.053 CV 1 ASSI { 1524} (( segid " " and resid 372 and name HN )) (( segid " " and resid 361 and name HN )) 2.600 2.600 3.400 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.64360E-02 ppm1 8.877 ppm2 8.615 CV 1 ASSI { 1525} (( segid " " and resid 372 and name HN )) (( segid " " and resid 363 and name HN )) 4.200 2.200 1.800 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.28657E-03 ppm1 8.879 ppm2 8.340 CV 1 ASSI { 1530} (( segid " " and resid 372 and name HN )) (( segid " " and resid 371 and name HA )) 2.300 0.700 0.700 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.43307E-02 ppm1 8.877 ppm2 4.567 CV 1 ASSI { 1532} (( segid " " and resid 392 and name HN )) (( segid " " and resid 391 and name HB2 )) 2.400 0.700 0.700 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.70124E-02 ppm1 8.873 ppm2 3.986 CV 1 OR { 1532} (( segid " " and resid 392 and name HN )) (( segid " " and resid 391 and name HA )) ASSI { 1535} (( segid " " and resid 392 and name HN )) (( segid " " and resid 392 and name HB2 )) 2.000 0.500 0.500 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.10806E-01 ppm1 8.869 ppm2 3.039 CV 1 ASSI { 1536} (( segid " " and resid 372 and name HN )) (( segid " " and resid 371 and name HB2 )) 2.300 0.700 0.700 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.60195E-02 ppm1 8.875 ppm2 2.505 CV 1 ASSI { 1537} (( segid " " and resid 392 and name HN )) (( segid " " and resid 393 and name HB2 )) 4.100 2.200 1.900 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.49950E-03 ppm1 8.873 ppm2 2.153 CV 1 ASSI { 1539} (( segid " " and resid 372 and name HN )) (( segid " " and resid 362 and name HG )) 2.000 0.500 0.500 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.89655E-02 ppm1 8.877 ppm2 1.092 CV 1 OR { 1539} (( segid " " and resid 372 and name HN )) (( segid " " and resid 362 and name HB2 )) ASSI { 1546} (( segid " " and resid 373 and name HN )) (( segid " " and resid 362 and name HA )) 3.600 1.600 1.600 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.27136E-03 ppm1 9.499 ppm2 4.796 CV 1 ASSI { 1548} (( segid " " and resid 373 and name HN )) (( segid " " and resid 372 and name HA )) 3.500 1.500 1.500 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.25776E-03 ppm1 9.497 ppm2 4.215 CV 1 ASSI { 1550} (( segid " " and resid 373 and name HN )) (( segid " " and resid 274 and name HA1 )) 5.500 3.800 0.500 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.11207E-03 ppm1 9.495 ppm2 3.536 CV 1 ASSI { 1553} (( segid " " and resid 373 and name HN )) (( segid " " and resid 410 and name HB2 )) 6.000 4.400 0.000 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.41785E-04 ppm1 9.505 ppm2 1.916 CV 1 ASSI { 1555} (( segid " " and resid 373 and name HN )) (( segid " " and resid 362 and name HG )) 2.800 1.000 1.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.28977E-02 ppm1 9.501 ppm2 1.069 CV 1 ASSI { 1558} (( segid " " and resid 374 and name HN )) (( segid " " and resid 361 and name HN )) 3.400 1.400 1.400 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.86453E-03 ppm1 7.303 ppm2 8.561 CV 1 ASSI { 1560} (( segid " " and resid 374 and name HN )) (( segid " " and resid 373 and name HN )) 2.300 0.700 0.700 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.23935E-02 ppm1 7.309 ppm2 9.508 CV 1 ASSI { 1562} (( segid " " and resid 374 and name HN )) (( segid " " and resid 375 and name HA )) 5.000 3.100 1.000 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.10166E-03 ppm1 7.315 ppm2 5.483 CV 1 ASSI { 1563} (( segid " " and resid 374 and name HN )) (( segid " " and resid 362 and name HA )) 4.300 2.300 1.700 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.44105E-03 ppm1 7.309 ppm2 4.796 CV 1 ASSI { 1565} (( segid " " and resid 374 and name HN )) (( segid " " and resid 372 and name HA )) 3.600 1.600 1.600 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.16730E-02 ppm1 7.307 ppm2 4.170 CV 1 ASSI { 1569} (( segid " " and resid 374 and name HN )) (( segid " " and resid 373 and name HB )) 2.500 0.800 0.800 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.29458E-02 ppm1 7.307 ppm2 1.428 CV 1 ASSI { 1571} (( segid " " and resid 374 and name HN )) (( segid " " and resid 407 and name HB2 )) 2.600 2.600 3.400 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.81648E-02 ppm1 7.305 ppm2 0.824 CV 1 ASSI { 1574} (( segid " " and resid 375 and name HN )) (( segid " " and resid 408 and name HN )) 2.600 0.900 0.900 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.21693E-02 ppm1 9.598 ppm2 8.493 CV 1 ASSI { 1576} (( segid " " and resid 375 and name HN )) (( segid " " and resid 374 and name HN )) 4.200 2.200 1.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.36502E-03 ppm1 9.604 ppm2 7.332 CV 1 ASSI { 1577} (( segid " " and resid 375 and name HN )) (( segid " " and resid 375 and name HA )) 3.600 1.600 1.600 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.30899E-03 ppm1 9.597 ppm2 5.567 CV 1 ASSI { 1578} (( segid " " and resid 375 and name HN )) (( segid " " and resid 408 and name HA )) 3.500 1.500 1.500 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.55633E-03 ppm1 9.597 ppm2 4.697 CV 1 ASSI { 1579} (( segid " " and resid 375 and name HN )) (( segid " " and resid 374 and name HA1 )) 3.000 1.100 1.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.15289E-02 ppm1 9.598 ppm2 4.055 CV 1 ASSI { 1580} (( segid " " and resid 375 and name HN )) (( segid " " and resid 407 and name HA )) 3.000 1.100 1.100 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.28898E-02 ppm1 9.600 ppm2 3.902 CV 1 ASSI { 1582} (( segid " " and resid 375 and name HN )) (( segid " " and resid 375 and name HE2 )) 3.800 3.800 2.200 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.73484E-03 ppm1 9.598 ppm2 2.344 CV 1 ASSI { 1584} (( segid " " and resid 375 and name HN )) (( segid " " and resid 375 and name HB2 )) 2.900 1.100 1.100 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.15129E-02 ppm1 9.595 ppm2 1.596 CV 1 ASSI { 1585} (( segid " " and resid 375 and name HN )) (( segid " " and resid 375 and name HG2 )) 3.400 1.500 1.500 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 9.598 ppm2 1.275 CV 1 ASSI { 1586} (( segid " " and resid 375 and name HN )) (( segid " " and resid 407 and name HB2 )) 2.600 0.800 0.800 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.94456E-02 ppm1 9.597 ppm2 0.847 CV 1 ASSI { 1588} (( segid " " and resid 376 and name HN )) (( segid " " and resid 359 and name HN )) 3.600 1.600 1.600 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.35301E-03 ppm1 8.915 ppm2 9.088 CV 1 ASSI { 1589} (( segid " " and resid 376 and name HN )) (( segid " " and resid 375 and name HN )) 5.400 3.700 0.600 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.73885E-04 ppm1 8.917 ppm2 9.592 CV 1 ASSI { 1590} (( segid " " and resid 376 and name HN )) (( segid " " and resid 361 and name HN )) 3.500 3.500 2.500 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.20092E-02 ppm1 8.911 ppm2 8.622 CV 1 ASSI { 1594} (( segid " " and resid 376 and name HN )) (( segid " " and resid 376 and name HA )) 2.500 0.800 0.800 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.38984E-02 ppm1 8.913 ppm2 4.666 CV 1 ASSI { 1596} (( segid " " and resid 376 and name HN )) (( segid " " and resid 407 and name HA )) 4.000 2.000 2.000 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.47388E-03 ppm1 8.909 ppm2 3.933 CV 1 ASSI { 1597} (( segid " " and resid 376 and name HN )) (( segid " " and resid 416 and name HG2 )) 4.300 2.300 1.700 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.22814E-03 ppm1 8.902 ppm2 2.764 CV 1 ASSI { 1598} (( segid " " and resid 376 and name HN )) (( segid " " and resid 376 and name HB )) 3.300 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.71242E-03 ppm1 8.915 ppm2 2.199 CV 1 ASSI { 1599} (( segid " " and resid 376 and name HN )) (( segid " " and resid 358 and name HB )) 4.900 2.900 1.100 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.20333E-03 ppm1 8.911 ppm2 1.855 CV 1 ASSI { 1601} (( segid " " and resid 376 and name HN )) (( segid " " and resid 375 and name HG2 )) 3.000 1.200 1.200 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.14329E-02 ppm1 8.913 ppm2 1.298 CV 1 ASSI { 1602} (( segid " " and resid 376 and name HN )) (( segid " " and resid 407 and name HB2 )) 2.900 2.900 3.100 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.56434E-02 ppm1 8.909 ppm2 0.832 CV 1 ASSI { 1611} (( segid " " and resid 377 and name HN )) ( segid " " and resid 377 and name HD% ) 3.100 1.200 1.200 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.10246E-02 ppm1 8.562 ppm2 6.614 CV 1 ASSI { 1614} (( segid " " and resid 377 and name HN )) (( segid " " and resid 376 and name HA )) 2.500 0.800 0.800 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.31779E-02 ppm1 8.567 ppm2 4.651 CV 1 ASSI { 1615} (( segid " " and resid 377 and name HN )) (( segid " " and resid 358 and name HA )) 4.600 2.600 1.400 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.19612E-03 ppm1 8.565 ppm2 4.315 CV 1 ASSI { 1616} (( segid " " and resid 377 and name HN )) (( segid " " and resid 416 and name HG2 )) 3.700 1.700 1.700 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.72925E-03 ppm1 8.564 ppm2 2.802 CV 1 ASSI { 1617} (( segid " " and resid 377 and name HN )) (( segid " " and resid 376 and name HB )) 3.300 1.300 1.300 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.18091E-02 ppm1 8.562 ppm2 2.207 CV 1 ASSI { 1623} (( segid " " and resid 378 and name HN )) ( segid " " and resid 377 and name HD% ) 3.800 1.800 1.800 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.66441E-03 ppm1 8.315 ppm2 6.598 CV 1 ASSI { 1624} (( segid " " and resid 378 and name HN )) (( segid " " and resid 377 and name HA )) 2.800 1.000 1.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.14649E-02 ppm1 8.325 ppm2 5.697 CV 1 ASSI { 1626} (( segid " " and resid 378 and name HN )) (( segid " " and resid 416 and name HG2 )) 3.200 3.200 2.800 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.19852E-03 ppm1 8.315 ppm2 2.749 CV 1 ASSI { 1627} (( segid " " and resid 378 and name HN )) (( segid " " and resid 377 and name HB2 )) 4.600 2.600 1.400 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.16730E-03 ppm1 8.329 ppm2 2.535 CV 1 ASSI { 1628} (( segid " " and resid 378 and name HN )) (( segid " " and resid 357 and name HB )) 3.500 1.500 1.500 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.56196E-03 ppm1 8.333 ppm2 1.687 CV 1 ASSI { 1632} (( segid " " and resid 383 and name HN )) (( segid " " and resid 389 and name HN )) 6.000 6.000 0.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.30739E-05 ppm1 7.712 ppm2 7.523 CV 1 ASSI { 1633} (( segid " " and resid 383 and name HN )) (( segid " " and resid 388 and name HN )) 5.600 3.900 0.400 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.76686E-04 ppm1 7.716 ppm2 8.080 CV 1 ASSI { 1636} (( segid " " and resid 383 and name HN )) (( segid " " and resid 387 and name HN )) 2.300 0.700 0.700 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.19932E-02 ppm1 7.718 ppm2 6.560 CV 1 ASSI { 1638} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HA )) 3.000 1.100 1.100 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.73727E-03 ppm1 7.714 ppm2 4.712 CV 1 ASSI { 1641} (( segid " " and resid 383 and name HN )) (( segid " " and resid 379 and name HA1 )) 3.600 3.600 2.400 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.20333E-02 ppm1 7.714 ppm2 3.589 CV 1 OR { 1641} (( segid " " and resid 383 and name HN )) (( segid " " and resid 379 and name HA2 )) ASSI { 1644} (( segid " " and resid 383 and name HN )) (( segid " " and resid 378 and name HB )) 5.200 3.400 0.800 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.21533E-03 ppm1 7.710 ppm2 2.138 CV 1 ASSI { 1645} (( segid " " and resid 383 and name HN )) (( segid " " and resid 387 and name HG )) 4.300 2.300 1.700 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.64599E-03 ppm1 7.718 ppm2 1.519 CV 1 ASSI { 1650} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HN )) 4.200 2.200 1.800 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.30259E-03 ppm1 8.846 ppm2 7.706 CV 1 ASSI { 1651} (( segid " " and resid 384 and name HN )) (( segid " " and resid 387 and name HN )) 4.700 2.800 1.300 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.19292E-03 ppm1 8.846 ppm2 6.576 CV 1 ASSI { 1652} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HA )) 2.700 0.900 0.900 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.23134E-02 ppm1 8.846 ppm2 4.727 CV 1 ASSI { 1654} (( segid " " and resid 384 and name HN )) (( segid " " and resid 384 and name HA2 )) 2.600 0.900 0.900 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.37701E-02 ppm1 8.848 ppm2 3.811 CV 1 ASSI { 1657} (( segid " " and resid 384 and name HN )) (( segid " " and resid 386 and name HG2 )) 4.300 2.300 1.700 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.12408E-02 ppm1 8.848 ppm2 1.481 CV 1 ASSI { 1661} (( segid " " and resid 385 and name HN )) (( segid " " and resid 384 and name HN )) 3.200 1.200 1.200 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.75965E-03 ppm1 9.320 ppm2 8.844 CV 1 ASSI { 1662} (( segid " " and resid 385 and name HN )) (( segid " " and resid 386 and name HN )) 3.000 1.100 1.100 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.84053E-03 ppm1 9.322 ppm2 8.141 CV 1 ASSI { 1664} (( segid " " and resid 385 and name HN )) (( segid " " and resid 387 and name HN )) 4.600 2.700 1.400 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.12247E-03 ppm1 9.312 ppm2 6.568 CV 1 ASSI { 1666} (( segid " " and resid 385 and name HN )) (( segid " " and resid 388 and name HA )) 3.400 3.400 2.600 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.23614E-02 ppm1 9.318 ppm2 4.055 CV 1 ASSI { 1667} (( segid " " and resid 385 and name HN )) (( segid " " and resid 384 and name HA2 )) 2.700 0.900 0.900 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.23454E-02 ppm1 9.318 ppm2 3.795 CV 1 ASSI { 1669} (( segid " " and resid 385 and name HN )) (( segid " " and resid 388 and name HD2 )) 5.200 3.400 0.800 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.11367E-03 ppm1 9.310 ppm2 3.238 CV 1 ASSI { 1670} (( segid " " and resid 385 and name HN )) (( segid " " and resid 386 and name HB2 )) 5.700 4.100 0.300 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.93658E-04 ppm1 9.310 ppm2 2.833 CV 1 ASSI { 1673} (( segid " " and resid 385 and name HN )) (( segid " " and resid 386 and name HG2 )) 3.800 1.800 1.800 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.29938E-02 ppm1 9.318 ppm2 1.481 CV 1 ASSI { 1679} (( segid " " and resid 386 and name HN )) (( segid " " and resid 383 and name HA )) 3.700 1.700 1.700 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.10967E-02 ppm1 8.149 ppm2 4.689 CV 1 ASSI { 1682} (( segid " " and resid 386 and name HN )) (( segid " " and resid 386 and name HB2 )) 2.400 0.700 0.700 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.30178E-02 ppm1 8.145 ppm2 2.871 CV 1 ASSI { 1694} (( segid " " and resid 387 and name HN )) (( segid " " and resid 383 and name HA )) 4.100 2.100 1.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.52832E-03 ppm1 6.580 ppm2 4.727 CV 1 ASSI { 1696} (( segid " " and resid 387 and name HN )) (( segid " " and resid 379 and name HA1 )) 5.000 3.100 1.000 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.21293E-03 ppm1 6.583 ppm2 3.559 CV 1 OR { 1696} (( segid " " and resid 387 and name HN )) (( segid " " and resid 379 and name HA2 )) ASSI { 1697} (( segid " " and resid 387 and name HN )) (( segid " " and resid 386 and name HB2 )) 2.700 0.900 0.900 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.73083E-03 ppm1 6.576 ppm2 2.848 CV 1 ASSI { 1700} (( segid " " and resid 387 and name HN )) (( segid " " and resid 388 and name HB2 )) 4.200 2.200 1.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.52913E-03 ppm1 6.576 ppm2 1.832 CV 1 ASSI { 1702} (( segid " " and resid 387 and name HN )) (( segid " " and resid 387 and name HB2 )) 2.900 1.100 1.100 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.17611E-02 ppm1 6.578 ppm2 1.191 CV 1 ASSI { 1709} (( segid " " and resid 338 and name HN )) (( segid " " and resid 310 and name HB2 )) 2.200 2.200 3.800 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.20492E-02 ppm1 8.019 ppm2 1.588 CV 1 ASSI { 1711} (( segid " " and resid 338 and name HN )) (( segid " " and resid 331 and name HG2 )) 3.300 3.300 2.700 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.58357E-03 ppm1 8.042 ppm2 1.168 CV 1 ASSI { 1713} (( segid " " and resid 389 and name HN )) (( segid " " and resid 403 and name HE21)) 3.000 1.100 1.100 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.44506E-02 ppm1 7.508 ppm2 6.568 CV 1 ASSI { 1715} (( segid " " and resid 389 and name HN )) (( segid " " and resid 389 and name HA )) 3.300 1.400 1.400 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.71885E-03 ppm1 7.513 ppm2 4.582 CV 1 ASSI { 1718} (( segid " " and resid 389 and name HN )) (( segid " " and resid 389 and name HB2 )) 2.900 1.100 1.100 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.22974E-02 ppm1 7.510 ppm2 3.314 CV 1 ASSI { 1720} (( segid " " and resid 341 and name HN )) (( segid " " and resid 340 and name HB2 )) 5.700 4.000 0.300 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.82450E-04 ppm1 7.521 ppm2 2.222 CV 1 ASSI { 1721} (( segid " " and resid 389 and name HN )) (( segid " " and resid 388 and name HB2 )) 3.600 1.600 1.600 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.14489E-02 ppm1 7.511 ppm2 1.863 CV 1 ASSI { 1722} (( segid " " and resid 389 and name HN )) (( segid " " and resid 388 and name HG2 )) 2.700 0.900 0.900 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.28257E-02 ppm1 7.513 ppm2 1.542 CV 1 ASSI { 1727} (( segid " " and resid 390 and name HN )) (( segid " " and resid 391 and name HN )) 3.100 1.200 1.200 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.82450E-03 ppm1 7.660 ppm2 9.081 CV 1 ASSI { 1732} (( segid " " and resid 390 and name HN )) (( segid " " and resid 390 and name HB2 )) 3.200 1.300 1.300 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.20653E-02 ppm1 7.660 ppm2 3.077 CV 1 ASSI { 1733} (( segid " " and resid 394 and name HN )) (( segid " " and resid 393 and name HB2 )) 2.900 1.100 1.100 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.77406E-03 ppm1 7.647 ppm2 2.184 CV 1 ASSI { 1736} (( segid " " and resid 390 and name HN )) (( segid " " and resid 387 and name HB2 )) 3.500 3.500 2.500 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.12247E-02 ppm1 7.643 ppm2 1.145 CV 1 ASSI { 1740} (( segid " " and resid 391 and name HN )) (( segid " " and resid 392 and name HN )) 3.300 1.400 1.400 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.61235E-03 ppm1 9.070 ppm2 8.867 CV 1 ASSI { 1743} (( segid " " and resid 391 and name HN )) (( segid " " and resid 393 and name HN )) 4.200 2.200 1.800 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.25856E-03 ppm1 9.068 ppm2 7.920 CV 1 ASSI { 1744} (( segid " " and resid 391 and name HN )) (( segid " " and resid 394 and name HN )) 3.300 3.300 2.700 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.98459E-03 ppm1 9.073 ppm2 7.599 CV 1 ASSI { 1746} (( segid " " and resid 391 and name HN )) (( segid " " and resid 389 and name HA )) 4.700 2.700 1.300 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.12808E-03 ppm1 9.070 ppm2 4.605 CV 1 ASSI { 1747} (( segid " " and resid 391 and name HN )) (( segid " " and resid 391 and name HA )) 2.400 0.700 0.700 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.49149E-02 ppm1 9.070 ppm2 4.002 CV 1 OR { 1747} (( segid " " and resid 391 and name HN )) (( segid " " and resid 391 and name HB2 )) ASSI { 1748} (( segid " " and resid 391 and name HN )) (( segid " " and resid 395 and name HA )) 5.900 4.300 0.100 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.19852E-04 ppm1 9.066 ppm2 4.246 CV 1 ASSI { 1750} (( segid " " and resid 391 and name HN )) (( segid " " and resid 390 and name HB2 )) 3.400 1.400 1.400 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.22334E-02 ppm1 9.071 ppm2 3.055 CV 1 ASSI { 1753} (( segid " " and resid 391 and name HN )) (( segid " " and resid 387 and name HB2 )) 4.200 2.200 1.800 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.38422E-04 ppm1 9.077 ppm2 1.206 CV 1 ASSI { 1759} (( segid " " and resid 392 and name HN )) (( segid " " and resid 390 and name HD1 )) 4.400 2.500 1.600 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.44826E-03 ppm1 8.871 ppm2 7.087 CV 1 ASSI { 1762} (( segid " " and resid 372 and name HN )) (( segid " " and resid 363 and name HA )) 3.300 3.300 2.700 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.16250E-02 ppm1 8.875 ppm2 4.826 CV 1 ASSI { 1772} (( segid " " and resid 393 and name HN )) (( segid " " and resid 396 and name HD21)) 3.700 1.700 1.700 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.60916E-03 ppm1 7.958 ppm2 8.218 CV 1 ASSI { 1773} (( segid " " and resid 393 and name HN )) (( segid " " and resid 392 and name HN )) 3.000 1.100 1.100 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 7.968 ppm2 8.852 CV 1 ASSI { 1774} (( segid " " and resid 393 and name HN )) (( segid " " and resid 394 and name HN )) 4.500 2.500 1.500 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.10246E-03 ppm1 7.966 ppm2 7.630 CV 1 ASSI { 1777} (( segid " " and resid 393 and name HN )) (( segid " " and resid 392 and name HA )) 3.000 1.200 1.200 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 7.970 ppm2 4.376 CV 1 ASSI { 1778} (( segid " " and resid 393 and name HN )) (( segid " " and resid 393 and name HA )) 2.700 0.900 0.900 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.23134E-02 ppm1 7.970 ppm2 3.979 CV 1 ASSI { 1779} (( segid " " and resid 393 and name HN )) (( segid " " and resid 392 and name HB2 )) 3.200 1.300 1.300 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.10887E-02 ppm1 7.966 ppm2 3.047 CV 1 ASSI { 1781} (( segid " " and resid 393 and name HN )) (( segid " " and resid 393 and name HB2 )) 2.700 0.900 0.900 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.19372E-02 ppm1 7.968 ppm2 2.199 CV 1 ASSI { 1783} (( segid " " and resid 393 and name HN )) (( segid " " and resid 401 and name HG12)) 3.400 1.400 1.400 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.29858E-02 ppm1 7.968 ppm2 1.672 CV 1 ASSI { 1785} (( segid " " and resid 393 and name HN )) (( segid " " and resid 394 and name HG )) 3.200 3.200 2.800 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.23774E-02 ppm1 7.964 ppm2 0.992 CV 1 ASSI { 1792} (( segid " " and resid 390 and name HN )) (( segid " " and resid 403 and name HE22)) 5.900 4.300 0.100 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.98459E-04 ppm1 7.637 ppm2 6.499 CV 1 OR { 1792} (( segid " " and resid 390 and name HN )) (( segid " " and resid 403 and name HE21)) ASSI { 1793} (( segid " " and resid 390 and name HN )) (( segid " " and resid 389 and name HA )) 5.400 3.700 0.600 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.44826E-04 ppm1 7.643 ppm2 4.605 CV 1 ASSI { 1804} (( segid " " and resid 394 and name HN )) (( segid " " and resid 401 and name HB )) 3.800 3.800 2.200 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.21453E-02 ppm1 7.620 ppm2 1.993 CV 1 ASSI { 1805} (( segid " " and resid 395 and name HN )) (( segid " " and resid 394 and name HN )) 3.100 1.200 1.200 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.89655E-03 ppm1 7.853 ppm2 7.614 CV 1 ASSI { 1806} (( segid " " and resid 395 and name HN )) (( segid " " and resid 396 and name HN )) 2.500 0.800 0.800 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.35862E-02 ppm1 7.853 ppm2 7.148 CV 1 ASSI { 1807} (( segid " " and resid 395 and name HN )) ( segid " " and resid 282 and name HD% ) 3.800 3.800 2.200 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.45627E-03 ppm1 7.863 ppm2 6.896 CV 1 ASSI { 1809} (( segid " " and resid 395 and name HN )) (( segid " " and resid 396 and name HA )) 5.900 4.400 0.100 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.73646E-04 ppm1 7.861 ppm2 5.132 CV 1 ASSI { 1810} (( segid " " and resid 395 and name HN )) (( segid " " and resid 395 and name HA )) 2.800 0.900 0.900 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.26656E-02 ppm1 7.855 ppm2 4.261 CV 1 ASSI { 1811} (( segid " " and resid 395 and name HN )) (( segid " " and resid 393 and name HA )) 2.900 1.100 1.100 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.15610E-02 ppm1 7.853 ppm2 3.956 CV 1 ASSI { 1818} (( segid " " and resid 395 and name HN )) (( segid " " and resid 394 and name HG )) 3.600 1.700 1.700 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.95257E-03 ppm1 7.855 ppm2 1.008 CV 1 ASSI { 1821} (( segid " " and resid 395 and name HN )) (( segid " " and resid 352 and name HG12)) 5.500 3.800 0.500 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.55714E-04 ppm1 7.853 ppm2 0.053 CV 1 ASSI { 1822} (( segid " " and resid 396 and name HN )) ( segid " " and resid 282 and name HD% ) 2.800 2.800 3.200 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.49149E-03 ppm1 7.154 ppm2 6.965 CV 1 ASSI { 1827} (( segid " " and resid 396 and name HN )) (( segid " " and resid 396 and name HD21)) 3.000 1.100 1.100 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 7.151 ppm2 8.195 CV 1 ASSI { 1829} (( segid " " and resid 396 and name HN )) (( segid " " and resid 396 and name HA )) 2.500 0.800 0.800 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.37382E-02 ppm1 7.154 ppm2 5.140 CV 1 ASSI { 1830} (( segid " " and resid 396 and name HN )) (( segid " " and resid 399 and name HA )) 5.200 3.400 0.800 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.19532E-03 ppm1 7.158 ppm2 4.826 CV 1 ASSI { 1832} (( segid " " and resid 396 and name HN )) (( segid " " and resid 395 and name HA )) 2.300 2.300 3.700 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.92055E-02 ppm1 7.154 ppm2 4.269 CV 1 ASSI { 1833} (( segid " " and resid 396 and name HN )) (( segid " " and resid 394 and name HA )) 2.800 1.000 1.000 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.14009E-02 ppm1 7.152 ppm2 3.910 CV 1 ASSI { 1837} (( segid " " and resid 396 and name HN )) (( segid " " and resid 396 and name HB2 )) 2.600 0.800 0.800 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.19132E-02 ppm1 7.154 ppm2 2.718 CV 1 ASSI { 1839} (( segid " " and resid 396 and name HN )) (( segid " " and resid 397 and name HG2 )) 4.000 2.000 2.000 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.94456E-03 ppm1 7.156 ppm2 2.107 CV 1 ASSI { 1840} (( segid " " and resid 396 and name HN )) (( segid " " and resid 399 and name HB2 )) 3.500 1.600 1.600 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.19051E-02 ppm1 7.151 ppm2 1.802 CV 1 ASSI { 1846} (( segid " " and resid 398 and name HN )) (( segid " " and resid 282 and name HN )) 3.400 1.500 1.500 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.52994E-03 ppm1 8.306 ppm2 9.417 CV 1 ASSI { 1848} (( segid " " and resid 398 and name HN )) (( segid " " and resid 283 and name HA )) 4.000 2.000 2.000 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.27457E-03 ppm1 8.317 ppm2 4.269 CV 1 ASSI { 1849} (( segid " " and resid 398 and name HN )) (( segid " " and resid 394 and name HA )) 4.700 2.800 1.300 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.16410E-03 ppm1 8.304 ppm2 3.918 CV 1 ASSI { 1850} (( segid " " and resid 398 and name HN )) (( segid " " and resid 398 and name HA )) 2.700 0.900 0.900 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.19452E-02 ppm1 8.308 ppm2 3.528 CV 1 ASSI { 1851} (( segid " " and resid 398 and name HN )) (( segid " " and resid 398 and name HD2 )) 3.700 1.700 1.700 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.77969E-03 ppm1 8.310 ppm2 3.200 CV 1 ASSI { 1852} (( segid " " and resid 398 and name HN )) (( segid " " and resid 396 and name HB2 )) 4.300 2.300 1.700 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.22574E-03 ppm1 8.308 ppm2 2.726 CV 1 ASSI { 1853} (( segid " " and resid 398 and name HN )) (( segid " " and resid 398 and name HB2 )) 3.200 1.300 1.300 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.96860E-03 ppm1 8.308 ppm2 2.268 CV 1 ASSI { 1855} (( segid " " and resid 398 and name HN )) (( segid " " and resid 398 and name HG2 )) 3.400 1.500 1.500 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.18331E-02 ppm1 8.308 ppm2 1.580 CV 1 ASSI { 1859} (( segid " " and resid 399 and name HN )) (( segid " " and resid 398 and name HN )) 2.900 1.100 1.100 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.17931E-02 ppm1 7.981 ppm2 8.263 CV 1 ASSI { 1860} (( segid " " and resid 366 and name HN )) (( segid " " and resid 367 and name HN )) 3.400 1.400 1.400 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.68282E-03 ppm1 7.987 ppm2 7.798 CV 1 ASSI { 1865} (( segid " " and resid 399 and name HN )) (( segid " " and resid 399 and name HB2 )) 4.800 2.900 1.200 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.13608E-03 ppm1 7.991 ppm2 1.741 CV 1 ASSI { 1866} (( segid " " and resid 399 and name HN )) (( segid " " and resid 398 and name HG2 )) 3.600 1.600 1.600 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.96058E-04 ppm1 7.987 ppm2 1.535 CV 1 ASSI { 1870} (( segid " " and resid 346 and name HN )) (( segid " " and resid 345 and name HN )) 6.000 5.100 0.000 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.27217E-04 ppm1 8.995 ppm2 9.394 CV 1 ASSI { 1872} (( segid " " and resid 346 and name HN )) (( segid " " and resid 347 and name HN )) 3.700 1.700 1.700 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.64518E-03 ppm1 8.991 ppm2 8.462 CV 1 ASSI { 1873} (( segid " " and resid 401 and name HN )) (( segid " " and resid 280 and name HN )) 3.800 1.800 1.800 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.23534E-03 ppm1 9.010 ppm2 8.317 CV 1 ASSI { 1881} (( segid " " and resid 401 and name HN )) (( segid " " and resid 401 and name HG12)) 2.700 0.900 0.900 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.19932E-02 ppm1 9.008 ppm2 1.649 CV 1 ASSI { 1883} (( segid " " and resid 401 and name HN )) (( segid " " and resid 281 and name HG2 )) 3.300 1.300 1.300 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.27297E-02 ppm1 9.010 ppm2 1.023 CV 1 ASSI { 1887} (( segid " " and resid 402 and name HN )) (( segid " " and resid 401 and name HN )) 4.600 2.600 1.400 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.23855E-03 ppm1 9.545 ppm2 9.004 CV 1 ASSI { 1890} (( segid " " and resid 402 and name HN )) (( segid " " and resid 401 and name HA )) 2.700 0.900 0.900 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.22093E-02 ppm1 9.564 ppm2 4.483 CV 1 ASSI { 1891} (( segid " " and resid 402 and name HN )) (( segid " " and resid 401 and name HB )) 6.000 6.000 0.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.13208E-04 ppm1 9.572 ppm2 2.054 CV 1 ASSI { 1893} (( segid " " and resid 402 and name HN )) (( segid " " and resid 403 and name HB2 )) 3.300 3.300 2.700 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.11127E-02 ppm1 9.560 ppm2 0.717 CV 1 ASSI { 1894} (( segid " " and resid 403 and name HN )) (( segid " " and resid 404 and name HN )) 3.100 1.200 1.200 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.16890E-02 ppm1 7.624 ppm2 8.294 CV 1 ASSI { 1902} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HA )) 2.800 1.000 1.000 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 7.628 ppm2 4.047 CV 1 ASSI { 1903} (( segid " " and resid 403 and name HN )) (( segid " " and resid 279 and name HB2 )) 2.200 2.200 3.800 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 7.626 ppm2 3.627 CV 1 ASSI { 1907} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HG2 )) 3.900 1.900 1.900 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.57313E-03 ppm1 7.632 ppm2 2.115 CV 1 ASSI { 1909} (( segid " " and resid 321 and name HN )) (( segid " " and resid 321 and name HG2 )) 4.900 3.000 1.100 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.19372E-03 ppm1 7.630 ppm2 1.397 CV 1 ASSI { 1911} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HB2 )) 2.400 0.700 0.700 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.38264E-02 ppm1 7.630 ppm2 0.717 CV 1 ASSI { 1916} (( segid " " and resid 404 and name HN )) (( segid " " and resid 404 and name HD1 )) 2.900 1.100 1.100 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.16490E-02 ppm1 8.312 ppm2 7.217 CV 1 ASSI { 1918} (( segid " " and resid 404 and name HN )) (( segid " " and resid 277 and name HA )) 3.500 1.500 1.500 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.12328E-02 ppm1 8.312 ppm2 4.567 CV 1 ASSI { 1919} (( segid " " and resid 404 and name HN )) (( segid " " and resid 403 and name HA )) 2.700 0.900 0.900 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.21613E-02 ppm1 8.312 ppm2 4.032 CV 1 ASSI { 1922} (( segid " " and resid 404 and name HN )) (( segid " " and resid 404 and name HB2 )) 3.100 1.200 1.200 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.14889E-02 ppm1 8.317 ppm2 3.154 CV 1 ASSI { 1926} (( segid " " and resid 404 and name HN )) (( segid " " and resid 403 and name HG2 )) 3.400 1.400 1.400 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 8.315 ppm2 2.123 CV 1 ASSI { 1927} (( segid " " and resid 404 and name HN )) (( segid " " and resid 297 and name HE2 )) 3.100 3.100 2.900 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.40506E-02 ppm1 8.319 ppm2 1.764 CV 1 ASSI { 1930} (( segid " " and resid 404 and name HN )) (( segid " " and resid 403 and name HB2 )) 3.600 1.600 1.600 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.15209E-02 ppm1 8.317 ppm2 0.687 CV 1 ASSI { 1933} (( segid " " and resid 405 and name HN )) (( segid " " and resid 277 and name HN )) 4.200 2.200 1.800 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.25296E-03 ppm1 9.471 ppm2 8.959 CV 1 ASSI { 1934} (( segid " " and resid 405 and name HN )) (( segid " " and resid 404 and name HN )) 4.500 2.500 1.500 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.26496E-03 ppm1 9.469 ppm2 8.271 CV 1 ASSI { 1937} (( segid " " and resid 405 and name HN )) ( segid " " and resid 278 and name HE% ) 3.200 1.300 1.300 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.69481E-03 ppm1 9.467 ppm2 6.728 CV 1 ASSI { 1938} (( segid " " and resid 405 and name HN )) (( segid " " and resid 405 and name HD1 )) 4.700 2.700 1.300 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.30658E-03 ppm1 9.469 ppm2 6.262 CV 1 ASSI { 1942} (( segid " " and resid 405 and name HN )) (( segid " " and resid 405 and name HA )) 3.100 1.200 1.200 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.10086E-02 ppm1 9.471 ppm2 4.811 CV 1 ASSI { 1943} (( segid " " and resid 405 and name HN )) (( segid " " and resid 277 and name HA )) 3.200 1.300 1.300 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.21373E-02 ppm1 9.471 ppm2 4.567 CV 1 ASSI { 1946} (( segid " " and resid 405 and name HN )) (( segid " " and resid 404 and name HB2 )) 3.200 1.300 1.300 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.15769E-02 ppm1 9.471 ppm2 3.123 CV 1 ASSI { 1948} (( segid " " and resid 405 and name HN )) (( segid " " and resid 275 and name HB2 )) 3.700 3.700 2.300 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.79410E-03 ppm1 9.472 ppm2 2.314 CV 1 ASSI { 1950} (( segid " " and resid 405 and name HN )) (( segid " " and resid 297 and name HE2 )) 3.900 1.900 1.900 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.77726E-04 ppm1 9.474 ppm2 1.741 CV 1 OR { 1950} (( segid " " and resid 405 and name HN )) (( segid " " and resid 297 and name HB2 )) ASSI { 1960} (( segid " " and resid 406 and name HN )) (( segid " " and resid 405 and name HE1 )) 4.500 2.600 1.500 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.17531E-03 ppm1 9.442 ppm2 8.225 CV 1 ASSI { 1964} (( segid " " and resid 406 and name HN )) (( segid " " and resid 275 and name HA )) 6.000 5.300 0.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.43866E-04 ppm1 9.432 ppm2 5.743 CV 1 ASSI { 1966} (( segid " " and resid 373 and name HN )) (( segid " " and resid 371 and name HA )) 2.700 2.700 3.300 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.59316E-03 ppm1 9.438 ppm2 4.597 CV 1 ASSI { 1968} (( segid " " and resid 406 and name HN )) (( segid " " and resid 406 and name HB )) 2.100 2.100 3.900 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.17691E-01 ppm1 9.436 ppm2 3.948 CV 1 ASSI { 1971} (( segid " " and resid 406 and name HN )) (( segid " " and resid 405 and name HB2 )) 3.600 1.600 1.600 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 9.436 ppm2 3.108 CV 1 ASSI { 1976} (( segid " " and resid 373 and name HN )) (( segid " " and resid 373 and name HB )) 2.500 2.500 3.500 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.33140E-02 ppm1 9.442 ppm2 1.367 CV 1 ASSI { 1980} (( segid " " and resid 407 and name HN )) (( segid " " and resid 276 and name HN )) 5.300 3.600 0.700 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.16970E-03 ppm1 8.743 ppm2 9.921 CV 1 ASSI { 1983} (( segid " " and resid 407 and name HN )) (( segid " " and resid 406 and name HA )) 2.700 0.900 0.900 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 8.741 ppm2 4.880 CV 1 ASSI { 1987} (( segid " " and resid 370 and name HN )) (( segid " " and resid 369 and name HD2 )) 3.100 1.200 1.200 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.14169E-02 ppm1 8.735 ppm2 1.664 CV 1 OR { 1987} (( segid " " and resid 370 and name HN )) (( segid " " and resid 369 and name HB2 )) ASSI { 1989} (( segid " " and resid 407 and name HN )) (( segid " " and resid 407 and name HB2 )) 2.500 0.800 0.800 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.20412E-02 ppm1 8.745 ppm2 0.817 CV 1 ASSI { 1993} (( segid " " and resid 408 and name HN )) (( segid " " and resid 405 and name HE1 )) 2.900 2.900 3.100 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.36502E-03 ppm1 8.462 ppm2 8.233 CV 1 ASSI { 1994} (( segid " " and resid 408 and name HN )) (( segid " " and resid 408 and name HA )) 3.800 1.800 1.800 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.25375E-03 ppm1 8.472 ppm2 4.674 CV 1 ASSI { 1995} (( segid " " and resid 408 and name HN )) (( segid " " and resid 407 and name HA )) 2.700 0.900 0.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.16330E-02 ppm1 8.476 ppm2 3.925 CV 1 ASSI { 1996} (( segid " " and resid 409 and name HN )) (( segid " " and resid 411 and name HG2 )) 3.400 3.400 2.600 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.11127E-02 ppm1 8.459 ppm2 2.268 CV 1 ASSI { 1997} (( segid " " and resid 408 and name HN )) (( segid " " and resid 407 and name HB2 )) 3.100 1.200 1.200 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.35862E-02 ppm1 8.476 ppm2 0.840 CV 1 ASSI { 2019} (( segid " " and resid 410 and name HN )) (( segid " " and resid 375 and name HN )) 3.700 1.700 1.700 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.96058E-04 ppm1 8.957 ppm2 9.554 CV 1 ASSI { 2023} (( segid " " and resid 410 and name HN )) (( segid " " and resid 409 and name HA )) 2.400 0.700 0.700 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.35141E-02 ppm1 8.949 ppm2 3.864 CV 1 ASSI { 2024} (( segid " " and resid 410 and name HN )) (( segid " " and resid 410 and name HA )) 2.500 0.800 0.800 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.27697E-02 ppm1 8.951 ppm2 3.536 CV 1 ASSI { 2028} (( segid " " and resid 410 and name HN )) (( segid " " and resid 361 and name HB )) 2.300 2.300 3.700 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 8.947 ppm2 1.741 CV 1 ASSI { 2030} (( segid " " and resid 410 and name HN )) (( segid " " and resid 362 and name HG )) 2.100 2.100 3.900 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.26496E-02 ppm1 8.947 ppm2 1.153 CV 1 ASSI { 2033} (( segid " " and resid 411 and name HN )) (( segid " " and resid 410 and name HN )) 3.200 1.300 1.300 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.65161E-03 ppm1 9.064 ppm2 8.897 CV 1 ASSI { 2035} (( segid " " and resid 411 and name HN )) (( segid " " and resid 413 and name HN )) 5.100 3.300 0.900 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.79729E-04 ppm1 9.070 ppm2 7.530 CV 1 ASSI { 2037} (( segid " " and resid 411 and name HN )) (( segid " " and resid 411 and name HA )) 2.700 0.900 0.900 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.26096E-02 ppm1 9.066 ppm2 3.986 CV 1 ASSI { 2038} (( segid " " and resid 411 and name HN )) (( segid " " and resid 410 and name HA )) 3.200 1.300 1.300 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.83251E-03 ppm1 9.066 ppm2 3.505 CV 1 ASSI { 2041} (( segid " " and resid 411 and name HN )) (( segid " " and resid 413 and name HB )) 3.200 3.200 2.800 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.17851E-02 ppm1 9.070 ppm2 1.718 CV 1 ASSI { 2051} (( segid " " and resid 412 and name HN )) (( segid " " and resid 411 and name HN )) 2.900 1.000 1.000 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.14329E-02 ppm1 7.093 ppm2 9.065 CV 1 ASSI { 2054} (( segid " " and resid 412 and name HN )) (( segid " " and resid 412 and name HA )) 2.900 1.100 1.100 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 7.086 ppm2 4.047 CV 1 ASSI { 2055} (( segid " " and resid 412 and name HN )) (( segid " " and resid 412 and name HB2 )) 2.200 0.600 0.600 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.65000E-02 ppm1 7.086 ppm2 2.069 CV 1 ASSI { 2063} (( segid " " and resid 413 and name HN )) (( segid " " and resid 412 and name HN )) 2.800 0.900 0.900 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 7.548 ppm2 7.095 CV 1 ASSI { 2065} (( segid " " and resid 413 and name HN )) (( segid " " and resid 414 and name HN )) 2.800 0.900 0.900 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.17450E-02 ppm1 7.548 ppm2 8.645 CV 1 ASSI { 2069} (( segid " " and resid 413 and name HN )) (( segid " " and resid 413 and name HA )) 3.100 1.200 1.200 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.96860E-03 ppm1 7.552 ppm2 3.688 CV 1 ASSI { 2070} (( segid " " and resid 413 and name HN )) (( segid " " and resid 412 and name HB2 )) 2.200 0.600 0.600 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.54755E-02 ppm1 7.552 ppm2 2.085 CV 1 ASSI { 2071} (( segid " " and resid 413 and name HN )) (( segid " " and resid 413 and name HB )) 2.700 0.900 0.900 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.11927E-02 ppm1 7.548 ppm2 1.718 CV 1 ASSI { 2076} (( segid " " and resid 414 and name HN )) (( segid " " and resid 415 and name HN )) 3.000 1.100 1.100 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.11847E-02 ppm1 8.651 ppm2 7.248 CV 1 ASSI { 2078} (( segid " " and resid 414 and name HN )) (( segid " " and resid 414 and name HA )) 2.800 1.000 1.000 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.25776E-02 ppm1 8.663 ppm2 4.063 CV 1 ASSI { 2079} (( segid " " and resid 414 and name HN )) (( segid " " and resid 413 and name HA )) 3.600 1.700 1.700 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.44348E-03 ppm1 8.663 ppm2 3.688 CV 1 ASSI { 2080} (( segid " " and resid 414 and name HN )) (( segid " " and resid 414 and name HB2 )) 2.400 0.700 0.700 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.45388E-02 ppm1 8.659 ppm2 2.390 CV 1 ASSI { 2081} (( segid " " and resid 414 and name HN )) (( segid " " and resid 412 and name HB2 )) 6.000 4.900 0.000 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.37143E-05 ppm1 8.659 ppm2 2.077 CV 1 ASSI { 2092} (( segid " " and resid 415 and name HN )) (( segid " " and resid 413 and name HA )) 3.300 1.300 1.300 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.10887E-02 ppm1 7.263 ppm2 3.688 CV 1 ASSI { 2093} (( segid " " and resid 415 and name HN )) (( segid " " and resid 416 and name HG2 )) 4.000 2.000 2.000 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.55876E-03 ppm1 7.259 ppm2 2.780 CV 1 ASSI { 2094} (( segid " " and resid 415 and name HN )) (( segid " " and resid 414 and name HB2 )) 3.000 1.100 1.100 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.37944E-02 ppm1 7.263 ppm2 2.375 CV 1 ASSI { 2095} (( segid " " and resid 415 and name HN )) (( segid " " and resid 412 and name HB2 )) 2.400 2.400 3.600 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.12087E-02 ppm1 7.271 ppm2 2.046 CV 1 ASSI { 2105} (( segid " " and resid 416 and name HN )) (( segid " " and resid 416 and name HA )) 2.400 0.700 0.700 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.53152E-02 ppm1 7.408 ppm2 4.131 CV 1 ASSI { 2106} (( segid " " and resid 416 and name HN )) (( segid " " and resid 413 and name HA )) 3.100 1.200 1.200 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.11527E-02 ppm1 7.412 ppm2 3.643 CV 1 ASSI { 2107} (( segid " " and resid 416 and name HN )) (( segid " " and resid 416 and name HG2 )) 2.600 2.600 3.400 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.30658E-02 ppm1 7.412 ppm2 2.749 CV 1 ASSI { 2108} (( segid " " and resid 416 and name HN )) (( segid " " and resid 416 and name HB2 )) 2.300 0.700 0.700 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.41947E-02 ppm1 7.414 ppm2 2.291 CV 1 ASSI { 2109} (( segid " " and resid 416 and name HN )) (( segid " " and resid 412 and name HB2 )) 2.500 2.500 3.500 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.92857E-03 ppm1 7.410 ppm2 2.100 CV 1 ASSI { 2110} (( segid " " and resid 416 and name HN )) (( segid " " and resid 420 and name HB2 )) 5.800 4.300 0.200 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.11127E-03 ppm1 7.395 ppm2 1.741 CV 1 ASSI { 2121} (( segid " " and resid 394 and name HN )) (( segid " " and resid 392 and name HA )) 6.000 6.000 0.000 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.13848E-05 ppm1 7.580 ppm2 4.338 CV 1 ASSI { 2124} (( segid " " and resid 417 and name HN )) (( segid " " and resid 416 and name HB2 )) 3.200 1.300 1.300 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.59236E-03 ppm1 7.571 ppm2 2.275 CV 1 ASSI { 2125} (( segid " " and resid 419 and name HN )) (( segid " " and resid 419 and name HB )) 2.900 1.000 1.000 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.26256E-02 ppm1 7.571 ppm2 1.863 CV 1 ASSI { 2126} (( segid " " and resid 419 and name HN )) (( segid " " and resid 421 and name HG2 )) 3.200 3.200 2.800 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.26416E-02 ppm1 7.569 ppm2 1.237 CV 1 ASSI { 2138} (( segid " " and resid 352 and name HN )) (( segid " " and resid 354 and name HG2 )) 2.400 2.400 3.600 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.97658E-02 ppm1 7.076 ppm2 0.878 CV 1 ASSI { 2147} (( segid " " and resid 419 and name HN )) (( segid " " and resid 419 and name HA )) 3.100 1.200 1.200 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.84053E-03 ppm1 7.573 ppm2 3.856 CV 1 ASSI { 2156} (( segid " " and resid 394 and name HN )) (( segid " " and resid 352 and name HG12)) 4.800 2.900 1.200 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.22814E-03 ppm1 7.559 ppm2 0.091 CV 1 ASSI { 2159} (( segid " " and resid 420 and name HN )) (( segid " " and resid 421 and name HN )) 3.800 1.800 1.800 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.20732E-03 ppm1 8.289 ppm2 7.943 CV 1 ASSI { 2161} (( segid " " and resid 420 and name HN )) (( segid " " and resid 419 and name HN )) 3.200 1.200 1.200 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 8.292 ppm2 7.561 CV 1 ASSI { 2162} (( segid " " and resid 420 and name HN )) (( segid " " and resid 418 and name HN )) 3.900 1.900 1.900 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.29858E-03 ppm1 8.289 ppm2 7.080 CV 1 ASSI { 2163} (( segid " " and resid 420 and name HN )) (( segid " " and resid 420 and name HA )) 2.800 1.000 1.000 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.20973E-02 ppm1 8.289 ppm2 4.277 CV 1 ASSI { 2164} (( segid " " and resid 420 and name HN )) (( segid " " and resid 421 and name HA )) 6.000 6.000 0.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.12408E-04 ppm1 8.294 ppm2 4.025 CV 1 ASSI { 2165} (( segid " " and resid 420 and name HN )) (( segid " " and resid 419 and name HA )) 2.000 0.500 0.500 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.81648E-02 ppm1 8.294 ppm2 3.811 CV 1 ASSI { 2166} (( segid " " and resid 420 and name HN )) (( segid " " and resid 417 and name HA )) 3.500 1.600 1.600 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.58034E-03 ppm1 8.289 ppm2 3.574 CV 1 ASSI { 2168} (( segid " " and resid 420 and name HN )) (( segid " " and resid 421 and name HE2 )) 6.000 4.400 0.000 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.68922E-04 ppm1 8.302 ppm2 2.906 CV 1 ASSI { 2171} (( segid " " and resid 420 and name HN )) (( segid " " and resid 420 and name HD2 )) 2.300 0.700 0.700 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.29458E-02 ppm1 8.292 ppm2 1.626 CV 1 ASSI { 2172} (( segid " " and resid 420 and name HN )) (( segid " " and resid 420 and name HG2 )) 2.800 1.000 1.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 8.289 ppm2 1.313 CV 1 ASSI { 2174} (( segid " " and resid 421 and name HN )) (( segid " " and resid 419 and name HN )) 5.400 3.700 0.600 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.16170E-03 ppm1 7.914 ppm2 7.584 CV 1 ASSI { 2179} (( segid " " and resid 421 and name HN )) (( segid " " and resid 421 and name HA )) 3.000 1.100 1.100 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.14088E-02 ppm1 7.916 ppm2 4.063 CV 1 ASSI { 2182} (( segid " " and resid 421 and name HN )) (( segid " " and resid 319 and name HB2 )) 5.800 4.200 0.200 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.68683E-04 ppm1 7.918 ppm2 2.535 CV 1 ASSI { 2184} (( segid " " and resid 421 and name HN )) (( segid " " and resid 420 and name HD2 )) 2.900 1.100 1.100 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.41866E-02 ppm1 7.916 ppm2 1.626 CV 1 ASSI { 11} (( segid " " and resid 399 and name HB2 )) (( segid " " and resid 399 and name HA )) 6.000 6.000 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.30543E-05 ppm1 1.729 ppm2 4.767 CV 1 ASSI { 18} (( segid " " and resid 369 and name HG2 )) (( segid " " and resid 370 and name HB2 )) 6.000 6.000 0.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.52825E-05 ppm1 1.397 ppm2 2.883 CV 1 ASSI { 29} (( segid " " and resid 314 and name HB )) (( segid " " and resid 313 and name HG2 )) 6.000 6.000 0.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.72697E-05 ppm1 1.123 ppm2 1.312 CV 1 ASSI { 31} (( segid " " and resid 288 and name HA )) (( segid " " and resid 287 and name HA2 )) 6.000 6.000 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.79498E-05 ppm1 4.883 ppm2 3.789 CV 1 OR { 31} (( segid " " and resid 288 and name HA )) (( segid " " and resid 287 and name HA1 )) ASSI { 33} (( segid " " and resid 341 and name HA )) (( segid " " and resid 342 and name HN )) 6.000 5.700 0.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.91526E-05 ppm1 4.317 ppm2 7.970 CV 1 ASSI { 45} (( segid " " and resid 337 and name HA )) (( segid " " and resid 337 and name HB2 )) 6.000 5.700 0.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.14278E-04 ppm1 4.120 ppm2 1.097 CV 1 ASSI { 51} (( segid " " and resid 420 and name HG2 )) (( segid " " and resid 416 and name HA )) 6.000 6.000 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.16265E-04 ppm1 1.332 ppm2 4.184 CV 1 ASSI { 54} (( segid " " and resid 411 and name HB2 )) (( segid " " and resid 410 and name HN )) 6.000 6.000 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.17259E-04 ppm1 1.917 ppm2 8.948 CV 1 ASSI { 58} (( segid " " and resid 324 and name HD2 )) (( segid " " and resid 325 and name HN )) 6.000 5.100 0.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.19613E-04 ppm1 1.904 ppm2 8.455 CV 1 ASSI { 65} (( segid " " and resid 346 and name HB2 )) (( segid " " and resid 347 and name HN )) 6.000 5.700 0.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.21548E-04 ppm1 2.047 ppm2 8.437 CV 1 ASSI { 66} (( segid " " and resid 416 and name HA )) (( segid " " and resid 418 and name HN )) 6.000 4.600 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.21652E-04 ppm1 4.160 ppm2 7.082 CV 1 ASSI { 69} (( segid " " and resid 272 and name HE2 )) (( segid " " and resid 300 and name HN )) 6.000 5.200 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.23117E-04 ppm1 3.016 ppm2 6.795 CV 1 ASSI { 84} (( segid " " and resid 323 and name HB2 )) (( segid " " and resid 324 and name HE2 )) 6.000 5.700 0.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.33002E-04 ppm1 1.527 ppm2 3.044 CV 1 ASSI { 98} (( segid " " and resid 355 and name HA )) (( segid " " and resid 316 and name HB2 )) 6.000 4.700 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.38598E-04 ppm1 4.811 ppm2 0.388 CV 1 ASSI { 100} (( segid " " and resid 317 and name HG2 )) (( segid " " and resid 417 and name HA )) 5.900 4.300 0.100 peak 100 spectrum 1 weight 0.10000E+01 volume 0.39227E-04 ppm1 2.236 ppm2 3.582 CV 1 ASSI { 117} (( segid " " and resid 312 and name HB )) (( segid " " and resid 330 and name HB )) 5.700 4.000 0.300 peak 117 spectrum 1 weight 0.10000E+01 volume 0.51674E-04 ppm1 1.496 ppm2 1.196 CV 1 ASSI { 127} (( segid " " and resid 275 and name HA )) (( segid " " and resid 405 and name HN )) 5.700 4.000 0.300 peak 127 spectrum 1 weight 0.10000E+01 volume 0.59100E-04 ppm1 5.749 ppm2 9.486 CV 1 ASSI { 139} (( segid " " and resid 282 and name HA )) (( segid " " and resid 398 and name HA )) 5.100 3.300 0.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.65900E-04 ppm1 5.479 ppm2 3.502 CV 1 ASSI { 153} (( segid " " and resid 374 and name HA2 )) (( segid " " and resid 375 and name HB2 )) 5.000 3.100 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.76881E-04 ppm1 3.842 ppm2 1.564 CV 1 ASSI { 157} (( segid " " and resid 280 and name HA )) (( segid " " and resid 280 and name HB2 )) 5.000 3.100 1.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.78972E-04 ppm1 5.107 ppm2 1.312 CV 1 OR { 157} (( segid " " and resid 280 and name HA )) (( segid " " and resid 280 and name HG )) ASSI { 159} (( segid " " and resid 323 and name HG )) (( segid " " and resid 323 and name HA )) 5.100 3.300 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.79498E-04 ppm1 1.540 ppm2 4.309 CV 1 ASSI { 165} (( segid " " and resid 274 and name HA2 )) (( segid " " and resid 298 and name HB2 )) 4.600 2.600 1.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.82634E-04 ppm1 4.416 ppm2 2.811 CV 1 ASSI { 177} (( segid " " and resid 374 and name HA1 )) (( segid " " and resid 374 and name HA2 )) 3.900 3.900 2.100 peak 177 spectrum 1 weight 0.10000E+01 volume 0.89956E-04 ppm1 4.048 ppm2 3.834 CV 1 ASSI { 183} (( segid " " and resid 332 and name HB2 )) (( segid " " and resid 332 and name HA )) 4.700 2.800 1.300 peak 183 spectrum 1 weight 0.10000E+01 volume 0.94140E-04 ppm1 1.623 ppm2 4.614 CV 1 ASSI { 188} (( segid " " and resid 416 and name HA )) (( segid " " and resid 377 and name HB2 )) 5.400 3.700 0.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.95709E-04 ppm1 4.160 ppm2 2.604 CV 1 ASSI { 190} (( segid " " and resid 302 and name HB2 )) (( segid " " and resid 334 and name HB )) 4.900 3.000 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.96231E-04 ppm1 2.604 ppm2 4.139 CV 1 ASSI { 194} (( segid " " and resid 287 and name HA1 )) (( segid " " and resid 349 and name HN )) 5.100 3.300 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.10198E-03 ppm1 3.757 ppm2 9.208 CV 1 OR { 194} (( segid " " and resid 287 and name HA2 )) (( segid " " and resid 349 and name HN )) ASSI { 196} (( segid " " and resid 341 and name HA )) (( segid " " and resid 342 and name HB2 )) 5.400 3.600 0.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.10198E-03 ppm1 4.335 ppm2 3.313 CV 1 ASSI { 208} (( segid " " and resid 289 and name HA )) ( segid " " and resid 282 and name HE% ) 5.400 3.600 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.11088E-03 ppm1 5.488 ppm2 6.777 CV 1 ASSI { 210} (( segid " " and resid 292 and name HB )) (( segid " " and resid 278 and name HA )) 5.400 3.700 0.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.11245E-03 ppm1 2.083 ppm2 5.332 CV 1 ASSI { 213} (( segid " " and resid 323 and name HB2 )) (( segid " " and resid 323 and name HA )) 4.200 2.200 1.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.11297E-03 ppm1 1.540 ppm2 4.318 CV 1 ASSI { 217} (( segid " " and resid 409 and name HA )) (( segid " " and resid 376 and name HN )) 5.100 3.200 0.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.11454E-03 ppm1 3.851 ppm2 8.867 CV 1 ASSI { 218} (( segid " " and resid 291 and name HA )) (( segid " " and resid 291 and name HB )) 4.600 2.600 1.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.11559E-03 ppm1 5.035 ppm2 2.093 CV 1 ASSI { 221} (( segid " " and resid 301 and name HB2 )) (( segid " " and resid 306 and name HN )) 4.400 2.500 1.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.11611E-03 ppm1 1.756 ppm2 7.701 CV 1 ASSI { 223} (( segid " " and resid 292 and name HA )) (( segid " " and resid 343 and name HN )) 4.500 2.600 1.500 peak 223 spectrum 1 weight 0.10000E+01 volume 0.11820E-03 ppm1 4.847 ppm2 8.778 CV 1 ASSI { 227} (( segid " " and resid 320 and name HA2 )) (( segid " " and resid 421 and name HD2 )) 4.900 3.000 1.100 peak 227 spectrum 1 weight 0.10000E+01 volume 0.12081E-03 ppm1 3.898 ppm2 1.564 CV 1 OR { 227} (( segid " " and resid 320 and name HA2 )) (( segid " " and resid 421 and name HB2 )) ASSI { 229} (( segid " " and resid 375 and name HB2 )) (( segid " " and resid 376 and name HN )) 5.100 3.300 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.12134E-03 ppm1 1.585 ppm2 8.885 CV 1 ASSI { 232} (( segid " " and resid 394 and name HB2 )) (( segid " " and resid 352 and name HB )) 3.500 1.500 1.500 peak 232 spectrum 1 weight 0.10000E+01 volume 0.12186E-03 ppm1 1.289 ppm2 1.438 CV 1 ASSI { 233} (( segid " " and resid 383 and name HB )) (( segid " " and resid 384 and name HA2 )) 5.200 3.300 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.12238E-03 ppm1 4.187 ppm2 3.735 CV 1 ASSI { 234} (( segid " " and resid 274 and name HA2 )) (( segid " " and resid 274 and name HN )) 4.400 2.500 1.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.12343E-03 ppm1 4.421 ppm2 7.127 CV 1 ASSI { 240} (( segid " " and resid 373 and name HA )) (( segid " " and resid 274 and name HA1 )) 4.700 2.800 1.300 peak 240 spectrum 1 weight 0.10000E+01 volume 0.12657E-03 ppm1 3.851 ppm2 3.564 CV 1 ASSI { 243} (( segid " " and resid 309 and name HA )) (( segid " " and resid 332 and name HA )) 4.200 2.200 1.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.12814E-03 ppm1 5.870 ppm2 4.596 CV 1 ASSI { 246} (( segid " " and resid 309 and name HB2 )) (( segid " " and resid 366 and name HA )) 4.600 2.700 1.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.12918E-03 ppm1 3.577 ppm2 3.807 CV 1 ASSI { 250} (( segid " " and resid 386 and name HB2 )) (( segid " " and resid 382 and name HB2 )) 4.800 2.900 1.200 peak 250 spectrum 1 weight 0.10000E+01 volume 0.12971E-03 ppm1 2.864 ppm2 3.053 CV 1 ASSI { 256} (( segid " " and resid 350 and name HA )) (( segid " " and resid 348 and name HD2 )) 4.800 2.900 1.200 peak 256 spectrum 1 weight 0.10000E+01 volume 0.13441E-03 ppm1 3.860 ppm2 3.591 CV 1 ASSI { 258} (( segid " " and resid 297 and name HD2 )) (( segid " " and resid 337 and name HG2 )) 4.900 3.000 1.100 peak 258 spectrum 1 weight 0.10000E+01 volume 0.13598E-03 ppm1 1.199 ppm2 2.192 CV 1 ASSI { 262} (( segid " " and resid 332 and name HG2 )) (( segid " " and resid 332 and name HA )) 4.500 2.500 1.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.13703E-03 ppm1 1.195 ppm2 4.596 CV 1 ASSI { 264} (( segid " " and resid 407 and name HA )) (( segid " " and resid 412 and name HG2 )) 5.200 3.400 0.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.13703E-03 ppm1 3.900 ppm2 2.156 CV 1 ASSI { 270} (( segid " " and resid 289 and name HA )) (( segid " " and resid 352 and name HB )) 5.200 3.400 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.14016E-03 ppm1 5.479 ppm2 1.420 CV 1 ASSI { 271} (( segid " " and resid 274 and name HA2 )) (( segid " " and resid 299 and name HN )) 4.500 2.500 1.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.14069E-03 ppm1 4.412 ppm2 8.221 CV 1 ASSI { 272} (( segid " " and resid 276 and name HA )) (( segid " " and resid 337 and name HB2 )) 6.000 4.600 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.14069E-03 ppm1 5.233 ppm2 1.097 CV 1 ASSI { 274} (( segid " " and resid 297 and name HB2 )) (( segid " " and resid 297 and name HA )) 4.400 2.500 1.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.14226E-03 ppm1 1.720 ppm2 5.377 CV 1 ASSI { 275} (( segid " " and resid 320 and name HA2 )) (( segid " " and resid 419 and name HN )) 5.000 3.100 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.14226E-03 ppm1 3.909 ppm2 7.584 CV 1 ASSI { 293} (( segid " " and resid 279 and name HA )) (( segid " " and resid 403 and name HB2 )) 4.500 2.600 1.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.15272E-03 ppm1 5.870 ppm2 0.675 CV 1 ASSI { 306} (( segid " " and resid 292 and name HA )) (( segid " " and resid 279 and name HN )) 4.500 2.500 1.500 peak 306 spectrum 1 weight 0.10000E+01 volume 0.16004E-03 ppm1 4.829 ppm2 9.917 CV 1 ASSI { 317} (( segid " " and resid 274 and name HA1 )) (( segid " " and resid 298 and name HB2 )) 5.200 3.300 0.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.16684E-03 ppm1 3.541 ppm2 2.802 CV 1 ASSI { 339} (( segid " " and resid 311 and name HB2 )) (( segid " " and resid 312 and name HN )) 4.900 3.000 1.100 peak 339 spectrum 1 weight 0.10000E+01 volume 0.17834E-03 ppm1 2.548 ppm2 8.562 CV 1 ASSI { 345} (( segid " " and resid 293 and name HA )) (( segid " " and resid 278 and name HN )) 5.200 3.400 0.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.18200E-03 ppm1 4.008 ppm2 7.656 CV 1 ASSI { 346} (( segid " " and resid 314 and name HB )) (( segid " " and resid 314 and name HG12)) 4.400 2.400 1.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.18200E-03 ppm1 1.123 ppm2 0.909 CV 1 ASSI { 347} (( segid " " and resid 324 and name HG2 )) (( segid " " and resid 324 and name HA )) 3.900 1.900 1.900 peak 347 spectrum 1 weight 0.10000E+01 volume 0.18200E-03 ppm1 1.628 ppm2 4.632 CV 1 ASSI { 349} (( segid " " and resid 275 and name HA )) (( segid " " and resid 407 and name HB2 )) 3.700 1.700 1.700 peak 349 spectrum 1 weight 0.10000E+01 volume 0.18357E-03 ppm1 5.766 ppm2 0.801 CV 1 ASSI { 351} (( segid " " and resid 385 and name HA )) (( segid " " and resid 388 and name HD2 )) 4.600 2.600 1.400 peak 351 spectrum 1 weight 0.10000E+01 volume 0.18357E-03 ppm1 4.075 ppm2 3.197 CV 1 ASSI { 354} (( segid " " and resid 276 and name HB )) (( segid " " and resid 359 and name HB )) 4.500 2.600 1.500 peak 354 spectrum 1 weight 0.10000E+01 volume 0.18462E-03 ppm1 1.478 ppm2 1.573 CV 1 ASSI { 360} (( segid " " and resid 306 and name HA1 )) (( segid " " and resid 301 and name HB2 )) 3.900 1.900 1.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.18671E-03 ppm1 4.268 ppm2 1.788 CV 1 OR { 360} (( segid " " and resid 306 and name HA1 )) (( segid " " and resid 301 and name HD2 )) ASSI { 362} (( segid " " and resid 320 and name HA1 )) (( segid " " and resid 421 and name HD2 )) 4.700 2.800 1.300 peak 362 spectrum 1 weight 0.10000E+01 volume 0.18724E-03 ppm1 3.467 ppm2 1.564 CV 1 OR { 362} (( segid " " and resid 320 and name HA1 )) (( segid " " and resid 421 and name HB2 )) ASSI { 363} (( segid " " and resid 275 and name HB2 )) (( segid " " and resid 297 and name HB2 )) 4.400 2.400 1.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.18776E-03 ppm1 2.294 ppm2 1.734 CV 1 ASSI { 366} (( segid " " and resid 272 and name HB2 )) (( segid " " and resid 301 and name HA )) 4.600 2.600 1.400 peak 366 spectrum 1 weight 0.10000E+01 volume 0.18933E-03 ppm1 1.854 ppm2 3.789 CV 1 ASSI { 367} (( segid " " and resid 276 and name HA )) (( segid " " and resid 297 and name HB2 )) 4.500 2.600 1.500 peak 367 spectrum 1 weight 0.10000E+01 volume 0.18933E-03 ppm1 5.228 ppm2 1.752 CV 1 OR { 367} (( segid " " and resid 276 and name HA )) (( segid " " and resid 297 and name HE2 )) ASSI { 373} (( segid " " and resid 350 and name HA )) ( segid " " and resid 349 and name HD% ) 4.200 2.200 1.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.19194E-03 ppm1 3.851 ppm2 7.225 CV 1 ASSI { 377} (( segid " " and resid 348 and name HB2 )) (( segid " " and resid 349 and name HA )) 4.800 2.900 1.200 peak 377 spectrum 1 weight 0.10000E+01 volume 0.19351E-03 ppm1 1.917 ppm2 4.614 CV 1 ASSI { 383} (( segid " " and resid 319 and name HA )) (( segid " " and resid 420 and name HN )) 5.000 3.100 1.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.19613E-03 ppm1 4.230 ppm2 8.248 CV 1 ASSI { 386} (( segid " " and resid 302 and name HG2 )) (( segid " " and resid 307 and name HN )) 4.400 2.400 1.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.19770E-03 ppm1 2.375 ppm2 8.374 CV 1 ASSI { 387} (( segid " " and resid 375 and name HB2 )) (( segid " " and resid 410 and name HB2 )) 4.600 2.600 1.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.19770E-03 ppm1 1.563 ppm2 1.931 CV 1 ASSI { 390} (( segid " " and resid 410 and name HA )) (( segid " " and resid 375 and name HG2 )) 4.000 2.000 2.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.19874E-03 ppm1 3.483 ppm2 1.285 CV 1 ASSI { 392} (( segid " " and resid 338 and name HA )) (( segid " " and resid 338 and name HB2 )) 3.700 1.700 1.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.20240E-03 ppm1 4.465 ppm2 2.892 CV 1 ASSI { 400} (( segid " " and resid 310 and name HA )) (( segid " " and resid 310 and name HB2 )) 4.200 2.200 1.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.20711E-03 ppm1 5.654 ppm2 1.564 CV 1 ASSI { 415} (( segid " " and resid 407 and name HG )) (( segid " " and resid 374 and name HA1 )) 4.500 2.600 1.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.21339E-03 ppm1 1.424 ppm2 4.103 CV 1 ASSI { 419} (( segid " " and resid 375 and name HA )) (( segid " " and resid 360 and name HA )) 3.900 1.900 1.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.21496E-03 ppm1 5.515 ppm2 4.722 CV 1 ASSI { 422} (( segid " " and resid 420 and name HG2 )) (( segid " " and resid 356 and name HN )) 4.500 2.500 1.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.21548E-03 ppm1 1.327 ppm2 8.517 CV 1 ASSI { 424} (( segid " " and resid 296 and name HA )) (( segid " " and resid 337 and name HG2 )) 4.800 2.900 1.200 peak 424 spectrum 1 weight 0.10000E+01 volume 0.21757E-03 ppm1 5.560 ppm2 2.281 CV 1 ASSI { 441} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 399 and name HG2 )) 4.900 3.000 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.22803E-03 ppm1 2.222 ppm2 1.608 CV 1 ASSI { 443} (( segid " " and resid 310 and name HB2 )) (( segid " " and resid 337 and name HA )) 3.900 1.900 1.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.22908E-03 ppm1 1.621 ppm2 4.121 CV 1 ASSI { 444} (( segid " " and resid 420 and name HG2 )) (( segid " " and resid 421 and name HD2 )) 4.600 2.700 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.22908E-03 ppm1 1.327 ppm2 1.591 CV 1 OR { 444} (( segid " " and resid 420 and name HG2 )) (( segid " " and resid 421 and name HB2 )) ASSI { 452} (( segid " " and resid 340 and name HB2 )) (( segid " " and resid 340 and name HA )) 3.900 1.900 1.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.23535E-03 ppm1 2.218 ppm2 4.076 CV 1 ASSI { 455} (( segid " " and resid 336 and name HA )) (( segid " " and resid 338 and name HB2 )) 4.400 2.400 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.23640E-03 ppm1 5.486 ppm2 2.954 CV 1 ASSI { 457} (( segid " " and resid 392 and name HA )) (( segid " " and resid 396 and name HN )) 4.500 2.500 1.500 peak 457 spectrum 1 weight 0.10000E+01 volume 0.23797E-03 ppm1 4.362 ppm2 7.145 CV 1 ASSI { 468} (( segid " " and resid 282 and name HB2 )) ( segid " " and resid 282 and name HE% ) 4.700 2.800 1.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.24372E-03 ppm1 3.088 ppm2 6.795 CV 1 ASSI { 472} (( segid " " and resid 279 and name HB2 )) (( segid " " and resid 280 and name HB2 )) 4.700 2.800 1.300 peak 472 spectrum 1 weight 0.10000E+01 volume 0.24895E-03 ppm1 3.577 ppm2 1.366 CV 1 OR { 472} (( segid " " and resid 279 and name HB2 )) (( segid " " and resid 280 and name HG )) ASSI { 478} (( segid " " and resid 282 and name HA )) (( segid " " and resid 282 and name HN )) 3.600 1.600 1.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.25314E-03 ppm1 5.470 ppm2 9.361 CV 1 ASSI { 480} (( segid " " and resid 328 and name HA )) (( segid " " and resid 342 and name HN )) 4.300 2.300 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.25314E-03 ppm1 4.851 ppm2 7.979 CV 1 ASSI { 483} (( segid " " and resid 402 and name HA )) (( segid " " and resid 403 and name HB2 )) 4.400 2.400 1.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.25418E-03 ppm1 4.932 ppm2 0.684 CV 1 ASSI { 503} (( segid " " and resid 405 and name HA )) (( segid " " and resid 275 and name HA )) 4.500 2.600 1.500 peak 503 spectrum 1 weight 0.10000E+01 volume 0.26882E-03 ppm1 4.811 ppm2 5.754 CV 1 ASSI { 505} (( segid " " and resid 321 and name HA )) (( segid " " and resid 321 and name HN )) 3.800 1.800 1.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.26987E-03 ppm1 4.387 ppm2 7.611 CV 1 ASSI { 508} (( segid " " and resid 310 and name HA )) (( segid " " and resid 299 and name HG )) 3.700 1.700 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.27249E-03 ppm1 5.659 ppm2 1.779 CV 1 ASSI { 519} (( segid " " and resid 296 and name HA )) ( segid " " and resid 278 and name HE% ) 4.400 2.400 1.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.27928E-03 ppm1 5.556 ppm2 6.714 CV 1 ASSI { 531} (( segid " " and resid 280 and name HG )) ( segid " " and resid 278 and name HD% ) 4.300 2.400 1.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.28661E-03 ppm1 1.325 ppm2 6.732 CV 1 OR { 531} (( segid " " and resid 280 and name HG )) ( segid " " and resid 278 and name HE% ) ASSI { 542} (( segid " " and resid 311 and name HB2 )) (( segid " " and resid 361 and name HA )) 4.500 2.500 1.500 peak 542 spectrum 1 weight 0.10000E+01 volume 0.29079E-03 ppm1 2.635 ppm2 4.641 CV 1 ASSI { 569} (( segid " " and resid 402 and name HA )) (( segid " " and resid 279 and name HB2 )) 4.300 2.300 1.700 peak 569 spectrum 1 weight 0.10000E+01 volume 0.30962E-03 ppm1 4.919 ppm2 3.591 CV 1 ASSI { 570} (( segid " " and resid 371 and name HB2 )) (( segid " " and resid 371 and name HA )) 3.900 1.900 1.900 peak 570 spectrum 1 weight 0.10000E+01 volume 0.30962E-03 ppm1 2.509 ppm2 4.578 CV 1 ASSI { 571} (( segid " " and resid 327 and name HB2 )) (( segid " " and resid 328 and name HB )) 4.300 2.300 1.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.31014E-03 ppm1 1.740 ppm2 4.776 CV 1 ASSI { 572} (( segid " " and resid 349 and name HB2 )) (( segid " " and resid 349 and name HA )) 3.600 1.700 1.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.31014E-03 ppm1 2.949 ppm2 4.641 CV 1 ASSI { 580} (( segid " " and resid 401 and name HB )) (( segid " " and resid 403 and name HB2 )) 4.000 2.000 2.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.32060E-03 ppm1 2.052 ppm2 0.675 CV 1 ASSI { 584} (( segid " " and resid 336 and name HA )) (( segid " " and resid 334 and name HG1 )) 2.900 2.900 3.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.32322E-03 ppm1 5.486 ppm2 0.729 CV 1 ASSI { 586} (( segid " " and resid 348 and name HD2 )) (( segid " " and resid 351 and name HB2 )) 2.900 1.100 1.100 peak 586 spectrum 1 weight 0.10000E+01 volume 0.32583E-03 ppm1 3.609 ppm2 2.147 CV 1 ASSI { 596} (( segid " " and resid 413 and name HA )) (( segid " " and resid 416 and name HB2 )) 3.600 1.600 1.600 peak 596 spectrum 1 weight 0.10000E+01 volume 0.33106E-03 ppm1 3.671 ppm2 2.326 CV 1 ASSI { 601} (( segid " " and resid 288 and name HA )) (( segid " " and resid 347 and name HN )) 3.300 1.400 1.400 peak 601 spectrum 1 weight 0.10000E+01 volume 0.33525E-03 ppm1 4.878 ppm2 8.490 CV 1 ASSI { 602} (( segid " " and resid 293 and name HB )) (( segid " " and resid 340 and name HN )) 3.900 1.900 1.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.33734E-03 ppm1 2.088 ppm2 8.132 CV 1 ASSI { 605} (( segid " " and resid 308 and name HB2 )) (( segid " " and resid 300 and name HA )) 4.000 2.000 2.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.33995E-03 ppm1 3.627 ppm2 3.870 CV 1 ASSI { 607} (( segid " " and resid 417 and name HB2 )) (( segid " " and resid 417 and name HA )) 3.700 1.700 1.700 peak 607 spectrum 1 weight 0.10000E+01 volume 0.34152E-03 ppm1 1.015 ppm2 3.538 CV 1 ASSI { 611} (( segid " " and resid 288 and name HB2 )) (( segid " " and resid 286 and name HN )) 4.700 2.800 1.300 peak 611 spectrum 1 weight 0.10000E+01 volume 0.34309E-03 ppm1 1.338 ppm2 6.534 CV 1 ASSI { 612} (( segid " " and resid 395 and name HA )) (( segid " " and resid 394 and name HA )) 3.800 1.800 1.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.34309E-03 ppm1 4.214 ppm2 3.914 CV 1 ASSI { 613} (( segid " " and resid 391 and name HB2 )) (( segid " " and resid 392 and name HN )) 4.000 2.000 2.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.34361E-03 ppm1 4.003 ppm2 8.912 CV 1 ASSI { 621} (( segid " " and resid 333 and name HB2 )) (( segid " " and resid 334 and name HG1 )) 4.200 2.200 1.800 peak 621 spectrum 1 weight 0.10000E+01 volume 0.35251E-03 ppm1 2.507 ppm2 0.765 CV 1 ASSI { 624} (( segid " " and resid 386 and name HA )) (( segid " " and resid 386 and name HG2 )) 3.700 1.700 1.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.35355E-03 ppm1 4.120 ppm2 1.546 CV 1 ASSI { 625} (( segid " " and resid 299 and name HA )) (( segid " " and resid 308 and name HB2 )) 4.500 2.500 1.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.35407E-03 ppm1 4.479 ppm2 3.582 CV 1 ASSI { 626} (( segid " " and resid 396 and name HA )) (( segid " " and resid 396 and name HB2 )) 3.900 1.900 1.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.35407E-03 ppm1 5.116 ppm2 2.685 CV 1 ASSI { 631} (( segid " " and resid 330 and name HB )) (( segid " " and resid 331 and name HN )) 4.000 2.000 2.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.35669E-03 ppm1 1.199 ppm2 8.006 CV 1 ASSI { 632} (( segid " " and resid 402 and name HA )) (( segid " " and resid 280 and name HN )) 4.700 2.700 1.300 peak 632 spectrum 1 weight 0.10000E+01 volume 0.35669E-03 ppm1 4.923 ppm2 8.275 CV 1 ASSI { 637} (( segid " " and resid 300 and name HD2 )) (( segid " " and resid 302 and name HN )) 4.000 2.000 2.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.35982E-03 ppm1 1.603 ppm2 7.997 CV 1 ASSI { 642} (( segid " " and resid 284 and name HB2 )) (( segid " " and resid 288 and name HN )) 4.900 3.000 1.100 peak 642 spectrum 1 weight 0.10000E+01 volume 0.36192E-03 ppm1 1.989 ppm2 6.624 CV 1 ASSI { 645} (( segid " " and resid 310 and name HA )) (( segid " " and resid 334 and name HG1 )) 4.400 2.500 1.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.36296E-03 ppm1 5.654 ppm2 0.747 CV 1 ASSI { 651} (( segid " " and resid 324 and name HB2 )) (( segid " " and resid 316 and name HB2 )) 4.200 2.200 1.800 peak 651 spectrum 1 weight 0.10000E+01 volume 0.36663E-03 ppm1 1.845 ppm2 0.352 CV 1 ASSI { 654} (( segid " " and resid 348 and name HD2 )) (( segid " " and resid 289 and name HG )) 4.300 2.400 1.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.36819E-03 ppm1 3.609 ppm2 1.591 CV 1 ASSI { 659} (( segid " " and resid 375 and name HE2 )) (( segid " " and resid 375 and name HB2 )) 4.300 2.300 1.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.37132E-03 ppm1 2.402 ppm2 1.537 CV 1 ASSI { 664} (( segid " " and resid 380 and name HB2 )) (( segid " " and resid 319 and name HN )) 3.900 1.900 1.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.37499E-03 ppm1 2.987 ppm2 9.388 CV 1 ASSI { 695} (( segid " " and resid 272 and name HG2 )) (( segid " " and resid 272 and name HA )) 3.800 1.800 1.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.39958E-03 ppm1 1.404 ppm2 4.193 CV 1 ASSI { 696} (( segid " " and resid 369 and name HE2 )) (( segid " " and resid 371 and name HB2 )) 3.800 1.800 1.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.40010E-03 ppm1 3.012 ppm2 2.506 CV 1 ASSI { 698} (( segid " " and resid 399 and name HB2 )) (( segid " " and resid 393 and name HB2 )) 4.100 2.100 1.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.40061E-03 ppm1 1.738 ppm2 2.174 CV 1 ASSI { 699} (( segid " " and resid 375 and name HA )) (( segid " " and resid 375 and name HG2 )) 3.900 1.900 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.40113E-03 ppm1 5.520 ppm2 1.259 CV 1 ASSI { 709} (( segid " " and resid 349 and name HB2 )) ( segid " " and resid 349 and name HD% ) 3.700 1.700 1.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.40690E-03 ppm1 2.954 ppm2 7.252 CV 1 ASSI { 715} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 407 and name HB2 )) 4.600 2.600 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.40951E-03 ppm1 3.057 ppm2 0.819 CV 1 ASSI { 723} (( segid " " and resid 314 and name HB )) (( segid " " and resid 316 and name HB2 )) 4.400 2.400 1.600 peak 723 spectrum 1 weight 0.10000E+01 volume 0.42208E-03 ppm1 1.128 ppm2 0.388 CV 1 ASSI { 725} (( segid " " and resid 334 and name HB )) (( segid " " and resid 334 and name HA )) 3.500 1.600 1.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.42363E-03 ppm1 4.091 ppm2 4.605 CV 1 ASSI { 726} (( segid " " and resid 420 and name HE2 )) (( segid " " and resid 377 and name HB2 )) 3.500 1.500 1.500 peak 726 spectrum 1 weight 0.10000E+01 volume 0.42414E-03 ppm1 2.886 ppm2 2.595 CV 1 ASSI { 735} (( segid " " and resid 392 and name HA )) (( segid " " and resid 392 and name HB2 )) 3.700 1.700 1.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.42991E-03 ppm1 4.353 ppm2 3.008 CV 1 ASSI { 739} (( segid " " and resid 338 and name HA )) (( segid " " and resid 295 and name HA )) 3.200 1.300 1.300 peak 739 spectrum 1 weight 0.10000E+01 volume 0.43410E-03 ppm1 4.474 ppm2 5.036 CV 1 ASSI { 744} (( segid " " and resid 297 and name HB2 )) (( segid " " and resid 275 and name HN )) 3.800 1.800 1.800 peak 744 spectrum 1 weight 0.10000E+01 volume 0.43932E-03 ppm1 1.724 ppm2 8.535 CV 1 ASSI { 756} (( segid " " and resid 337 and name HA )) (( segid " " and resid 331 and name HN )) 3.900 1.900 1.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.44612E-03 ppm1 4.187 ppm2 7.997 CV 1 ASSI { 758} (( segid " " and resid 273 and name HG )) (( segid " " and resid 272 and name HN )) 3.700 1.800 1.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.44715E-03 ppm1 1.603 ppm2 8.481 CV 1 ASSI { 759} (( segid " " and resid 317 and name HG2 )) (( segid " " and resid 356 and name HG2 )) 4.200 2.200 1.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.44925E-03 ppm1 2.263 ppm2 1.949 CV 1 ASSI { 768} (( segid " " and resid 296 and name HA )) (( segid " " and resid 276 and name HA )) 2.800 1.000 1.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.45814E-03 ppm1 5.547 ppm2 5.242 CV 1 ASSI { 771} (( segid " " and resid 375 and name HB2 )) (( segid " " and resid 361 and name HN )) 3.500 1.500 1.500 peak 771 spectrum 1 weight 0.10000E+01 volume 0.45972E-03 ppm1 1.576 ppm2 8.562 CV 1 ASSI { 774} (( segid " " and resid 276 and name HA )) (( segid " " and resid 277 and name HN )) 3.300 1.300 1.300 peak 774 spectrum 1 weight 0.10000E+01 volume 0.46336E-03 ppm1 5.215 ppm2 8.876 CV 1 ASSI { 776} (( segid " " and resid 410 and name HA )) (( segid " " and resid 375 and name HB2 )) 3.500 1.600 1.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.46443E-03 ppm1 3.478 ppm2 1.564 CV 1 ASSI { 777} (( segid " " and resid 279 and name HB2 )) (( segid " " and resid 403 and name HB2 )) 4.300 2.400 1.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.46546E-03 ppm1 3.582 ppm2 0.693 CV 1 ASSI { 781} (( segid " " and resid 278 and name HA )) (( segid " " and resid 403 and name HB2 )) 3.900 3.900 2.100 peak 781 spectrum 1 weight 0.10000E+01 volume 0.46862E-03 ppm1 5.381 ppm2 0.684 CV 1 ASSI { 783} (( segid " " and resid 367 and name HA )) (( segid " " and resid 367 and name HG12)) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.47016E-03 ppm1 4.062 ppm2 1.312 CV 1 ASSI { 784} (( segid " " and resid 359 and name HA )) (( segid " " and resid 361 and name HN )) 4.300 2.300 1.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.47123E-03 ppm1 4.474 ppm2 8.571 CV 1 ASSI { 785} (( segid " " and resid 375 and name HB2 )) (( segid " " and resid 375 and name HG2 )) 3.500 1.500 1.500 peak 785 spectrum 1 weight 0.10000E+01 volume 0.47333E-03 ppm1 1.576 ppm2 1.250 CV 1 ASSI { 786} (( segid " " and resid 380 and name HB2 )) (( segid " " and resid 421 and name HB2 )) 3.900 1.900 1.900 peak 786 spectrum 1 weight 0.10000E+01 volume 0.47384E-03 ppm1 2.978 ppm2 1.617 CV 1 ASSI { 790} (( segid " " and resid 416 and name HG2 )) (( segid " " and resid 416 and name HA )) 3.900 1.900 1.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.47855E-03 ppm1 2.779 ppm2 4.139 CV 1 ASSI { 796} (( segid " " and resid 282 and name HA )) ( segid " " and resid 282 and name HE% ) 4.200 2.200 1.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.48693E-03 ppm1 5.488 ppm2 6.777 CV 1 ASSI { 797} (( segid " " and resid 380 and name HB2 )) (( segid " " and resid 353 and name HB2 )) 2.800 2.800 3.200 peak 797 spectrum 1 weight 0.10000E+01 volume 0.48693E-03 ppm1 2.960 ppm2 2.228 CV 1 ASSI { 800} (( segid " " and resid 387 and name HA )) (( segid " " and resid 378 and name HB )) 3.800 1.800 1.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.49005E-03 ppm1 4.151 ppm2 2.129 CV 1 ASSI { 801} (( segid " " and resid 274 and name HA2 )) (( segid " " and resid 274 and name HA1 )) 2.900 1.100 1.100 peak 801 spectrum 1 weight 0.10000E+01 volume 0.49057E-03 ppm1 4.403 ppm2 3.547 CV 1 ASSI { 805} (( segid " " and resid 282 and name HA )) (( segid " " and resid 290 and name HA )) 4.100 2.100 1.900 peak 805 spectrum 1 weight 0.10000E+01 volume 0.49373E-03 ppm1 5.470 ppm2 5.233 CV 1 ASSI { 811} (( segid " " and resid 310 and name HB2 )) (( segid " " and resid 331 and name HN )) 3.300 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.49895E-03 ppm1 1.630 ppm2 7.979 CV 1 ASSI { 812} (( segid " " and resid 275 and name HA )) (( segid " " and resid 406 and name HA )) 3.900 1.900 1.900 peak 812 spectrum 1 weight 0.10000E+01 volume 0.49998E-03 ppm1 5.762 ppm2 4.839 CV 1 ASSI { 817} (( segid " " and resid 297 and name HA )) (( segid " " and resid 299 and name HN )) 3.800 1.800 1.800 peak 817 spectrum 1 weight 0.10000E+01 volume 0.50365E-03 ppm1 5.381 ppm2 8.203 CV 1 ASSI { 821} (( segid " " and resid 407 and name HA )) (( segid " " and resid 409 and name HN )) 4.600 2.600 1.400 peak 821 spectrum 1 weight 0.10000E+01 volume 0.50575E-03 ppm1 3.909 ppm2 8.410 CV 1 ASSI { 824} (( segid " " and resid 375 and name HA )) (( segid " " and resid 408 and name HN )) 4.000 2.000 2.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.50887E-03 ppm1 5.511 ppm2 8.499 CV 1 ASSI { 829} (( segid " " and resid 309 and name HA )) (( segid " " and resid 333 and name HB2 )) 4.100 2.100 1.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.51619E-03 ppm1 5.879 ppm2 2.515 CV 1 ASSI { 833} (( segid " " and resid 406 and name HB )) (( segid " " and resid 406 and name HA )) 3.400 1.500 1.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.51884E-03 ppm1 3.936 ppm2 4.803 CV 1 ASSI { 835} (( segid " " and resid 280 and name HA )) (( segid " " and resid 389 and name HE1 )) 4.100 2.100 1.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.52299E-03 ppm1 5.103 ppm2 8.150 CV 1 ASSI { 842} (( segid " " and resid 297 and name HD2 )) (( segid " " and resid 297 and name HB2 )) 3.800 1.800 1.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.52825E-03 ppm1 1.199 ppm2 1.725 CV 1 ASSI { 864} (( segid " " and resid 409 and name HA )) (( segid " " and resid 375 and name HB2 )) 3.200 1.300 1.300 peak 864 spectrum 1 weight 0.10000E+01 volume 0.54391E-03 ppm1 3.855 ppm2 1.564 CV 1 ASSI { 866} (( segid " " and resid 303 and name HA )) (( segid " " and resid 302 and name HG2 )) 3.800 1.800 1.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.54916E-03 ppm1 5.022 ppm2 2.362 CV 1 ASSI { 870} (( segid " " and resid 374 and name HA1 )) (( segid " " and resid 407 and name HB2 )) 3.200 1.300 1.300 peak 870 spectrum 1 weight 0.10000E+01 volume 0.54916E-03 ppm1 4.053 ppm2 0.828 CV 1 ASSI { 878} (( segid " " and resid 346 and name HB2 )) (( segid " " and resid 345 and name HA )) 4.100 2.100 1.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.56486E-03 ppm1 1.999 ppm2 4.839 CV 1 ASSI { 879} (( segid " " and resid 315 and name HA )) (( segid " " and resid 316 and name HB2 )) 4.200 2.300 1.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.56486E-03 ppm1 5.304 ppm2 0.352 CV 1 ASSI { 884} (( segid " " and resid 275 and name HA )) (( segid " " and resid 275 and name HB2 )) 3.200 1.300 1.300 peak 884 spectrum 1 weight 0.10000E+01 volume 0.57008E-03 ppm1 5.749 ppm2 2.272 CV 1 ASSI { 886} (( segid " " and resid 409 and name HB )) (( segid " " and resid 375 and name HB2 )) 4.000 2.000 2.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.57008E-03 ppm1 1.989 ppm2 1.582 CV 1 OR { 886} (( segid " " and resid 409 and name HB )) (( segid " " and resid 375 and name HD2 )) ASSI { 892} (( segid " " and resid 279 and name HB2 )) (( segid " " and resid 279 and name HA )) 3.400 1.500 1.500 peak 892 spectrum 1 weight 0.10000E+01 volume 0.57530E-03 ppm1 3.586 ppm2 5.879 CV 1 ASSI { 898} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 412 and name HA )) 3.700 1.700 1.700 peak 898 spectrum 1 weight 0.10000E+01 volume 0.57530E-03 ppm1 2.088 ppm2 4.022 CV 1 ASSI { 904} (( segid " " and resid 343 and name HB2 )) ( segid " " and resid 343 and name HD% ) 3.400 1.500 1.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.58052E-03 ppm1 2.514 ppm2 6.929 CV 1 ASSI { 908} (( segid " " and resid 298 and name HA )) (( segid " " and resid 299 and name HN )) 3.400 1.500 1.500 peak 908 spectrum 1 weight 0.10000E+01 volume 0.58578E-03 ppm1 4.147 ppm2 8.167 CV 1 ASSI { 909} (( segid " " and resid 298 and name HB2 )) (( segid " " and resid 408 and name HE22)) 3.600 3.600 2.400 peak 909 spectrum 1 weight 0.10000E+01 volume 0.58578E-03 ppm1 2.779 ppm2 6.750 CV 1 ASSI { 913} (( segid " " and resid 399 and name HB2 )) (( segid " " and resid 397 and name HD2 )) 4.000 2.000 2.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.58578E-03 ppm1 1.733 ppm2 3.654 CV 1 ASSI { 915} (( segid " " and resid 272 and name HE2 )) (( segid " " and resid 305 and name HN )) 3.500 3.500 2.500 peak 915 spectrum 1 weight 0.10000E+01 volume 0.59100E-03 ppm1 3.007 ppm2 8.813 CV 1 ASSI { 923} (( segid " " and resid 303 and name HA )) (( segid " " and resid 301 and name HD2 )) 3.500 1.500 1.500 peak 923 spectrum 1 weight 0.10000E+01 volume 0.59622E-03 ppm1 5.022 ppm2 1.833 CV 1 ASSI { 929} (( segid " " and resid 275 and name HB2 )) (( segid " " and resid 274 and name HN )) 3.600 1.600 1.600 peak 929 spectrum 1 weight 0.10000E+01 volume 0.60144E-03 ppm1 2.303 ppm2 7.154 CV 1 ASSI { 931} (( segid " " and resid 335 and name HA )) (( segid " " and resid 299 and name HN )) 3.500 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.60144E-03 ppm1 4.481 ppm2 8.230 CV 1 ASSI { 932} (( segid " " and resid 386 and name HB2 )) (( segid " " and resid 386 and name HA )) 3.700 1.700 1.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.60144E-03 ppm1 2.864 ppm2 4.085 CV 1 ASSI { 935} (( segid " " and resid 352 and name HB )) ( segid " " and resid 282 and name HD% ) 3.300 1.300 1.300 peak 935 spectrum 1 weight 0.10000E+01 volume 0.60144E-03 ppm1 1.428 ppm2 6.974 CV 1 ASSI { 937} (( segid " " and resid 388 and name HG2 )) (( segid " " and resid 391 and name HB2 )) 3.900 1.900 1.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.60669E-03 ppm1 1.594 ppm2 3.977 CV 1 OR { 937} (( segid " " and resid 388 and name HG2 )) (( segid " " and resid 391 and name HA )) ASSI { 938} (( segid " " and resid 275 and name HA )) (( segid " " and resid 407 and name HG )) 3.600 1.600 1.600 peak 938 spectrum 1 weight 0.10000E+01 volume 0.60669E-03 ppm1 5.762 ppm2 1.393 CV 1 ASSI { 940} (( segid " " and resid 369 and name HB2 )) (( segid " " and resid 368 and name HN )) 2.700 2.700 3.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.60669E-03 ppm1 1.715 ppm2 8.158 CV 1 ASSI { 947} (( segid " " and resid 375 and name HB2 )) (( segid " " and resid 375 and name HA )) 3.200 1.200 1.200 peak 947 spectrum 1 weight 0.10000E+01 volume 0.61191E-03 ppm1 1.572 ppm2 5.512 CV 1 ASSI { 953} (( segid " " and resid 290 and name HA )) (( segid " " and resid 345 and name HN )) 3.600 1.700 1.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.61713E-03 ppm1 5.268 ppm2 9.406 CV 1 ASSI { 969} (( segid " " and resid 413 and name HA )) (( segid " " and resid 412 and name HB2 )) 3.600 1.600 1.600 peak 969 spectrum 1 weight 0.10000E+01 volume 0.63283E-03 ppm1 3.667 ppm2 2.084 CV 1 ASSI { 972} (( segid " " and resid 321 and name HB2 )) (( segid " " and resid 321 and name HA )) 3.500 1.500 1.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.63805E-03 ppm1 1.682 ppm2 4.372 CV 1 ASSI { 974} (( segid " " and resid 416 and name HG2 )) (( segid " " and resid 412 and name HB2 )) 2.600 2.600 3.400 peak 974 spectrum 1 weight 0.10000E+01 volume 0.63805E-03 ppm1 2.792 ppm2 2.129 CV 1 ASSI { 978} (( segid " " and resid 297 and name HA )) (( segid " " and resid 297 and name HG2 )) 3.800 1.800 1.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.64331E-03 ppm1 5.367 ppm2 1.196 CV 1 OR { 978} (( segid " " and resid 297 and name HA )) (( segid " " and resid 297 and name HD2 )) ASSI { 981} (( segid " " and resid 336 and name HA )) (( segid " " and resid 336 and name HB2 )) 3.600 1.600 1.600 peak 981 spectrum 1 weight 0.10000E+01 volume 0.64331E-03 ppm1 5.482 ppm2 2.676 CV 1 ASSI { 983} (( segid " " and resid 350 and name HG2 )) (( segid " " and resid 350 and name HA )) 3.700 1.700 1.700 peak 983 spectrum 1 weight 0.10000E+01 volume 0.64331E-03 ppm1 2.222 ppm2 3.861 CV 1 ASSI { 984} (( segid " " and resid 334 and name HB )) (( segid " " and resid 334 and name HG1 )) 2.900 1.000 1.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.64853E-03 ppm1 4.093 ppm2 0.738 CV 1 ASSI { 986} (( segid " " and resid 348 and name HB2 )) (( segid " " and resid 348 and name HD2 )) 3.900 1.900 1.900 peak 986 spectrum 1 weight 0.10000E+01 volume 0.64853E-03 ppm1 1.890 ppm2 3.618 CV 1 ASSI { 987} (( segid " " and resid 347 and name HA )) (( segid " " and resid 347 and name HB )) 3.300 1.300 1.300 peak 987 spectrum 1 weight 0.10000E+01 volume 0.64853E-03 ppm1 4.376 ppm2 1.967 CV 1 ASSI { 990} (( segid " " and resid 375 and name HE2 )) (( segid " " and resid 375 and name HG2 )) 3.400 1.500 1.500 peak 990 spectrum 1 weight 0.10000E+01 volume 0.65375E-03 ppm1 2.402 ppm2 1.276 CV 1 ASSI { 993} (( segid " " and resid 274 and name HA1 )) (( segid " " and resid 409 and name HN )) 3.900 1.900 1.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.65900E-03 ppm1 3.541 ppm2 8.392 CV 1 ASSI { 1014} (( segid " " and resid 392 and name HB2 )) (( segid " " and resid 388 and name HG2 )) 3.200 1.200 1.200 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.69036E-03 ppm1 3.007 ppm2 1.546 CV 1 ASSI { 1015} (( segid " " and resid 384 and name HA2 )) (( segid " " and resid 391 and name HB2 )) 4.300 2.300 1.700 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.69036E-03 ppm1 3.761 ppm2 3.959 CV 1 ASSI { 1020} (( segid " " and resid 292 and name HB )) (( segid " " and resid 341 and name HA )) 3.600 1.600 1.600 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.70084E-03 ppm1 2.092 ppm2 4.300 CV 1 ASSI { 1025} (( segid " " and resid 328 and name HA )) (( segid " " and resid 341 and name HG2 )) 3.700 1.700 1.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.70606E-03 ppm1 4.833 ppm2 2.156 CV 1 ASSI { 1026} (( segid " " and resid 348 and name HA )) (( segid " " and resid 349 and name HN )) 3.200 1.300 1.300 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.70606E-03 ppm1 4.524 ppm2 9.253 CV 1 ASSI { 1030} (( segid " " and resid 301 and name HD2 )) (( segid " " and resid 305 and name HN )) 3.400 1.400 1.400 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.71653E-03 ppm1 1.792 ppm2 8.858 CV 1 ASSI { 1031} (( segid " " and resid 343 and name HA )) ( segid " " and resid 343 and name HD% ) 3.400 1.500 1.500 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.71653E-03 ppm1 4.488 ppm2 6.929 CV 1 ASSI { 1038} (( segid " " and resid 330 and name HB )) (( segid " " and resid 330 and name HA )) 3.300 1.400 1.400 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.72175E-03 ppm1 1.204 ppm2 4.193 CV 1 ASSI { 1040} (( segid " " and resid 348 and name HA )) (( segid " " and resid 348 and name HB2 )) 3.400 1.500 1.500 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.72175E-03 ppm1 4.524 ppm2 1.896 CV 1 ASSI { 1046} (( segid " " and resid 380 and name HA )) (( segid " " and resid 380 and name HB2 )) 3.100 1.200 1.200 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.72697E-03 ppm1 4.017 ppm2 2.954 CV 1 ASSI { 1047} (( segid " " and resid 344 and name HA )) (( segid " " and resid 290 and name HA )) 3.100 1.200 1.200 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.72697E-03 ppm1 5.470 ppm2 5.233 CV 1 ASSI { 1050} (( segid " " and resid 410 and name HG2 )) (( segid " " and resid 410 and name HN )) 3.900 1.900 1.900 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.73219E-03 ppm1 2.043 ppm2 8.912 CV 1 ASSI { 1052} (( segid " " and resid 314 and name HG12)) (( segid " " and resid 314 and name HA )) 3.600 1.600 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.73219E-03 ppm1 0.930 ppm2 4.731 CV 1 ASSI { 1059} (( segid " " and resid 295 and name HA )) (( segid " " and resid 336 and name HB2 )) 4.100 2.100 1.900 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.74267E-03 ppm1 5.049 ppm2 2.658 CV 1 ASSI { 1062} (( segid " " and resid 284 and name HB2 )) (( segid " " and resid 398 and name HN )) 4.300 2.300 1.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.74789E-03 ppm1 2.011 ppm2 8.347 CV 1 ASSI { 1067} (( segid " " and resid 273 and name HG )) (( segid " " and resid 301 and name HN )) 3.600 3.600 2.400 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.75311E-03 ppm1 1.585 ppm2 8.060 CV 1 ASSI { 1070} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HG2 )) 3.200 1.300 1.300 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.75837E-03 ppm1 3.999 ppm2 2.102 CV 1 ASSI { 1085} (( segid " " and resid 417 and name HA )) (( segid " " and resid 416 and name HN )) 4.000 2.000 2.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.77406E-03 ppm1 3.546 ppm2 7.450 CV 1 ASSI { 1087} (( segid " " and resid 355 and name HA )) (( segid " " and resid 355 and name HN )) 3.100 1.200 1.200 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.77928E-03 ppm1 4.833 ppm2 6.902 CV 1 ASSI { 1092} (( segid " " and resid 284 and name HA )) (( segid " " and resid 288 and name HN )) 3.700 1.700 1.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.78972E-03 ppm1 3.792 ppm2 6.615 CV 1 ASSI { 1095} (( segid " " and resid 324 and name HG2 )) (( segid " " and resid 324 and name HB2 )) 3.200 1.300 1.300 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.78972E-03 ppm1 1.628 ppm2 1.833 CV 1 OR { 1095} (( segid " " and resid 324 and name HG2 )) (( segid " " and resid 324 and name HD2 )) ASSI { 1106} (( segid " " and resid 295 and name HA )) (( segid " " and resid 339 and name HB2 )) 3.500 1.500 1.500 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.81064E-03 ppm1 5.049 ppm2 2.326 CV 1 ASSI { 1118} (( segid " " and resid 298 and name HB2 )) (( segid " " and resid 336 and name HD21)) 3.800 3.800 2.200 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.84203E-03 ppm1 2.783 ppm2 7.638 CV 1 ASSI { 1121} (( segid " " and resid 403 and name HB2 )) (( segid " " and resid 403 and name HA )) 3.100 1.200 1.200 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.84725E-03 ppm1 0.733 ppm2 3.995 CV 1 ASSI { 1122} (( segid " " and resid 346 and name HA )) (( segid " " and resid 346 and name HG2 )) 3.300 1.400 1.400 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.84725E-03 ppm1 4.883 ppm2 2.183 CV 1 ASSI { 1123} (( segid " " and resid 324 and name HB2 )) (( segid " " and resid 324 and name HA )) 3.200 1.300 1.300 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.85251E-03 ppm1 1.827 ppm2 4.632 CV 1 ASSI { 1124} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 409 and name HN )) 3.900 1.900 1.900 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.85773E-03 ppm1 2.101 ppm2 8.401 CV 1 ASSI { 1131} (( segid " " and resid 302 and name HG2 )) (( segid " " and resid 307 and name HG )) 3.300 1.400 1.400 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 2.375 ppm2 1.564 CV 1 ASSI { 1132} (( segid " " and resid 340 and name HA )) (( segid " " and resid 341 and name HB2 )) 3.900 1.900 1.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 4.080 ppm2 1.456 CV 1 ASSI { 1134} (( segid " " and resid 421 and name HA )) (( segid " " and resid 421 and name HB2 )) 3.500 1.500 1.500 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 4.026 ppm2 1.617 CV 1 ASSI { 1142} (( segid " " and resid 274 and name HA2 )) (( segid " " and resid 407 and name HB2 )) 3.400 1.400 1.400 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.88912E-03 ppm1 4.421 ppm2 0.837 CV 1 ASSI { 1151} (( segid " " and resid 356 and name HA )) (( segid " " and resid 420 and name HE2 )) 3.600 1.600 1.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.91526E-03 ppm1 4.387 ppm2 2.820 CV 1 ASSI { 1156} (( segid " " and resid 403 and name HA )) (( segid " " and resid 404 and name HD1 )) 3.500 1.500 1.500 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.92048E-03 ppm1 4.035 ppm2 7.189 CV 1 ASSI { 1157} (( segid " " and resid 280 and name HA )) (( segid " " and resid 394 and name HG )) 3.600 1.600 1.600 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.92570E-03 ppm1 5.103 ppm2 0.989 CV 1 ASSI { 1167} (( segid " " and resid 304 and name HB )) (( segid " " and resid 304 and name HA )) 3.100 1.200 1.200 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.94665E-03 ppm1 1.913 ppm2 3.672 CV 1 ASSI { 1169} (( segid " " and resid 352 and name HA )) (( segid " " and resid 352 and name HB )) 2.900 1.100 1.100 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.95709E-03 ppm1 3.905 ppm2 1.429 CV 1 ASSI { 1172} (( segid " " and resid 383 and name HB )) (( segid " " and resid 383 and name HA )) 3.100 1.200 1.200 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.96231E-03 ppm1 4.183 ppm2 4.695 CV 1 ASSI { 1174} (( segid " " and resid 419 and name HB )) (( segid " " and resid 420 and name HN )) 3.600 1.600 1.600 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.96757E-03 ppm1 1.870 ppm2 8.248 CV 1 ASSI { 1177} (( segid " " and resid 295 and name HA )) (( segid " " and resid 278 and name HA )) 2.500 2.500 3.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.97279E-03 ppm1 5.044 ppm2 5.314 CV 1 ASSI { 1179} (( segid " " and resid 303 and name HB2 )) (( segid " " and resid 307 and name HA )) 3.300 1.400 1.400 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.97801E-03 ppm1 2.465 ppm2 4.587 CV 1 ASSI { 1180} (( segid " " and resid 305 and name HA1 )) (( segid " " and resid 305 and name HN )) 3.500 1.500 1.500 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.97801E-03 ppm1 3.898 ppm2 8.813 CV 1 ASSI { 1183} (( segid " " and resid 299 and name HG )) (( segid " " and resid 334 and name HG1 )) 3.300 1.400 1.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.98323E-03 ppm1 1.792 ppm2 0.684 CV 1 ASSI { 1185} (( segid " " and resid 307 and name HB2 )) (( segid " " and resid 307 and name HG )) 3.200 1.300 1.300 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.98849E-03 ppm1 1.123 ppm2 1.501 CV 1 ASSI { 1195} (( segid " " and resid 409 and name HA )) (( segid " " and resid 409 and name HB )) 3.000 1.100 1.100 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 3.842 ppm2 1.985 CV 1 ASSI { 1196} (( segid " " and resid 281 and name HA )) (( segid " " and resid 396 and name HB2 )) 3.500 3.500 2.500 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 4.766 ppm2 2.703 CV 1 ASSI { 1208} (( segid " " and resid 342 and name HB2 )) (( segid " " and resid 342 and name HA )) 3.300 1.300 1.300 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 3.353 ppm2 4.695 CV 1 ASSI { 1212} (( segid " " and resid 283 and name HA )) (( segid " " and resid 398 and name HA )) 3.200 1.200 1.200 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.10617E-02 ppm1 4.246 ppm2 3.547 CV 1 ASSI { 1215} (( segid " " and resid 390 and name HA )) (( segid " " and resid 390 and name HN )) 3.100 1.200 1.200 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.10617E-02 ppm1 4.021 ppm2 7.629 CV 1 ASSI { 1220} (( segid " " and resid 287 and name HA2 )) (( segid " " and resid 286 and name HN )) 4.100 2.100 1.900 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.10774E-02 ppm1 3.761 ppm2 6.552 CV 1 OR { 1220} (( segid " " and resid 287 and name HA1 )) (( segid " " and resid 286 and name HN )) ASSI { 1222} (( segid " " and resid 281 and name HG2 )) (( segid " " and resid 281 and name HB2 )) 3.000 1.100 1.100 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.10826E-02 ppm1 1.047 ppm2 1.698 CV 1 ASSI { 1225} (( segid " " and resid 374 and name HA2 )) (( segid " " and resid 407 and name HB2 )) 3.600 1.700 1.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 3.842 ppm2 0.837 CV 1 ASSI { 1227} (( segid " " and resid 288 and name HA )) (( segid " " and resid 288 and name HG2 )) 3.200 1.300 1.300 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.10931E-02 ppm1 4.883 ppm2 1.232 CV 1 ASSI { 1231} (( segid " " and resid 380 and name HA )) (( segid " " and resid 355 and name HN )) 3.600 1.600 1.600 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 4.017 ppm2 6.938 CV 1 ASSI { 1235} (( segid " " and resid 281 and name HB2 )) (( segid " " and resid 394 and name HN )) 3.800 1.800 1.800 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.11140E-02 ppm1 1.670 ppm2 7.575 CV 1 ASSI { 1242} (( segid " " and resid 301 and name HA )) (( segid " " and resid 302 and name HN )) 2.900 1.100 1.100 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 3.779 ppm2 7.934 CV 1 ASSI { 1248} (( segid " " and resid 338 and name HA )) (( segid " " and resid 295 and name HB2 )) 3.000 1.100 1.100 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.11506E-02 ppm1 4.470 ppm2 2.479 CV 1 ASSI { 1255} (( segid " " and resid 278 and name HA )) ( segid " " and resid 278 and name HD% ) 3.300 1.400 1.400 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 5.331 ppm2 6.732 CV 1 ASSI { 1256} (( segid " " and resid 373 and name HA )) (( segid " " and resid 373 and name HG12)) 3.100 1.200 1.200 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 3.828 ppm2 1.555 CV 1 ASSI { 1262} (( segid " " and resid 411 and name HA )) (( segid " " and resid 375 and name HB2 )) 3.500 3.500 2.500 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.11768E-02 ppm1 3.945 ppm2 1.608 CV 1 OR { 1262} (( segid " " and resid 411 and name HA )) (( segid " " and resid 375 and name HD2 )) ASSI { 1263} (( segid " " and resid 301 and name HB2 )) (( segid " " and resid 301 and name HA )) 3.000 1.100 1.100 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 1.756 ppm2 3.780 CV 1 ASSI { 1264} (( segid " " and resid 317 and name HA )) (( segid " " and resid 317 and name HB2 )) 3.200 1.300 1.300 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 5.331 ppm2 1.788 CV 1 ASSI { 1269} (( segid " " and resid 288 and name HB2 )) (( segid " " and resid 288 and name HG2 )) 3.200 1.300 1.300 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.12029E-02 ppm1 1.352 ppm2 1.178 CV 1 ASSI { 1274} (( segid " " and resid 410 and name HA )) (( segid " " and resid 410 and name HB2 )) 3.000 1.100 1.100 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.12081E-02 ppm1 3.483 ppm2 1.958 CV 1 OR { 1274} (( segid " " and resid 410 and name HA )) (( segid " " and resid 410 and name HG2 )) ASSI { 1276} (( segid " " and resid 374 and name HA2 )) (( segid " " and resid 407 and name HN )) 3.500 1.600 1.600 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 3.828 ppm2 8.706 CV 1 ASSI { 1277} (( segid " " and resid 274 and name HA1 )) (( segid " " and resid 407 and name HB2 )) 3.000 1.100 1.100 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.12238E-02 ppm1 3.541 ppm2 0.819 CV 1 ASSI { 1279} (( segid " " and resid 348 and name HG2 )) (( segid " " and resid 348 and name HD2 )) 2.600 0.800 0.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.12238E-02 ppm1 2.002 ppm2 3.609 CV 1 ASSI { 1280} (( segid " " and resid 298 and name HA )) (( segid " " and resid 298 and name HB2 )) 3.100 1.200 1.200 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.12290E-02 ppm1 4.147 ppm2 2.784 CV 1 ASSI { 1281} (( segid " " and resid 394 and name HA )) (( segid " " and resid 394 and name HB2 )) 3.000 1.100 1.100 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.12290E-02 ppm1 3.878 ppm2 1.348 CV 1 ASSI { 1285} (( segid " " and resid 313 and name HE2 )) (( segid " " and resid 313 and name HG2 )) 3.300 1.400 1.400 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.12447E-02 ppm1 2.954 ppm2 1.303 CV 1 ASSI { 1292} (( segid " " and resid 380 and name HB2 )) (( segid " " and resid 353 and name HE21)) 3.100 1.200 1.200 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 2.987 ppm2 7.450 CV 1 ASSI { 1293} (( segid " " and resid 316 and name HB2 )) (( segid " " and resid 323 and name HB2 )) 3.600 1.700 1.700 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 0.369 ppm2 1.492 CV 1 OR { 1293} (( segid " " and resid 316 and name HB2 )) (( segid " " and resid 323 and name HG )) ASSI { 1296} (( segid " " and resid 401 and name HB )) (( segid " " and resid 401 and name HG12)) 2.900 1.100 1.100 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.12604E-02 ppm1 2.052 ppm2 1.671 CV 1 ASSI { 1297} (( segid " " and resid 340 and name HA )) (( segid " " and resid 339 and name HN )) 4.200 2.200 1.800 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.12657E-02 ppm1 4.089 ppm2 8.033 CV 1 ASSI { 1300} (( segid " " and resid 330 and name HB )) (( segid " " and resid 330 and name HG12)) 3.100 1.200 1.200 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.12709E-02 ppm1 1.213 ppm2 0.424 CV 1 ASSI { 1303} (( segid " " and resid 271 and name HA )) (( segid " " and resid 271 and name HG2 )) 3.400 1.400 1.400 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.12814E-02 ppm1 4.151 ppm2 2.129 CV 1 ASSI { 1311} (( segid " " and resid 317 and name HA )) (( segid " " and resid 323 and name HB2 )) 3.100 1.200 1.200 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.12866E-02 ppm1 5.327 ppm2 1.537 CV 1 OR { 1311} (( segid " " and resid 317 and name HA )) (( segid " " and resid 323 and name HG )) ASSI { 1313} (( segid " " and resid 293 and name HA )) (( segid " " and resid 341 and name HB2 )) 3.200 1.300 1.300 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.12918E-02 ppm1 4.035 ppm2 1.375 CV 1 ASSI { 1324} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HB2 )) 3.000 1.100 1.100 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.13494E-02 ppm1 3.546 ppm2 0.998 CV 1 OR { 1324} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HG )) ASSI { 1333} (( segid " " and resid 325 and name HB2 )) (( segid " " and resid 325 and name HA )) 2.800 1.000 1.000 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.13964E-02 ppm1 1.567 ppm2 5.305 CV 1 ASSI { 1335} (( segid " " and resid 307 and name HG )) (( segid " " and resid 334 and name HG1 )) 3.600 3.600 2.400 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.14069E-02 ppm1 1.500 ppm2 0.747 CV 1 ASSI { 1348} (( segid " " and resid 276 and name HA )) (( segid " " and resid 298 and name HN )) 3.700 3.700 2.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.14435E-02 ppm1 5.215 ppm2 8.598 CV 1 ASSI { 1358} (( segid " " and resid 324 and name HE2 )) (( segid " " and resid 324 and name HD2 )) 2.800 1.000 1.000 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.14696E-02 ppm1 3.081 ppm2 1.896 CV 1 OR { 1358} (( segid " " and resid 324 and name HE2 )) (( segid " " and resid 324 and name HB2 )) ASSI { 1362} (( segid " " and resid 280 and name HG )) (( segid " " and resid 394 and name HG )) 3.300 1.400 1.400 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.14906E-02 ppm1 1.330 ppm2 1.034 CV 1 ASSI { 1371} (( segid " " and resid 354 and name HA )) (( segid " " and resid 354 and name HB2 )) 2.900 1.100 1.100 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.15324E-02 ppm1 3.990 ppm2 1.734 CV 1 ASSI { 1373} (( segid " " and resid 317 and name HB2 )) (( segid " " and resid 420 and name HG2 )) 3.100 3.100 2.900 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.15429E-02 ppm1 1.794 ppm2 1.303 CV 1 ASSI { 1378} (( segid " " and resid 281 and name HB2 )) (( segid " " and resid 394 and name HB2 )) 3.700 1.700 1.700 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.15638E-02 ppm1 1.673 ppm2 1.294 CV 1 ASSI { 1381} (( segid " " and resid 358 and name HA )) (( segid " " and resid 376 and name HN )) 3.400 1.400 1.400 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.15795E-02 ppm1 4.273 ppm2 8.921 CV 1 ASSI { 1386} (( segid " " and resid 275 and name HB2 )) (( segid " " and resid 298 and name HB2 )) 2.800 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 2.290 ppm2 2.784 CV 1 ASSI { 1393} (( segid " " and resid 337 and name HA )) (( segid " " and resid 299 and name HB2 )) 3.300 3.300 2.700 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.16631E-02 ppm1 4.178 ppm2 1.321 CV 1 ASSI { 1396} (( segid " " and resid 387 and name HA )) (( segid " " and resid 280 and name HG )) 3.700 3.700 2.300 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.16736E-02 ppm1 4.174 ppm2 1.357 CV 1 OR { 1396} (( segid " " and resid 387 and name HA )) (( segid " " and resid 280 and name HB2 )) ASSI { 1402} (( segid " " and resid 367 and name HA )) (( segid " " and resid 367 and name HB )) 2.900 1.100 1.100 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.16893E-02 ppm1 4.057 ppm2 1.698 CV 1 ASSI { 1405} (( segid " " and resid 284 and name HD2 )) (( segid " " and resid 283 and name HN )) 3.500 1.500 1.500 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.16945E-02 ppm1 4.008 ppm2 7.468 CV 1 ASSI { 1411} (( segid " " and resid 391 and name HB2 )) (( segid " " and resid 388 and name HG2 )) 3.300 1.300 1.300 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.17259E-02 ppm1 4.003 ppm2 1.617 CV 1 ASSI { 1416} (( segid " " and resid 285 and name HB )) (( segid " " and resid 285 and name HA )) 2.900 1.100 1.100 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.17468E-02 ppm1 4.062 ppm2 3.825 CV 1 ASSI { 1420} (( segid " " and resid 271 and name HB2 )) (( segid " " and resid 271 and name HA )) 2.800 1.000 1.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.17625E-02 ppm1 1.850 ppm2 4.130 CV 1 ASSI { 1433} (( segid " " and resid 381 and name HB2 )) (( segid " " and resid 381 and name HA )) 2.900 1.000 1.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.18567E-02 ppm1 2.996 ppm2 4.228 CV 1 ASSI { 1446} (( segid " " and resid 297 and name HB2 )) (( segid " " and resid 297 and name HG2 )) 2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.19247E-02 ppm1 1.711 ppm2 1.205 CV 1 OR { 1446} (( segid " " and resid 297 and name HB2 )) (( segid " " and resid 297 and name HD2 )) ASSI { 1452} (( segid " " and resid 393 and name HA )) (( segid " " and resid 399 and name HG2 )) 2.500 0.800 0.800 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.19613E-02 ppm1 3.932 ppm2 1.608 CV 1 ASSI { 1455} (( segid " " and resid 375 and name HA )) (( segid " " and resid 407 and name HB2 )) 3.300 1.400 1.400 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.19770E-02 ppm1 5.524 ppm2 0.810 CV 1 ASSI { 1457} (( segid " " and resid 368 and name HA1 )) (( segid " " and resid 369 and name HN )) 2.800 1.000 1.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.19822E-02 ppm1 4.075 ppm2 8.033 CV 1 ASSI { 1463} (( segid " " and resid 420 and name HA )) (( segid " " and resid 356 and name HG2 )) 3.500 3.500 2.500 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.20292E-02 ppm1 4.290 ppm2 1.940 CV 1 ASSI { 1480} (( segid " " and resid 347 and name HA )) (( segid " " and resid 348 and name HD2 )) 3.000 1.100 1.100 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.21496E-02 ppm1 4.367 ppm2 3.618 CV 1 ASSI { 1481} (( segid " " and resid 409 and name HA )) (( segid " " and resid 362 and name HG )) 2.100 2.100 3.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.21600E-02 ppm1 3.842 ppm2 1.097 CV 1 ASSI { 1488} (( segid " " and resid 271 and name HB2 )) (( segid " " and resid 273 and name HG )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.22123E-02 ppm1 1.850 ppm2 1.555 CV 1 ASSI { 1505} (( segid " " and resid 411 and name HG2 )) (( segid " " and resid 410 and name HN )) 3.100 1.200 1.200 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.23274E-02 ppm1 2.240 ppm2 8.939 CV 1 ASSI { 1510} (( segid " " and resid 273 and name HG )) (( segid " " and resid 273 and name HB2 )) 2.700 0.900 0.900 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.24006E-02 ppm1 1.536 ppm2 1.267 CV 1 ASSI { 1512} (( segid " " and resid 292 and name HA )) (( segid " " and resid 278 and name HB2 )) 2.900 2.900 3.100 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.24110E-02 ppm1 4.802 ppm2 3.071 CV 1 ASSI { 1515} (( segid " " and resid 306 and name HA1 )) (( segid " " and resid 306 and name HA2 )) 2.400 0.700 0.700 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.24215E-02 ppm1 4.268 ppm2 3.556 CV 1 ASSI { 1516} (( segid " " and resid 414 and name HB2 )) (( segid " " and resid 414 and name HA )) 2.700 0.900 0.900 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.24267E-02 ppm1 2.411 ppm2 4.004 CV 1 ASSI { 1521} (( segid " " and resid 292 and name HA )) (( segid " " and resid 342 and name HN )) 3.000 1.200 1.200 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.24686E-02 ppm1 4.829 ppm2 8.006 CV 1 ASSI { 1522} (( segid " " and resid 301 and name HE2 )) (( segid " " and resid 272 and name HB2 )) 2.100 2.100 3.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.24686E-02 ppm1 3.129 ppm2 1.878 CV 1 ASSI { 1524} (( segid " " and resid 407 and name HA )) (( segid " " and resid 407 and name HB2 )) 2.800 0.900 0.900 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.24895E-02 ppm1 3.900 ppm2 0.819 CV 1 ASSI { 1539} (( segid " " and resid 385 and name HA )) (( segid " " and resid 388 and name HB2 )) 3.200 1.300 1.300 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.25993E-02 ppm1 4.089 ppm2 1.842 CV 1 ASSI { 1540} (( segid " " and resid 368 and name HA2 )) (( segid " " and resid 369 and name HN )) 3.000 1.100 1.100 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.26255E-02 ppm1 3.671 ppm2 8.033 CV 1 ASSI { 1543} (( segid " " and resid 325 and name HG2 )) (( segid " " and resid 326 and name HD2 )) 2.900 2.900 3.100 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.26516E-02 ppm1 0.993 ppm2 2.057 CV 1 ASSI { 1545} (( segid " " and resid 317 and name HA )) (( segid " " and resid 316 and name HN )) 2.900 2.900 3.100 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.26778E-02 ppm1 5.331 ppm2 8.347 CV 1 ASSI { 1550} (( segid " " and resid 297 and name HE2 )) (( segid " " and resid 297 and name HD2 )) 2.500 0.800 0.800 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.27301E-02 ppm1 1.787 ppm2 1.178 CV 1 OR { 1550} (( segid " " and resid 297 and name HE2 )) (( segid " " and resid 297 and name HG2 )) ASSI { 1552} (( segid " " and resid 421 and name HE2 )) (( segid " " and resid 420 and name HG2 )) 2.600 0.900 0.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.27510E-02 ppm1 2.895 ppm2 1.303 CV 1 ASSI { 1559} (( segid " " and resid 320 and name HA1 )) (( segid " " and resid 320 and name HA2 )) 2.300 0.600 0.600 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.28818E-02 ppm1 3.472 ppm2 3.888 CV 1 ASSI { 1563} (( segid " " and resid 368 and name HA1 )) (( segid " " and resid 368 and name HA2 )) 2.300 0.700 0.700 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.29654E-02 ppm1 4.075 ppm2 3.663 CV 1 ASSI { 1566} (( segid " " and resid 407 and name HG )) (( segid " " and resid 407 and name HB2 )) 2.500 0.800 0.800 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.29759E-02 ppm1 1.433 ppm2 0.828 CV 1 ASSI { 1572} (( segid " " and resid 386 and name HB2 )) (( segid " " and resid 386 and name HG2 )) 2.800 1.000 1.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.30125E-02 ppm1 2.864 ppm2 1.546 CV 1 ASSI { 1576} (( segid " " and resid 324 and name HG2 )) (( segid " " and resid 323 and name HG )) 3.000 1.100 1.100 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.30543E-02 ppm1 1.628 ppm2 1.546 CV 1 ASSI { 1577} (( segid " " and resid 284 and name HD2 )) (( segid " " and resid 288 and name HG2 )) 3.400 3.400 2.600 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.30596E-02 ppm1 4.008 ppm2 1.214 CV 1 ASSI { 1582} (( segid " " and resid 346 and name HA )) (( segid " " and resid 346 and name HB2 )) 2.700 0.900 0.900 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.31171E-02 ppm1 4.883 ppm2 1.985 CV 1 ASSI { 1595} (( segid " " and resid 300 and name HA )) (( segid " " and resid 300 and name HD2 )) 2.600 0.900 0.900 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.32322E-02 ppm1 3.891 ppm2 1.591 CV 1 ASSI { 1596} (( segid " " and resid 284 and name HA )) (( segid " " and resid 284 and name HB2 )) 2.700 0.900 0.900 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.32478E-02 ppm1 3.801 ppm2 1.985 CV 1 ASSI { 1614} (( segid " " and resid 323 and name HA )) (( segid " " and resid 323 and name HB2 )) 2.500 0.800 0.800 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.34257E-02 ppm1 4.329 ppm2 1.537 CV 1 OR { 1614} (( segid " " and resid 323 and name HA )) (( segid " " and resid 323 and name HG )) ASSI { 1616} (( segid " " and resid 384 and name HA2 )) (( segid " " and resid 388 and name HD2 )) 2.900 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.34727E-02 ppm1 3.752 ppm2 3.250 CV 1 ASSI { 1639} (( segid " " and resid 314 and name HG12)) (( segid " " and resid 316 and name HB2 )) 3.100 3.100 2.900 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.38547E-02 ppm1 0.926 ppm2 0.370 CV 1 ASSI { 1652} (( segid " " and resid 365 and name HB2 )) (( segid " " and resid 370 and name HB2 )) 2.700 0.900 0.900 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.39903E-02 ppm1 2.352 ppm2 2.865 CV 1 ASSI { 1653} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HB )) 2.400 0.700 0.700 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.40061E-02 ppm1 3.653 ppm2 1.653 CV 1 ASSI { 1658} (( segid " " and resid 373 and name HA )) (( segid " " and resid 362 and name HG )) 2.800 2.800 3.200 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.41161E-02 ppm1 3.846 ppm2 1.124 CV 1 ASSI { 1666} (( segid " " and resid 361 and name HB )) (( segid " " and resid 372 and name HA )) 3.200 3.200 2.800 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.43043E-02 ppm1 1.747 ppm2 4.211 CV 1 ASSI { 1667} (( segid " " and resid 354 and name HA )) (( segid " " and resid 354 and name HD2 )) 2.900 2.900 3.100 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.43094E-02 ppm1 4.030 ppm2 1.375 CV 1 ASSI { 1668} (( segid " " and resid 350 and name HA )) (( segid " " and resid 350 and name HB2 )) 2.600 0.800 0.800 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.43671E-02 ppm1 3.860 ppm2 1.905 CV 1 ASSI { 1670} (( segid " " and resid 271 and name HG2 )) (( segid " " and resid 271 and name HB2 )) 2.600 0.800 0.800 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.43774E-02 ppm1 2.137 ppm2 1.878 CV 1 ASSI { 1672} (( segid " " and resid 295 and name HB2 )) (( segid " " and resid 295 and name HG2 )) 2.700 0.900 0.900 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.45553E-02 ppm1 2.438 ppm2 1.905 CV 1 ASSI { 1679} (( segid " " and resid 286 and name HA )) (( segid " " and resid 288 and name HG2 )) 2.800 2.800 3.200 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.46653E-02 ppm1 4.376 ppm2 1.196 CV 1 ASSI { 1680} (( segid " " and resid 420 and name HB2 )) (( segid " " and resid 420 and name HG2 )) 2.400 0.700 0.700 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.47697E-02 ppm1 1.760 ppm2 1.303 CV 1 ASSI { 1681} (( segid " " and resid 297 and name HD2 )) (( segid " " and resid 336 and name HB2 )) 2.800 1.000 1.000 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.47752E-02 ppm1 1.204 ppm2 2.703 CV 1 ASSI { 1682} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 409 and name HN )) 2.600 2.600 3.400 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.47855E-02 ppm1 1.967 ppm2 8.416 CV 1 ASSI { 1684} (( segid " " and resid 324 and name HB2 )) (( segid " " and resid 323 and name HG )) 2.200 0.600 0.600 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.48013E-02 ppm1 1.832 ppm2 1.555 CV 1 ASSI { 1689} (( segid " " and resid 278 and name HB2 )) (( segid " " and resid 276 and name HB )) 3.400 1.500 1.500 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.50262E-02 ppm1 3.034 ppm2 1.492 CV 1 ASSI { 1693} (( segid " " and resid 301 and name HA )) (( segid " " and resid 335 and name HG )) 2.300 0.600 0.600 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.51148E-02 ppm1 3.775 ppm2 1.644 CV 1 ASSI { 1703} (( segid " " and resid 293 and name HG12)) (( segid " " and resid 341 and name HB2 )) 2.800 0.900 0.900 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.54391E-02 ppm1 0.998 ppm2 1.429 CV 1 ASSI { 1704} (( segid " " and resid 293 and name HB )) (( segid " " and resid 293 and name HA )) 2.200 2.200 3.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.55960E-02 ppm1 2.083 ppm2 4.040 CV 1 ASSI { 1708} (( segid " " and resid 377 and name HB2 )) (( segid " " and resid 416 and name HG2 )) 2.600 0.800 0.800 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.58052E-02 ppm1 2.557 ppm2 2.793 CV 1 ASSI { 1719} (( segid " " and resid 289 and name HG )) (( segid " " and resid 394 and name HB2 )) 2.600 2.600 3.400 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.65375E-02 ppm1 1.581 ppm2 1.276 CV 1 ASSI { 1723} (( segid " " and resid 411 and name HA )) (( segid " " and resid 411 and name HB2 )) 2.500 0.800 0.800 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.65900E-02 ppm1 3.958 ppm2 1.914 CV 1 ASSI { 1738} (( segid " " and resid 348 and name HD2 )) (( segid " " and resid 347 and name HB )) 2.000 0.500 0.500 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.76881E-02 ppm1 3.613 ppm2 1.940 CV 1 ASSI { 1741} (( segid " " and resid 407 and name HG )) (( segid " " and resid 276 and name HB )) 2.300 2.300 3.700 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.80020E-02 ppm1 1.442 ppm2 1.465 CV 1 ASSI { 1744} (( segid " " and resid 319 and name HB2 )) (( segid " " and resid 321 and name HE2 )) 2.300 0.700 0.700 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.82634E-02 ppm1 2.507 ppm2 2.981 CV 1 ASSI { 1745} (( segid " " and resid 301 and name HE2 )) (( segid " " and resid 300 and name HD2 )) 1.700 1.700 4.300 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.83159E-02 ppm1 3.133 ppm2 1.564 CV 1 ASSI { 1760} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 410 and name HN )) 2.000 0.500 0.500 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.92570E-02 ppm1 1.962 ppm2 8.909 CV 1 ASSI { 1768} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 375 and name HB2 )) 2.400 2.400 3.600 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.99893E-02 ppm1 2.088 ppm2 1.564 CV 1 ASSI { 1780} (( segid " " and resid 310 and name HB2 )) (( segid " " and resid 299 and name HB2 )) 2.700 2.700 3.300 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.11454E-01 ppm1 1.626 ppm2 1.303 CV 1 ASSI { 1786} (( segid " " and resid 368 and name HA2 )) (( segid " " and resid 366 and name HA )) 1.600 1.600 4.400 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.12500E-01 ppm1 3.662 ppm2 3.816 CV 1 ASSI { 1787} (( segid " " and resid 301 and name HG2 )) (( segid " " and resid 300 and name HD2 )) 2.300 2.300 3.700 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.12552E-01 ppm1 1.204 ppm2 1.564 CV 1 ASSI { 1789} (( segid " " and resid 344 and name HB2 )) (( segid " " and resid 344 and name HA )) 2.000 0.500 0.500 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.12814E-01 ppm1 3.514 ppm2 5.467 CV 1 ASSI { 1791} (( segid " " and resid 358 and name HB )) (( segid " " and resid 358 and name HA )) 1.900 0.500 0.500 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.12866E-01 ppm1 1.895 ppm2 4.300 CV 1 ASSI { 1806} (( segid " " and resid 421 and name HE2 )) (( segid " " and resid 421 and name HD2 )) 2.100 0.500 0.500 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.16684E-01 ppm1 2.895 ppm2 1.599 CV 1 OR { 1806} (( segid " " and resid 421 and name HE2 )) (( segid " " and resid 421 and name HB2 )) ASSI { 1814} (( segid " " and resid 321 and name HE2 )) (( segid " " and resid 321 and name HD2 )) 1.900 1.900 4.100 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.18514E-01 ppm1 2.949 ppm2 1.599 CV 1 ASSI { 1818} (( segid " " and resid 273 and name HA )) (( segid " " and resid 273 and name HG )) 1.900 1.900 4.100 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.21443E-01 ppm1 4.169 ppm2 1.599 CV 1 ASSI { 1819} (( segid " " and resid 350 and name HG2 )) (( segid " " and resid 348 and name HG2 )) 1.900 0.400 0.400 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.21600E-01 ppm1 2.245 ppm2 1.994 CV 1 ASSI { 1862} (( segid " " and resid 420 and name HG2 )) (( segid " " and resid 421 and name HG2 )) 1.200 0.200 1.000 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.73745E-01 ppm1 1.318 ppm2 1.241 CV 1 ASSI { 1870} (( segid " " and resid 300 and name HG2 )) (( segid " " and resid 301 and name HG2 )) 1.600 0.300 0.600 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.16370E+00 ppm1 1.401 ppm2 1.259 CV 1
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