NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
478174 | 2kwh | 15524 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} (( segid " " and resid 403 and name H )) ( segid " " and resid 402 and name HG2%) 2.800 1.000 1.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.20278E-02 ppm1 7.693 ppm2 0.718 CV 1 OR { 2} (( segid " " and resid 403 and name H )) ( segid " " and resid 402 and name HD1%) ASSI { 6} (( segid " " and resid 445 and name H )) (( segid " " and resid 444 and name HG2 )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.15053E-02 ppm1 7.875 ppm2 1.617 CV 1 OR { 6} (( segid " " and resid 445 and name H )) (( segid " " and resid 444 and name HG3 )) ASSI { 18} (( segid " " and resid 439 and name H )) ( segid " " and resid 439 and name HD2%) 3.700 1.700 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.22206E-02 ppm1 8.525 ppm2 0.764 CV 1 OR { 18} (( segid " " and resid 439 and name H )) ( segid " " and resid 439 and name HD1%) ASSI { 22} (( segid " " and resid 436 and name H )) (( segid " " and resid 436 and name HG )) 2.400 0.700 0.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.34708E-02 ppm1 8.654 ppm2 1.555 CV 1 ASSI { 29} (( segid " " and resid 394 and name H )) (( segid " " and resid 393 and name HB3 )) 3.300 1.400 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.10263E-02 ppm1 8.146 ppm2 2.050 CV 1 ASSI { 36} (( segid " " and resid 430 and name HE1 )) ( segid " " and resid 429 and name HD1%) 3.600 1.600 1.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.14555E-02 ppm1 10.135 ppm2 0.592 CV 1 ASSI { 38} (( segid " " and resid 431 and name H )) (( segid " " and resid 430 and name HB3 )) 2.500 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.53120E-02 ppm1 7.937 ppm2 3.343 CV 1 OR { 38} (( segid " " and resid 431 and name H )) (( segid " " and resid 430 and name HB2 )) ASSI { 45} (( segid " " and resid 393 and name H )) (( segid " " and resid 393 and name HA )) 3.100 1.200 1.200 peak 45 spectrum 1 weight 0.10000E+01 volume 0.14182E-02 ppm1 8.824 ppm2 4.412 CV 1 ASSI { 47} (( segid " " and resid 409 and name H )) (( segid " " and resid 408 and name HB2 )) 3.200 1.200 1.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.23263E-02 ppm1 8.700 ppm2 1.740 CV 1 OR { 47} (( segid " " and resid 409 and name H )) (( segid " " and resid 408 and name HB3 )) ASSI { 54} (( segid " " and resid 413 and name H )) ( segid " " and resid 412 and name HD2%) 3.900 1.900 1.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.13373E-02 ppm1 8.327 ppm2 0.694 CV 1 ASSI { 55} (( segid " " and resid 424 and name H )) (( segid " " and resid 427 and name HB2 )) 3.900 1.900 1.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.77130E-03 ppm1 8.290 ppm2 2.056 CV 1 OR { 55} (( segid " " and resid 424 and name H )) (( segid " " and resid 427 and name HB3 )) ASSI { 58} (( segid " " and resid 412 and name H )) ( segid " " and resid 412 and name HD2%) 3.200 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.23885E-02 ppm1 8.189 ppm2 0.692 CV 1 ASSI { 65} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 434 and name HB3 )) 3.700 1.700 1.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.53493E-03 ppm1 10.134 ppm2 1.869 CV 1 OR { 65} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 434 and name HB2 )) ASSI { 68} (( segid " " and resid 429 and name H )) ( segid " " and resid 412 and name HD2%) 2.900 1.100 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.25689E-02 ppm1 7.989 ppm2 0.698 CV 1 ASSI { 75} (( segid " " and resid 428 and name H )) ( segid " " and resid 416 and name HD1%) 3.400 3.400 2.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.19469E-02 ppm1 7.691 ppm2 0.847 CV 1 ASSI { 77} (( segid " " and resid 420 and name H )) ( segid " " and resid 420 and name HD1%) 2.900 1.000 1.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.55050E-02 ppm1 7.640 ppm2 0.847 CV 1 OR { 77} (( segid " " and resid 420 and name H )) ( segid " " and resid 420 and name HG2%) ASSI { 78} (( segid " " and resid 420 and name H )) ( segid " " and resid 420 and name HD1%) 3.200 1.300 1.300 peak 78 spectrum 1 weight 0.10000E+01 volume 0.29421E-02 ppm1 7.637 ppm2 0.716 CV 1 ASSI { 80} (( segid " " and resid 441 and name H )) (( segid " " and resid 445 and name HG3 )) 3.800 1.800 1.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11009E-02 ppm1 7.583 ppm2 2.271 CV 1 ASSI { 85} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 408 and name HB3 )) 3.600 1.600 1.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.85837E-03 ppm1 7.251 ppm2 1.748 CV 1 OR { 85} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 408 and name HB2 )) ASSI { 97} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 429 and name HB3 )) 3.300 1.300 1.300 peak 97 spectrum 1 weight 0.10000E+01 volume 0.85218E-03 ppm1 6.970 ppm2 1.699 CV 1 OR { 97} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 429 and name HB2 )) ASSI { 100} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 433 and name HB2 )) 3.500 1.500 1.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 7.208 ppm2 2.204 CV 1 OR { 100} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 433 and name HG2 )) ASSI { 101} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 434 and name HB3 )) 3.400 1.500 1.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 7.209 ppm2 1.866 CV 1 OR { 101} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 434 and name HB2 )) ASSI { 104} (( segid " " and resid 395 and name HE21)) ( segid " " and resid 398 and name HG2%) 3.000 1.100 1.100 peak 104 spectrum 1 weight 0.10000E+01 volume 0.11818E-02 ppm1 6.899 ppm2 0.849 CV 1 ASSI { 106} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 408 and name H )) 2.300 0.600 0.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.45780E-02 ppm1 3.223 ppm2 7.745 CV 1 OR { 106} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 408 and name H )) ASSI { 113} (( segid " " and resid 397 and name HA2 )) (( segid " " and resid 394 and name HB )) 2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.43665E-02 ppm1 3.855 ppm2 4.406 CV 1 ASSI { 115} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HB3 )) 2.500 0.800 0.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.47709E-02 ppm1 4.175 ppm2 3.168 CV 1 OR { 115} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HB2 )) ASSI { 117} (( segid " " and resid 400 and name HA )) (( segid " " and resid 403 and name HD3 )) 2.800 1.000 1.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.26498E-02 ppm1 4.083 ppm2 3.202 CV 1 OR { 117} (( segid " " and resid 400 and name HA )) (( segid " " and resid 403 and name HD2 )) ASSI { 123} (( segid " " and resid 410 and name HA )) (( segid " " and resid 413 and name HB2 )) 2.800 1.000 1.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.20589E-02 ppm1 4.365 ppm2 3.167 CV 1 OR { 123} (( segid " " and resid 410 and name HA )) (( segid " " and resid 413 and name HB3 )) ASSI { 127} (( segid " " and resid 412 and name HA )) (( segid " " and resid 415 and name HB3 )) 3.500 1.500 1.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.30417E-02 ppm1 4.051 ppm2 2.766 CV 1 ASSI { 129} (( segid " " and resid 407 and name HA )) (( segid " " and resid 410 and name HB3 )) 2.900 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.23201E-02 ppm1 4.266 ppm2 2.746 CV 1 OR { 129} (( segid " " and resid 407 and name HA )) (( segid " " and resid 410 and name HB2 )) ASSI { 131} (( segid " " and resid 410 and name HA )) (( segid " " and resid 410 and name HB2 )) 2.900 1.000 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.20215E-02 ppm1 4.349 ppm2 2.753 CV 1 OR { 131} (( segid " " and resid 410 and name HA )) (( segid " " and resid 410 and name HB3 )) ASSI { 134} (( segid " " and resid 405 and name HA )) (( segid " " and resid 405 and name HG2 )) 2.800 1.000 1.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.14928E-02 ppm1 4.186 ppm2 2.628 CV 1 ASSI { 140} (( segid " " and resid 415 and name HA )) (( segid " " and resid 415 and name HB3 )) 3.300 1.300 1.300 peak 140 spectrum 1 weight 0.10000E+01 volume 0.87707E-03 ppm1 4.422 ppm2 2.754 CV 1 ASSI { 141} (( segid " " and resid 406 and name HA )) (( segid " " and resid 406 and name HG3 )) 3.200 1.300 1.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.20029E-02 ppm1 3.863 ppm2 2.496 CV 1 ASSI { 144} (( segid " " and resid 398 and name HA )) (( segid " " and resid 401 and name HB2 )) 2.200 0.600 0.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.59091E-02 ppm1 3.778 ppm2 2.063 CV 1 OR { 144} (( segid " " and resid 398 and name HA )) (( segid " " and resid 401 and name HB3 )) ASSI { 151} (( segid " " and resid 398 and name HA )) (( segid " " and resid 401 and name HG3 )) 3.300 1.400 1.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.20153E-02 ppm1 3.776 ppm2 2.264 CV 1 OR { 151} (( segid " " and resid 398 and name HA )) (( segid " " and resid 401 and name HG2 )) ASSI { 177} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HB3 )) 2.500 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.50881E-02 ppm1 4.232 ppm2 1.792 CV 1 OR { 177} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HB2 )) ASSI { 185} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HG2 )) 2.600 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.40866E-02 ppm1 3.835 ppm2 1.344 CV 1 OR { 185} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HG3 )) ASSI { 186} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HG3 )) 2.500 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.34584E-02 ppm1 3.972 ppm2 1.254 CV 1 OR { 186} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HG2 )) ASSI { 187} (( segid " " and resid 405 and name HA )) (( segid " " and resid 405 and name HG3 )) 2.800 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.33153E-02 ppm1 4.173 ppm2 2.168 CV 1 ASSI { 188} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HG2 )) 2.800 1.000 1.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.31598E-02 ppm1 3.985 ppm2 2.354 CV 1 OR { 188} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HG3 )) ASSI { 192} (( segid " " and resid 405 and name HA )) (( segid " " and resid 405 and name HB2 )) 2.700 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.26747E-02 ppm1 4.184 ppm2 1.970 CV 1 OR { 192} (( segid " " and resid 405 and name HA )) (( segid " " and resid 405 and name HB3 )) ASSI { 198} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HG2 )) 2.900 1.100 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.21584E-02 ppm1 3.919 ppm2 2.358 CV 1 ASSI { 207} (( segid " " and resid 417 and name HA )) (( segid " " and resid 420 and name HG12)) 3.300 1.300 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.11134E-02 ppm1 4.121 ppm2 1.151 CV 1 ASSI { 222} (( segid " " and resid 402 and name HA )) (( segid " " and resid 405 and name HB3 )) 2.800 1.000 1.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.17852E-02 ppm1 3.379 ppm2 1.969 CV 1 OR { 222} (( segid " " and resid 402 and name HA )) (( segid " " and resid 405 and name HB2 )) ASSI { 230} (( segid " " and resid 432 and name HA )) ( segid " " and resid 432 and name HG1%) 2.200 0.600 0.600 peak 230 spectrum 1 weight 0.10000E+01 volume 0.11209E-01 ppm1 3.628 ppm2 1.020 CV 1 OR { 230} (( segid " " and resid 432 and name HA )) ( segid " " and resid 432 and name HG2%) ASSI { 234} (( segid " " and resid 436 and name HA )) (( segid " " and resid 398 and name HG12)) 2.300 0.700 0.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.72836E-02 ppm1 3.917 ppm2 0.958 CV 1 OR { 234} (( segid " " and resid 436 and name HA )) (( segid " " and resid 398 and name HG13)) ASSI { 235} (( segid " " and resid 439 and name HA )) ( segid " " and resid 439 and name HD2%) 2.300 0.700 0.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.71408E-02 ppm1 3.917 ppm2 0.764 CV 1 OR { 235} (( segid " " and resid 439 and name HA )) ( segid " " and resid 439 and name HD1%) ASSI { 250} (( segid " " and resid 426 and name HA )) ( segid " " and resid 429 and name HD2%) 2.600 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.22268E-02 ppm1 3.721 ppm2 0.605 CV 1 ASSI { 268} (( segid " " and resid 417 and name HE21)) (( segid " " and resid 417 and name HB3 )) 3.600 1.600 1.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.80239E-03 ppm1 7.358 ppm2 2.021 CV 1 OR { 268} (( segid " " and resid 417 and name HE21)) (( segid " " and resid 417 and name HB2 )) ASSI { 269} (( segid " " and resid 435 and name HG12)) (( segid " " and resid 435 and name HG13)) 1.800 0.400 0.400 peak 269 spectrum 1 weight 0.10000E+01 volume 0.85277E-02 ppm1 1.662 ppm2 1.003 CV 1 ASSI { 271} (( segid " " and resid 409 and name HG )) ( segid " " and resid 409 and name HD1%) 2.200 0.600 0.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.76758E-02 ppm1 1.487 ppm2 0.804 CV 1 OR { 271} (( segid " " and resid 409 and name HG )) ( segid " " and resid 409 and name HD2%) ASSI { 278} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 433 and name HB2 )) 4.000 2.000 2.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.77130E-03 ppm1 7.237 ppm2 2.157 CV 1 ASSI { 283} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 398 and name HG13)) 2.200 2.200 3.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.45469E-02 ppm1 1.561 ppm2 0.960 CV 1 OR { 283} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 398 and name HG12)) ASSI { 291} (( segid " " and resid 429 and name HB3 )) ( segid " " and resid 429 and name HD2%) 2.500 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.34273E-02 ppm1 1.717 ppm2 0.596 CV 1 OR { 291} (( segid " " and resid 429 and name HB2 )) ( segid " " and resid 429 and name HD1%) OR { 291} (( segid " " and resid 429 and name HB2 )) ( segid " " and resid 429 and name HD2%) OR { 291} (( segid " " and resid 429 and name HB3 )) ( segid " " and resid 429 and name HD1%) ASSI { 294} (( segid " " and resid 417 and name HE21)) (( segid " " and resid 414 and name HB2 )) 3.000 3.000 3.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.73396E-03 ppm1 7.374 ppm2 1.896 CV 1 OR { 294} (( segid " " and resid 417 and name HE21)) (( segid " " and resid 414 and name HB3 )) ASSI { 301} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 407 and name HA )) 2.300 0.600 0.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.81796E-02 ppm1 3.231 ppm2 4.264 CV 1 OR { 301} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 407 and name HA )) ASSI { 307} (( segid " " and resid 431 and name HG3 )) ( segid " " and resid 435 and name HD1%) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.21770E-02 ppm1 2.339 ppm2 0.781 CV 1 OR { 307} (( segid " " and resid 431 and name HG2 )) ( segid " " and resid 435 and name HD1%) OR { 307} (( segid " " and resid 431 and name HG3 )) ( segid " " and resid 435 and name HG2%) OR { 307} (( segid " " and resid 431 and name HG2 )) ( segid " " and resid 435 and name HG2%) ASSI { 315} (( segid " " and resid 406 and name HG3 )) (( segid " " and resid 402 and name HG13)) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.18163E-02 ppm1 2.499 ppm2 0.766 CV 1 OR { 315} (( segid " " and resid 406 and name HG3 )) (( segid " " and resid 402 and name HG12)) OR { 315} (( segid " " and resid 406 and name HG3 )) ( segid " " and resid 402 and name HD1%) ASSI { 327} (( segid " " and resid 420 and name HB )) (( segid " " and resid 420 and name HG12)) 2.700 0.900 0.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.27928E-02 ppm1 1.806 ppm2 1.155 CV 1 ASSI { 330} (( segid " " and resid 409 and name HG )) ( segid " " and resid 429 and name HD1%) 3.600 1.600 1.600 peak 330 spectrum 1 weight 0.10000E+01 volume 0.13187E-02 ppm1 1.512 ppm2 0.608 CV 1 OR { 330} (( segid " " and resid 409 and name HG )) ( segid " " and resid 429 and name HD2%) ASSI { 340} (( segid " " and resid 406 and name HG3 )) ( segid " " and resid 436 and name HD1%) 3.600 1.700 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.98278E-03 ppm1 2.499 ppm2 0.898 CV 1 OR { 340} (( segid " " and resid 406 and name HG3 )) ( segid " " and resid 436 and name HD2%) ASSI { 341} (( segid " " and resid 426 and name HB3 )) ( segid " " and resid 429 and name HD2%) 4.100 2.100 1.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.97659E-03 ppm1 1.933 ppm2 0.599 CV 1 OR { 341} (( segid " " and resid 426 and name HB2 )) ( segid " " and resid 429 and name HD2%) ASSI { 343} (( segid " " and resid 402 and name HA )) ( segid " " and resid 436 and name HD1%) 3.400 1.500 1.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.93305E-03 ppm1 3.381 ppm2 0.895 CV 1 OR { 343} (( segid " " and resid 402 and name HA )) ( segid " " and resid 436 and name HD2%) ASSI { 348} (( segid " " and resid 413 and name HB3 )) ( segid " " and resid 429 and name HD2%) 3.800 1.800 1.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.88326E-03 ppm1 3.171 ppm2 0.609 CV 1 OR { 348} (( segid " " and resid 413 and name HB3 )) ( segid " " and resid 429 and name HD1%) ASSI { 357} (( segid " " and resid 427 and name HG2 )) (( segid " " and resid 427 and name HG3 )) 1.600 0.300 0.600 peak 357 spectrum 1 weight 0.10000E+01 volume 0.27207E-01 ppm1 2.352 ppm2 2.212 CV 1 ASSI { 361} (( segid " " and resid 405 and name HG2 )) (( segid " " and resid 405 and name HG3 )) 2.000 0.500 0.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.62017E-02 ppm1 2.632 ppm2 2.101 CV 1 ASSI { 362} (( segid " " and resid 410 and name HB3 )) (( segid " " and resid 410 and name HB2 )) 1.500 0.300 0.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.43566E-01 ppm1 2.742 ppm2 2.661 CV 1 ASSI { 363} (( segid " " and resid 415 and name HB3 )) (( segid " " and resid 415 and name HB2 )) 1.700 0.400 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.17429E-01 ppm1 2.747 ppm2 2.584 CV 1 ASSI { 366} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 433 and name HB3 )) 2.900 1.100 1.100 peak 366 spectrum 1 weight 0.10000E+01 volume 0.35082E-02 ppm1 2.422 ppm2 2.061 CV 1 ASSI { 367} (( segid " " and resid 406 and name HG3 )) (( segid " " and resid 406 and name HG2 )) 2.300 0.700 0.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.27742E-02 ppm1 2.501 ppm2 1.881 CV 1 ASSI { 376} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 399 and name HD3 )) 2.500 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.39187E-02 ppm1 2.767 ppm2 1.601 CV 1 OR { 376} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 399 and name HD2 )) OR { 376} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 399 and name HD3 )) OR { 376} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 399 and name HD2 )) ASSI { 379} (( segid " " and resid 440 and name HE3 )) (( segid " " and resid 441 and name HG2 )) 2.800 1.000 1.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.27058E-02 ppm1 2.869 ppm2 1.518 CV 1 OR { 379} (( segid " " and resid 440 and name HE2 )) (( segid " " and resid 441 and name HG2 )) ASSI { 380} (( segid " " and resid 440 and name HE3 )) (( segid " " and resid 440 and name HG2 )) 2.800 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.19905E-02 ppm1 2.859 ppm2 1.342 CV 1 OR { 380} (( segid " " and resid 440 and name HE2 )) (( segid " " and resid 440 and name HG2 )) OR { 380} (( segid " " and resid 440 and name HE3 )) (( segid " " and resid 440 and name HG3 )) OR { 380} (( segid " " and resid 440 and name HE2 )) (( segid " " and resid 440 and name HG3 )) ASSI { 382} (( segid " " and resid 415 and name HB3 )) (( segid " " and resid 420 and name HG13)) 2.900 2.900 3.100 peak 382 spectrum 1 weight 0.10000E+01 volume 0.16297E-02 ppm1 2.808 ppm2 1.364 CV 1 ASSI { 391} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name HB3 )) 2.900 1.100 1.100 peak 391 spectrum 1 weight 0.10000E+01 volume 0.23139E-02 ppm1 3.172 ppm2 1.967 CV 1 OR { 391} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 404 and name HB3 )) OR { 391} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 404 and name HB2 )) OR { 391} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name HB2 )) ASSI { 392} (( segid " " and resid 410 and name HB3 )) (( segid " " and resid 409 and name HB2 )) 4.500 2.600 1.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.77750E-03 ppm1 2.712 ppm2 1.609 CV 1 OR { 392} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 409 and name HB2 )) ASSI { 393} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 408 and name HG )) 3.900 1.900 1.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.13747E-02 ppm1 3.228 ppm2 1.721 CV 1 OR { 393} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 408 and name HB3 )) OR { 393} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 408 and name HG )) ASSI { 394} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 408 and name HB3 )) 4.000 2.000 2.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.71532E-03 ppm1 3.233 ppm2 1.814 CV 1 OR { 394} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 408 and name HB2 )) OR { 394} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 408 and name HB3 )) OR { 394} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 408 and name HB2 )) ASSI { 397} (( segid " " and resid 413 and name HB2 )) (( segid " " and resid 413 and name HA )) 2.500 0.800 0.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.47398E-02 ppm1 3.112 ppm2 4.171 CV 1 ASSI { 399} (( segid " " and resid 430 and name HB3 )) (( segid " " and resid 427 and name HA )) 2.600 0.800 0.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.40493E-02 ppm1 3.351 ppm2 3.925 CV 1 OR { 399} (( segid " " and resid 430 and name HB2 )) (( segid " " and resid 427 and name HA )) ASSI { 400} (( segid " " and resid 413 and name HB3 )) (( segid " " and resid 410 and name HA )) 3.100 1.200 1.200 peak 400 spectrum 1 weight 0.10000E+01 volume 0.28488E-02 ppm1 3.167 ppm2 4.362 CV 1 ASSI { 406} ( segid " " and resid 432 and name HG2%) ( segid " " and resid 412 and name HD2%) 2.200 0.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.10537E-01 ppm1 1.032 ppm2 0.686 CV 1 OR { 406} ( segid " " and resid 432 and name HG1%) ( segid " " and resid 412 and name HD2%) ASSI { 411} (( segid " " and resid 422 and name HB2 )) (( segid " " and resid 422 and name HA )) 2.600 0.900 0.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.47398E-02 ppm1 2.480 ppm2 4.589 CV 1 ASSI { 415} ( segid " " and resid 408 and name HD1%) ( segid " " and resid 412 and name HD2%) 2.500 0.800 0.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.35890E-02 ppm1 0.917 ppm2 0.720 CV 1 ASSI { 418} (( segid " " and resid 431 and name HG3 )) (( segid " " and resid 431 and name HA )) 2.700 0.900 0.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.32718E-02 ppm1 2.346 ppm2 4.069 CV 1 OR { 418} (( segid " " and resid 431 and name HG2 )) (( segid " " and resid 431 and name HA )) ASSI { 420} (( segid " " and resid 425 and name HG3 )) ( segid " " and resid 416 and name HD2%) 3.300 1.300 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.28986E-02 ppm1 1.213 ppm2 0.713 CV 1 OR { 420} (( segid " " and resid 425 and name HG2 )) ( segid " " and resid 416 and name HD2%) ASSI { 425} (( segid " " and resid 417 and name HG3 )) (( segid " " and resid 417 and name HA )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.25752E-02 ppm1 2.359 ppm2 4.148 CV 1 OR { 425} (( segid " " and resid 417 and name HG2 )) (( segid " " and resid 417 and name HA )) ASSI { 430} (( segid " " and resid 410 and name HB3 )) (( segid " " and resid 407 and name HA )) 2.800 0.900 0.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.23015E-02 ppm1 2.742 ppm2 4.262 CV 1 ASSI { 442} (( segid " " and resid 433 and name HG2 )) (( segid " " and resid 430 and name HA )) 4.000 2.000 2.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.11072E-02 ppm1 2.283 ppm2 4.453 CV 1 ASSI { 443} (( segid " " and resid 406 and name HB3 )) (( segid " " and resid 410 and name HA )) 3.400 3.400 2.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.11009E-02 ppm1 2.188 ppm2 4.342 CV 1 ASSI { 448} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 394 and name HB )) 1.900 0.400 0.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.25670E-01 ppm1 1.213 ppm2 4.340 CV 1 OR { 448} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 394 and name HA )) ASSI { 455} ( segid " " and resid 438 and name HB% ) (( segid " " and resid 438 and name HA )) 2.100 0.500 0.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.14642E-01 ppm1 1.471 ppm2 4.051 CV 1 ASSI { 457} ( segid " " and resid 446 and name HB% ) (( segid " " and resid 446 and name HA )) 2.100 0.600 0.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.13809E-01 ppm1 1.276 ppm2 4.034 CV 1 ASSI { 459} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 408 and name HA )) 2.600 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.12521E-01 ppm1 0.894 ppm2 4.031 CV 1 OR { 459} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 408 and name HA )) ASSI { 470} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 406 and name HA )) 2.700 2.700 3.300 peak 470 spectrum 1 weight 0.10000E+01 volume 0.79431E-02 ppm1 0.898 ppm2 3.923 CV 1 ASSI { 482} (( segid " " and resid 427 and name HB3 )) (( segid " " and resid 427 and name HA )) 2.500 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.50197E-02 ppm1 2.001 ppm2 3.923 CV 1 OR { 482} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 427 and name HA )) ASSI { 492} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 405 and name HA )) 2.500 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.39125E-02 ppm1 0.894 ppm2 4.175 CV 1 OR { 492} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 405 and name HA )) ASSI { 498} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 393 and name HA )) 2.900 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.31847E-02 ppm1 1.940 ppm2 4.343 CV 1 ASSI { 503} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 413 and name HA )) 2.800 1.000 1.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.27618E-02 ppm1 0.613 ppm2 4.170 CV 1 ASSI { 506} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 416 and name HA )) 2.700 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.24196E-02 ppm1 0.736 ppm2 4.246 CV 1 ASSI { 517} ( segid " " and resid 446 and name HB% ) (( segid " " and resid 443 and name HA )) 3.000 1.100 1.100 peak 517 spectrum 1 weight 0.10000E+01 volume 0.18785E-02 ppm1 1.293 ppm2 4.154 CV 1 ASSI { 527} (( segid " " and resid 439 and name HG )) (( segid " " and resid 439 and name HA )) 3.100 1.200 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.14680E-02 ppm1 1.299 ppm2 3.926 CV 1 ASSI { 532} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 432 and name HA )) 2.500 0.800 0.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.44288E-02 ppm1 0.785 ppm2 3.611 CV 1 ASSI { 534} (( segid " " and resid 409 and name HG )) (( segid " " and resid 406 and name HA )) 3.600 1.600 1.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 1.483 ppm2 3.848 CV 1 ASSI { 561} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 402 and name HA )) 2.200 0.600 0.600 peak 561 spectrum 1 weight 0.10000E+01 volume 0.87955E-02 ppm1 0.723 ppm2 3.385 CV 1 OR { 561} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 402 and name HA )) OR { 561} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 402 and name HA )) ASSI { 562} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 402 and name HA )) 2.800 2.800 3.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.36139E-02 ppm1 0.961 ppm2 3.386 CV 1 OR { 562} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 402 and name HA )) ASSI { 573} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 434 and name HD2 )) 2.700 0.900 0.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.16110E-02 ppm1 1.453 ppm2 3.030 CV 1 OR { 573} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 434 and name HD3 )) ASSI { 575} (( segid " " and resid 434 and name HB3 )) (( segid " " and resid 434 and name HD3 )) 3.200 1.300 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.10326E-02 ppm1 1.818 ppm2 3.033 CV 1 OR { 575} (( segid " " and resid 434 and name HB2 )) (( segid " " and resid 434 and name HD3 )) OR { 575} (( segid " " and resid 434 and name HB3 )) (( segid " " and resid 434 and name HD2 )) OR { 575} (( segid " " and resid 434 and name HB2 )) (( segid " " and resid 434 and name HD2 )) ASSI { 579} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 406 and name HG3 )) 2.100 0.500 0.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.92556E-02 ppm1 2.099 ppm2 2.493 CV 1 ASSI { 580} (( segid " " and resid 434 and name HG3 )) (( segid " " and resid 434 and name HD2 )) 3.200 1.300 1.300 peak 580 spectrum 1 weight 0.10000E+01 volume 0.85218E-03 ppm1 1.626 ppm2 3.031 CV 1 OR { 580} (( segid " " and resid 434 and name HG3 )) (( segid " " and resid 434 and name HD3 )) ASSI { 582} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 406 and name HG3 )) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.72340E-02 ppm1 2.135 ppm2 2.493 CV 1 OR { 582} (( segid " " and resid 406 and name HB3 )) (( segid " " and resid 406 and name HG3 )) ASSI { 586} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 405 and name HG2 )) 2.900 1.000 1.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.20091E-02 ppm1 1.975 ppm2 2.626 CV 1 OR { 586} (( segid " " and resid 405 and name HB3 )) (( segid " " and resid 405 and name HG2 )) ASSI { 596} (( segid " " and resid 421 and name HG2 )) (( segid " " and resid 421 and name HE3 )) 3.400 1.400 1.400 peak 596 spectrum 1 weight 0.10000E+01 volume 0.10574E-02 ppm1 1.329 ppm2 2.879 CV 1 OR { 596} (( segid " " and resid 421 and name HG2 )) (( segid " " and resid 421 and name HE2 )) OR { 596} (( segid " " and resid 421 and name HG3 )) (( segid " " and resid 421 and name HE3 )) OR { 596} (( segid " " and resid 421 and name HG3 )) (( segid " " and resid 421 and name HE2 )) ASSI { 609} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 408 and name HB3 )) 2.200 0.600 0.600 peak 609 spectrum 1 weight 0.10000E+01 volume 0.11128E-01 ppm1 0.897 ppm2 1.808 CV 1 OR { 609} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 408 and name HB2 )) OR { 609} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 408 and name HB2 )) OR { 609} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 408 and name HB3 )) ASSI { 622} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 409 and name HB2 )) 2.300 0.600 0.600 peak 622 spectrum 1 weight 0.10000E+01 volume 0.62512E-02 ppm1 0.901 ppm2 1.562 CV 1 ASSI { 635} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 439 and name HB2 )) 2.600 0.900 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.35206E-02 ppm1 0.961 ppm2 1.967 CV 1 OR { 635} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 439 and name HB2 )) OR { 635} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 439 and name HB3 )) OR { 635} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 439 and name HB3 )) ASSI { 636} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 401 and name HB2 )) 2.900 1.100 1.100 peak 636 spectrum 1 weight 0.10000E+01 volume 0.34895E-02 ppm1 0.960 ppm2 2.155 CV 1 OR { 636} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 401 and name HB3 )) OR { 636} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 401 and name HB2 )) ASSI { 644} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 406 and name HG3 )) 3.300 3.300 2.700 peak 644 spectrum 1 weight 0.10000E+01 volume 0.28488E-02 ppm1 0.958 ppm2 2.494 CV 1 OR { 644} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 406 and name HG3 )) ASSI { 656} (( segid " " and resid 439 and name HG )) (( segid " " and resid 443 and name HB2 )) 2.300 0.600 0.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.75638E-02 ppm1 1.298 ppm2 1.682 CV 1 OR { 656} (( segid " " and resid 439 and name HG )) (( segid " " and resid 443 and name HG )) OR { 656} (( segid " " and resid 439 and name HG )) (( segid " " and resid 443 and name HB3 )) ASSI { 658} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 399 and name HE2 )) 3.300 3.300 2.700 peak 658 spectrum 1 weight 0.10000E+01 volume 0.16483E-02 ppm1 0.959 ppm2 2.745 CV 1 OR { 658} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 399 and name HE2 )) OR { 658} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 399 and name HE3 )) OR { 658} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 399 and name HE3 )) ASSI { 661} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 433 and name HB3 )) 3.500 1.500 1.500 peak 661 spectrum 1 weight 0.10000E+01 volume 0.14555E-02 ppm1 0.609 ppm2 2.055 CV 1 OR { 661} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 433 and name HB3 )) ASSI { 664} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 409 and name HG )) 3.700 1.700 1.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.11383E-02 ppm1 0.913 ppm2 1.437 CV 1 ASSI { 665} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 410 and name HB3 )) 3.900 1.900 1.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.11321E-02 ppm1 0.899 ppm2 2.745 CV 1 OR { 665} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 410 and name HB2 )) ASSI { 667} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 433 and name HG3 )) 3.700 1.700 1.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.84593E-03 ppm1 0.609 ppm2 2.432 CV 1 OR { 667} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 433 and name HG3 )) ASSI { 670} (( segid " " and resid 414 and name HG3 )) (( segid " " and resid 414 and name HB2 )) 2.300 0.700 0.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.65562E-02 ppm1 1.540 ppm2 1.884 CV 1 OR { 670} (( segid " " and resid 414 and name HG3 )) (( segid " " and resid 414 and name HB3 )) ASSI { 679} (( segid " " and resid 404 and name HG3 )) (( segid " " and resid 404 and name HB2 )) 2.600 0.800 0.800 peak 679 spectrum 1 weight 0.10000E+01 volume 0.27742E-02 ppm1 1.507 ppm2 1.965 CV 1 OR { 679} (( segid " " and resid 404 and name HG3 )) (( segid " " and resid 404 and name HB3 )) ASSI { 694} (( segid " " and resid 420 and name HG12)) (( segid " " and resid 420 and name HG13)) 1.700 0.400 0.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.13218E-01 ppm1 1.148 ppm2 1.389 CV 1 ASSI { 697} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 393 and name HB3 )) 1.400 0.200 0.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.64527E-01 ppm1 1.945 ppm2 2.040 CV 1 ASSI { 713} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 429 and name HG )) 2.000 0.500 0.500 peak 713 spectrum 1 weight 0.10000E+01 volume 0.10947E-01 ppm1 0.586 ppm2 1.385 CV 1 OR { 713} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 429 and name HG )) ASSI { 717} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 398 and name HG12)) 2.100 0.500 0.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.94544E-02 ppm1 0.694 ppm2 1.029 CV 1 OR { 717} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 398 and name HG13)) ASSI { 728} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 412 and name HG )) 2.400 0.700 0.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.41613E-02 ppm1 0.698 ppm2 1.158 CV 1 ASSI { 730} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 412 and name HG )) 2.600 2.600 3.400 peak 730 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 0.599 ppm2 1.160 CV 1 OR { 730} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 412 and name HG )) ASSI { 732} (( segid " " and resid 418 and name HA2 )) (( segid " " and resid 418 and name H )) 2.600 0.800 0.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.42235E-02 ppm1 3.913 ppm2 8.192 CV 1 OR { 732} (( segid " " and resid 418 and name HA3 )) (( segid " " and resid 418 and name H )) ASSI { 733} (( segid " " and resid 432 and name HA )) ( segid " " and resid 435 and name HD1%) 2.600 0.800 0.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.39809E-02 ppm1 3.606 ppm2 0.781 CV 1 OR { 733} (( segid " " and resid 432 and name HA )) ( segid " " and resid 435 and name HG2%) ASSI { 737} (( segid " " and resid 430 and name H )) (( segid " " and resid 429 and name HG )) 2.200 0.600 0.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.26000E-02 ppm1 7.813 ppm2 1.443 CV 1 ASSI { 738} (( segid " " and resid 397 and name H )) (( segid " " and resid 397 and name HA2 )) 2.400 0.700 0.700 peak 738 spectrum 1 weight 0.10000E+01 volume 0.11793E-01 ppm1 8.237 ppm2 3.830 CV 1 ASSI { 739} (( segid " " and resid 446 and name H )) ( segid " " and resid 446 and name HB% ) 2.400 0.700 0.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.76634E-02 ppm1 7.641 ppm2 1.284 CV 1 ASSI { 740} (( segid " " and resid 403 and name H )) (( segid " " and resid 404 and name H )) 2.300 0.600 0.600 peak 740 spectrum 1 weight 0.10000E+01 volume 0.64129E-02 ppm1 7.694 ppm2 7.908 CV 1 ASSI { 741} (( segid " " and resid 445 and name H )) (( segid " " and resid 445 and name HA )) 2.100 2.100 3.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.10879E-01 ppm1 7.878 ppm2 4.225 CV 1 ASSI { 742} (( segid " " and resid 445 and name HA )) (( segid " " and resid 445 and name HB3 )) 2.200 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.80675E-02 ppm1 4.233 ppm2 1.877 CV 1 ASSI { 743} (( segid " " and resid 445 and name H )) (( segid " " and resid 445 and name HB3 )) 2.500 2.500 3.500 peak 743 spectrum 1 weight 0.10000E+01 volume 0.78499E-02 ppm1 7.878 ppm2 1.873 CV 1 ASSI { 744} (( segid " " and resid 445 and name HA )) (( segid " " and resid 445 and name HB2 )) 2.700 0.900 0.900 peak 744 spectrum 1 weight 0.10000E+01 volume 0.49264E-02 ppm1 4.241 ppm2 2.060 CV 1 ASSI { 745} (( segid " " and resid 445 and name HA )) (( segid " " and resid 445 and name HG2 )) 2.900 1.000 1.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.30292E-02 ppm1 4.234 ppm2 2.189 CV 1 ASSI { 746} (( segid " " and resid 445 and name H )) (( segid " " and resid 445 and name HG3 )) 2.900 1.100 1.100 peak 746 spectrum 1 weight 0.10000E+01 volume 0.44909E-02 ppm1 7.868 ppm2 2.280 CV 1 ASSI { 747} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HA )) 2.200 0.600 0.600 peak 747 spectrum 1 weight 0.10000E+01 volume 0.95606E-02 ppm1 7.573 ppm2 4.026 CV 1 ASSI { 748} (( segid " " and resid 441 and name H )) (( segid " " and resid 440 and name HA )) 2.600 0.800 0.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.34584E-02 ppm1 7.575 ppm2 3.776 CV 1 ASSI { 749} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HD2 )) 3.800 1.800 1.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.12627E-02 ppm1 7.574 ppm2 3.125 CV 1 OR { 749} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HD3 )) ASSI { 750} (( segid " " and resid 441 and name HA )) (( segid " " and resid 441 and name HB2 )) 1.700 1.700 4.300 peak 750 spectrum 1 weight 0.10000E+01 volume 0.34652E-01 ppm1 4.034 ppm2 1.882 CV 1 OR { 750} (( segid " " and resid 441 and name HA )) (( segid " " and resid 441 and name HB3 )) ASSI { 751} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HG2 )) 2.400 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.31785E-02 ppm1 7.573 ppm2 1.595 CV 1 ASSI { 752} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HA )) 2.200 0.600 0.600 peak 752 spectrum 1 weight 0.10000E+01 volume 0.79183E-02 ppm1 8.246 ppm2 3.780 CV 1 ASSI { 753} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HB2 )) 1.900 0.500 0.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.15128E-01 ppm1 3.771 ppm2 1.834 CV 1 OR { 753} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HB3 )) ASSI { 754} (( segid " " and resid 440 and name H )) (( segid " " and resid 439 and name HG )) 3.000 1.100 1.100 peak 754 spectrum 1 weight 0.10000E+01 volume 0.20651E-02 ppm1 8.242 ppm2 1.250 CV 1 ASSI { 755} (( segid " " and resid 440 and name H )) ( segid " " and resid 439 and name HD2%) 3.400 1.400 1.400 peak 755 spectrum 1 weight 0.10000E+01 volume 0.26498E-02 ppm1 8.240 ppm2 0.773 CV 1 ASSI { 756} (( segid " " and resid 446 and name H )) (( segid " " and resid 446 and name HA )) 2.300 0.700 0.700 peak 756 spectrum 1 weight 0.10000E+01 volume 0.91624E-02 ppm1 7.621 ppm2 4.035 CV 1 ASSI { 757} (( segid " " and resid 441 and name HA )) (( segid " " and resid 441 and name HD2 )) 2.600 0.800 0.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.31412E-02 ppm1 4.008 ppm2 3.139 CV 1 OR { 757} (( segid " " and resid 441 and name HA )) (( segid " " and resid 441 and name HD3 )) ASSI { 758} (( segid " " and resid 441 and name H )) (( segid " " and resid 440 and name H )) 2.200 0.600 0.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.67367E-02 ppm1 7.573 ppm2 8.241 CV 1 ASSI { 761} (( segid " " and resid 440 and name H )) (( segid " " and resid 439 and name H )) 2.400 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.46962E-02 ppm1 8.244 ppm2 8.522 CV 1 ASSI { 762} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HG2 )) 2.600 0.900 0.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.62701E-02 ppm1 3.781 ppm2 1.364 CV 1 OR { 762} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HG3 )) ASSI { 763} (( segid " " and resid 440 and name HA )) (( segid " " and resid 439 and name HG )) 2.900 1.100 1.100 peak 763 spectrum 1 weight 0.10000E+01 volume 0.15675E-02 ppm1 3.780 ppm2 1.282 CV 1 ASSI { 766} (( segid " " and resid 439 and name H )) (( segid " " and resid 439 and name HA )) 2.300 0.600 0.600 peak 766 spectrum 1 weight 0.10000E+01 volume 0.79183E-02 ppm1 8.524 ppm2 3.922 CV 1 ASSI { 767} (( segid " " and resid 439 and name HA )) (( segid " " and resid 439 and name HB3 )) 2.100 0.500 0.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.11346E-01 ppm1 3.919 ppm2 1.892 CV 1 OR { 767} (( segid " " and resid 439 and name HA )) (( segid " " and resid 439 and name HB2 )) ASSI { 768} (( segid " " and resid 439 and name H )) (( segid " " and resid 439 and name HB3 )) 2.100 0.500 0.500 peak 768 spectrum 1 weight 0.10000E+01 volume 0.10885E-01 ppm1 8.524 ppm2 1.896 CV 1 OR { 768} (( segid " " and resid 439 and name H )) (( segid " " and resid 439 and name HB2 )) ASSI { 769} (( segid " " and resid 439 and name H )) ( segid " " and resid 438 and name HB% ) 2.400 0.700 0.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.65249E-02 ppm1 8.524 ppm2 1.460 CV 1 ASSI { 770} (( segid " " and resid 439 and name H )) (( segid " " and resid 439 and name HG )) 3.400 1.400 1.400 peak 770 spectrum 1 weight 0.10000E+01 volume 0.28239E-02 ppm1 8.524 ppm2 1.264 CV 1 ASSI { 771} (( segid " " and resid 438 and name H )) ( segid " " and resid 437 and name HG2%) 3.000 1.100 1.100 peak 771 spectrum 1 weight 0.10000E+01 volume 0.33776E-02 ppm1 7.615 ppm2 1.174 CV 1 ASSI { 772} (( segid " " and resid 438 and name H )) ( segid " " and resid 438 and name HB% ) 1.900 0.500 0.500 peak 772 spectrum 1 weight 0.10000E+01 volume 0.21404E-01 ppm1 7.614 ppm2 1.460 CV 1 ASSI { 773} (( segid " " and resid 438 and name H )) (( segid " " and resid 435 and name HA )) 2.700 0.900 0.900 peak 773 spectrum 1 weight 0.10000E+01 volume 0.26622E-02 ppm1 7.614 ppm2 3.686 CV 1 ASSI { 774} (( segid " " and resid 430 and name HE3 )) (( segid " " and resid 430 and name HA )) 2.300 2.300 3.700 peak 774 spectrum 1 weight 0.10000E+01 volume 0.31909E-02 ppm1 7.570 ppm2 4.450 CV 1 ASSI { 775} (( segid " " and resid 438 and name H )) (( segid " " and resid 437 and name HB )) 2.200 0.600 0.600 peak 775 spectrum 1 weight 0.10000E+01 volume 0.75573E-02 ppm1 7.614 ppm2 4.181 CV 1 ASSI { 776} (( segid " " and resid 438 and name H )) (( segid " " and resid 437 and name H )) 2.300 0.600 0.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.73833E-02 ppm1 7.614 ppm2 8.272 CV 1 ASSI { 777} (( segid " " and resid 438 and name H )) (( segid " " and resid 439 and name H )) 2.200 0.600 0.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.75762E-02 ppm1 7.614 ppm2 8.520 CV 1 ASSI { 778} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name H )) 2.300 0.700 0.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.60772E-02 ppm1 8.276 ppm2 8.650 CV 1 ASSI { 780} (( segid " " and resid 437 and name H )) (( segid " " and resid 437 and name HB )) 2.100 0.500 0.500 peak 780 spectrum 1 weight 0.10000E+01 volume 0.11800E-01 ppm1 8.276 ppm2 4.182 CV 1 ASSI { 781} (( segid " " and resid 443 and name H )) (( segid " " and resid 443 and name HA )) 2.300 0.600 0.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.85837E-02 ppm1 7.641 ppm2 4.153 CV 1 ASSI { 782} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 395 and name HG2 )) 2.900 1.100 1.100 peak 782 spectrum 1 weight 0.10000E+01 volume 0.65249E-02 ppm1 7.635 ppm2 2.305 CV 1 ASSI { 784} (( segid " " and resid 436 and name H )) (( segid " " and resid 435 and name H )) 2.400 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.48206E-02 ppm1 8.653 ppm2 8.126 CV 1 ASSI { 785} (( segid " " and resid 436 and name H )) (( segid " " and resid 436 and name HA )) 2.300 0.700 0.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.60212E-02 ppm1 8.654 ppm2 3.917 CV 1 ASSI { 786} (( segid " " and resid 436 and name H )) (( segid " " and resid 435 and name HA )) 3.100 1.200 1.200 peak 786 spectrum 1 weight 0.10000E+01 volume 0.16110E-02 ppm1 8.654 ppm2 3.684 CV 1 ASSI { 787} (( segid " " and resid 436 and name H )) (( segid " " and resid 432 and name HA )) 3.200 1.300 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.14617E-02 ppm1 8.652 ppm2 3.614 CV 1 ASSI { 788} (( segid " " and resid 436 and name H )) (( segid " " and resid 435 and name HB )) 2.200 0.600 0.600 peak 788 spectrum 1 weight 0.10000E+01 volume 0.50010E-02 ppm1 8.654 ppm2 1.954 CV 1 ASSI { 789} (( segid " " and resid 421 and name H )) ( segid " " and resid 420 and name HG2%) 2.800 0.900 0.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.32283E-02 ppm1 8.391 ppm2 0.821 CV 1 ASSI { 790} (( segid " " and resid 435 and name H )) (( segid " " and resid 435 and name HG12)) 3.100 1.200 1.200 peak 790 spectrum 1 weight 0.10000E+01 volume 0.56790E-02 ppm1 8.130 ppm2 1.686 CV 1 ASSI { 791} (( segid " " and resid 435 and name H )) (( segid " " and resid 435 and name HB )) 2.100 0.500 0.500 peak 791 spectrum 1 weight 0.10000E+01 volume 0.94173E-02 ppm1 8.131 ppm2 1.954 CV 1 ASSI { 792} (( segid " " and resid 435 and name H )) ( segid " " and resid 435 and name HG2%) 3.400 1.500 1.500 peak 792 spectrum 1 weight 0.10000E+01 volume 0.28302E-02 ppm1 8.128 ppm2 0.842 CV 1 ASSI { 793} (( segid " " and resid 435 and name H )) (( segid " " and resid 435 and name HG13)) 2.400 0.700 0.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.27928E-02 ppm1 8.130 ppm2 1.053 CV 1 ASSI { 794} (( segid " " and resid 435 and name H )) (( segid " " and resid 435 and name HA )) 2.400 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.61084E-02 ppm1 8.131 ppm2 3.686 CV 1 ASSI { 795} (( segid " " and resid 435 and name H )) (( segid " " and resid 434 and name HA )) 2.900 1.000 1.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.20589E-02 ppm1 8.130 ppm2 3.924 CV 1 ASSI { 796} (( segid " " and resid 435 and name H )) (( segid " " and resid 434 and name H )) 2.300 0.700 0.700 peak 796 spectrum 1 weight 0.10000E+01 volume 0.48019E-02 ppm1 8.132 ppm2 7.929 CV 1 ASSI { 798} (( segid " " and resid 435 and name HA )) (( segid " " and resid 435 and name HB )) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.56294E-02 ppm1 3.682 ppm2 1.953 CV 1 ASSI { 799} (( segid " " and resid 411 and name H )) (( segid " " and resid 411 and name HA )) 2.200 0.600 0.600 peak 799 spectrum 1 weight 0.10000E+01 volume 0.10437E-01 ppm1 7.872 ppm2 4.006 CV 1 ASSI { 800} (( segid " " and resid 434 and name H )) (( segid " " and resid 434 and name HG2 )) 2.500 0.800 0.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.18660E-02 ppm1 7.937 ppm2 1.414 CV 1 ASSI { 801} (( segid " " and resid 434 and name H )) (( segid " " and resid 434 and name HG3 )) 3.000 1.100 1.100 peak 801 spectrum 1 weight 0.10000E+01 volume 0.45532E-02 ppm1 7.935 ppm2 1.614 CV 1 ASSI { 802} (( segid " " and resid 434 and name H )) (( segid " " and resid 434 and name HB3 )) 2.100 0.500 0.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.12913E-01 ppm1 7.937 ppm2 1.823 CV 1 OR { 802} (( segid " " and resid 434 and name H )) (( segid " " and resid 434 and name HB2 )) ASSI { 803} (( segid " " and resid 431 and name H )) (( segid " " and resid 431 and name HB2 )) 2.100 0.500 0.500 peak 803 spectrum 1 weight 0.10000E+01 volume 0.11849E-01 ppm1 7.938 ppm2 2.187 CV 1 OR { 803} (( segid " " and resid 431 and name H )) (( segid " " and resid 431 and name HB3 )) ASSI { 804} (( segid " " and resid 400 and name H )) (( segid " " and resid 400 and name HB3 )) 2.200 0.600 0.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.95352E-02 ppm1 7.942 ppm2 2.118 CV 1 ASSI { 805} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name H )) 2.100 0.500 0.500 peak 805 spectrum 1 weight 0.10000E+01 volume 0.10151E-01 ppm1 7.935 ppm2 8.350 CV 1 ASSI { 807} (( segid " " and resid 433 and name H )) ( segid " " and resid 409 and name HD1%) 2.700 0.900 0.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.33713E-02 ppm1 8.334 ppm2 0.798 CV 1 ASSI { 808} (( segid " " and resid 433 and name H )) ( segid " " and resid 432 and name HG2%) 2.600 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.44599E-02 ppm1 8.340 ppm2 1.024 CV 1 OR { 808} (( segid " " and resid 433 and name H )) ( segid " " and resid 432 and name HG1%) ASSI { 809} (( segid " " and resid 433 and name H )) (( segid " " and resid 433 and name HB3 )) 2.100 0.600 0.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.10705E-01 ppm1 8.339 ppm2 2.063 CV 1 ASSI { 810} (( segid " " and resid 433 and name H )) (( segid " " and resid 433 and name HB2 )) 2.200 0.600 0.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.67178E-02 ppm1 8.339 ppm2 2.193 CV 1 ASSI { 811} (( segid " " and resid 433 and name H )) (( segid " " and resid 433 and name HG2 )) 3.500 1.500 1.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.27182E-02 ppm1 8.338 ppm2 2.267 CV 1 ASSI { 812} (( segid " " and resid 433 and name H )) (( segid " " and resid 433 and name HG3 )) 3.300 1.400 1.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.37632E-02 ppm1 8.338 ppm2 2.429 CV 1 ASSI { 813} (( segid " " and resid 433 and name H )) (( segid " " and resid 432 and name HA )) 2.800 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.24072E-02 ppm1 8.340 ppm2 3.613 CV 1 ASSI { 814} (( segid " " and resid 433 and name H )) (( segid " " and resid 433 and name HA )) 2.300 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.72529E-02 ppm1 8.338 ppm2 3.961 CV 1 ASSI { 815} (( segid " " and resid 433 and name H )) (( segid " " and resid 430 and name HA )) 2.800 1.000 1.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.23823E-02 ppm1 8.338 ppm2 4.454 CV 1 ASSI { 817} (( segid " " and resid 432 and name H )) (( segid " " and resid 431 and name H )) 2.400 0.700 0.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.43354E-02 ppm1 8.370 ppm2 7.932 CV 1 ASSI { 818} (( segid " " and resid 432 and name H )) ( segid " " and resid 432 and name HG2%) 2.200 0.600 0.600 peak 818 spectrum 1 weight 0.10000E+01 volume 0.82728E-02 ppm1 8.371 ppm2 1.029 CV 1 OR { 818} (( segid " " and resid 432 and name H )) ( segid " " and resid 432 and name HG1%) ASSI { 819} (( segid " " and resid 430 and name H )) (( segid " " and resid 429 and name HB2 )) 2.700 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.61332E-02 ppm1 7.813 ppm2 1.714 CV 1 OR { 819} (( segid " " and resid 430 and name H )) (( segid " " and resid 429 and name HB3 )) ASSI { 820} (( segid " " and resid 430 and name H )) ( segid " " and resid 429 and name HD1%) 3.200 1.300 1.300 peak 820 spectrum 1 weight 0.10000E+01 volume 0.17914E-02 ppm1 7.814 ppm2 0.597 CV 1 OR { 820} (( segid " " and resid 430 and name H )) ( segid " " and resid 429 and name HD2%) ASSI { 821} (( segid " " and resid 435 and name H )) ( segid " " and resid 435 and name HD1%) 3.300 1.400 1.400 peak 821 spectrum 1 weight 0.10000E+01 volume 0.31287E-02 ppm1 8.127 ppm2 0.781 CV 1 ASSI { 822} (( segid " " and resid 437 and name H )) ( segid " " and resid 437 and name HG2%) 3.200 1.200 1.200 peak 822 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 8.277 ppm2 1.175 CV 1 ASSI { 823} (( segid " " and resid 430 and name H )) (( segid " " and resid 430 and name HB2 )) 2.000 0.500 0.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.10985E-01 ppm1 7.813 ppm2 3.342 CV 1 OR { 823} (( segid " " and resid 430 and name H )) (( segid " " and resid 430 and name HB3 )) ASSI { 824} (( segid " " and resid 430 and name H )) (( segid " " and resid 429 and name HA )) 2.800 1.000 1.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.24943E-02 ppm1 7.810 ppm2 3.771 CV 1 ASSI { 825} (( segid " " and resid 430 and name H )) (( segid " " and resid 427 and name HA )) 2.700 0.900 0.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.31412E-02 ppm1 7.814 ppm2 3.922 CV 1 ASSI { 826} (( segid " " and resid 430 and name H )) (( segid " " and resid 430 and name HA )) 2.200 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.65562E-02 ppm1 7.814 ppm2 4.451 CV 1 ASSI { 827} (( segid " " and resid 436 and name H )) ( segid " " and resid 435 and name HG2%) 2.800 0.900 0.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.34584E-02 ppm1 8.651 ppm2 0.840 CV 1 ASSI { 828} (( segid " " and resid 430 and name H )) (( segid " " and resid 431 and name H )) 2.100 0.600 0.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.73461E-02 ppm1 7.814 ppm2 7.935 CV 1 ASSI { 830} (( segid " " and resid 441 and name H )) (( segid " " and resid 442 and name H )) 2.200 0.600 0.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.78558E-02 ppm1 7.573 ppm2 7.692 CV 1 ASSI { 831} (( segid " " and resid 415 and name H )) (( segid " " and resid 414 and name H )) 2.400 0.700 0.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.47958E-02 ppm1 7.924 ppm2 7.823 CV 1 ASSI { 832} (( segid " " and resid 400 and name H )) (( segid " " and resid 401 and name H )) 2.400 0.700 0.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.46900E-02 ppm1 7.944 ppm2 7.848 CV 1 ASSI { 833} (( segid " " and resid 396 and name H )) (( segid " " and resid 395 and name H )) 2.700 0.900 0.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.25316E-02 ppm1 8.248 ppm2 8.569 CV 1 ASSI { 834} (( segid " " and resid 435 and name H )) (( segid " " and resid 432 and name HA )) 2.800 1.000 1.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.27431E-02 ppm1 8.130 ppm2 3.612 CV 1 ASSI { 835} (( segid " " and resid 393 and name HA )) (( segid " " and resid 393 and name HB3 )) 2.300 0.700 0.700 peak 835 spectrum 1 weight 0.10000E+01 volume 0.60212E-02 ppm1 4.345 ppm2 2.047 CV 1 ASSI { 838} (( segid " " and resid 410 and name H )) (( segid " " and resid 410 and name HB3 )) 2.000 0.500 0.500 peak 838 spectrum 1 weight 0.10000E+01 volume 0.10151E-01 ppm1 8.123 ppm2 2.744 CV 1 ASSI { 840} (( segid " " and resid 395 and name H )) (( segid " " and resid 394 and name HA )) 2.200 0.600 0.600 peak 840 spectrum 1 weight 0.10000E+01 volume 0.71532E-02 ppm1 8.571 ppm2 4.341 CV 1 ASSI { 841} (( segid " " and resid 395 and name H )) (( segid " " and resid 395 and name HA )) 2.800 1.000 1.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.23761E-02 ppm1 8.571 ppm2 3.976 CV 1 ASSI { 842} (( segid " " and resid 396 and name H )) (( segid " " and resid 395 and name HB3 )) 2.300 0.700 0.700 peak 842 spectrum 1 weight 0.10000E+01 volume 0.77319E-02 ppm1 8.250 ppm2 2.041 CV 1 OR { 842} (( segid " " and resid 396 and name H )) (( segid " " and resid 395 and name HB2 )) ASSI { 843} (( segid " " and resid 407 and name H )) (( segid " " and resid 406 and name H )) 2.300 0.600 0.600 peak 843 spectrum 1 weight 0.10000E+01 volume 0.61020E-02 ppm1 7.949 ppm2 9.021 CV 1 ASSI { 844} (( segid " " and resid 396 and name HA )) ( segid " " and resid 396 and name HB% ) 2.300 0.600 0.600 peak 844 spectrum 1 weight 0.10000E+01 volume 0.70476E-02 ppm1 4.004 ppm2 1.378 CV 1 ASSI { 845} (( segid " " and resid 410 and name H )) (( segid " " and resid 410 and name HB2 )) 2.700 0.900 0.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.58843E-02 ppm1 8.123 ppm2 2.663 CV 1 ASSI { 846} (( segid " " and resid 397 and name H )) (( segid " " and resid 398 and name H )) 2.200 0.600 0.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.93488E-02 ppm1 8.237 ppm2 8.021 CV 1 ASSI { 847} (( segid " " and resid 396 and name H )) (( segid " " and resid 394 and name HA )) 2.600 0.900 0.900 peak 847 spectrum 1 weight 0.10000E+01 volume 0.54926E-02 ppm1 8.249 ppm2 4.341 CV 1 OR { 847} (( segid " " and resid 396 and name H )) (( segid " " and resid 394 and name HB )) ASSI { 848} (( segid " " and resid 398 and name H )) (( segid " " and resid 399 and name H )) 2.000 0.500 0.500 peak 848 spectrum 1 weight 0.10000E+01 volume 0.10531E-01 ppm1 8.024 ppm2 8.233 CV 1 ASSI { 849} (( segid " " and resid 398 and name H )) (( segid " " and resid 397 and name HA3 )) 2.300 0.600 0.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.48642E-02 ppm1 8.024 ppm2 3.961 CV 1 ASSI { 850} (( segid " " and resid 398 and name H )) (( segid " " and resid 398 and name HA )) 2.200 0.600 0.600 peak 850 spectrum 1 weight 0.10000E+01 volume 0.69043E-02 ppm1 8.024 ppm2 3.798 CV 1 ASSI { 851} (( segid " " and resid 398 and name HA )) (( segid " " and resid 398 and name HB )) 1.900 0.500 0.500 peak 851 spectrum 1 weight 0.10000E+01 volume 0.12471E-01 ppm1 3.793 ppm2 1.811 CV 1 ASSI { 853} (( segid " " and resid 398 and name H )) (( segid " " and resid 398 and name HG12)) 3.300 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.34708E-02 ppm1 8.024 ppm2 0.989 CV 1 OR { 853} (( segid " " and resid 398 and name H )) (( segid " " and resid 398 and name HG13)) ASSI { 854} (( segid " " and resid 398 and name H )) ( segid " " and resid 398 and name HG2%) 2.300 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.44536E-02 ppm1 8.024 ppm2 0.848 CV 1 ASSI { 855} (( segid " " and resid 398 and name H )) ( segid " " and resid 398 and name HD1%) 3.500 1.500 1.500 peak 855 spectrum 1 weight 0.10000E+01 volume 0.28799E-02 ppm1 8.023 ppm2 0.716 CV 1 ASSI { 856} (( segid " " and resid 399 and name H )) (( segid " " and resid 400 and name H )) 2.300 0.700 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.57103E-02 ppm1 8.234 ppm2 7.938 CV 1 ASSI { 857} (( segid " " and resid 411 and name H )) (( segid " " and resid 411 and name HB2 )) 2.100 0.500 0.500 peak 857 spectrum 1 weight 0.10000E+01 volume 0.13597E-01 ppm1 7.870 ppm2 3.801 CV 1 OR { 857} (( segid " " and resid 411 and name H )) (( segid " " and resid 411 and name HB3 )) ASSI { 858} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HB3 )) 2.000 2.000 4.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.15121E-01 ppm1 3.847 ppm2 1.862 CV 1 ASSI { 860} (( segid " " and resid 431 and name H )) (( segid " " and resid 431 and name HA )) 2.000 2.000 4.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.17018E-01 ppm1 7.938 ppm2 4.079 CV 1 ASSI { 861} (( segid " " and resid 410 and name H )) (( segid " " and resid 409 and name HB3 )) 1.900 0.500 0.500 peak 861 spectrum 1 weight 0.10000E+01 volume 0.94544E-02 ppm1 8.124 ppm2 1.847 CV 1 ASSI { 862} (( segid " " and resid 435 and name H )) (( segid " " and resid 434 and name HB2 )) 2.800 1.000 1.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.49761E-02 ppm1 8.125 ppm2 1.820 CV 1 OR { 862} (( segid " " and resid 435 and name H )) (( segid " " and resid 434 and name HB3 )) ASSI { 863} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HB3 )) 2.400 0.700 0.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10002E-01 ppm1 4.108 ppm2 2.107 CV 1 ASSI { 864} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HG2 )) 2.500 0.800 0.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.64565E-02 ppm1 4.105 ppm2 2.285 CV 1 OR { 864} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HG3 )) ASSI { 865} (( segid " " and resid 401 and name H )) (( segid " " and resid 402 and name H )) 2.400 0.700 0.700 peak 865 spectrum 1 weight 0.10000E+01 volume 0.50197E-02 ppm1 7.862 ppm2 8.631 CV 1 ASSI { 866} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HA )) 2.300 0.700 0.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.71408E-02 ppm1 7.861 ppm2 4.121 CV 1 ASSI { 867} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HG3 )) 2.600 0.800 0.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.44909E-02 ppm1 7.868 ppm2 2.280 CV 1 OR { 867} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HG2 )) ASSI { 868} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HB2 )) 2.200 0.600 0.600 peak 868 spectrum 1 weight 0.10000E+01 volume 0.78251E-02 ppm1 7.864 ppm2 2.095 CV 1 OR { 868} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HB3 )) ASSI { 869} (( segid " " and resid 401 and name HA )) (( segid " " and resid 401 and name HB3 )) 2.000 0.500 0.500 peak 869 spectrum 1 weight 0.10000E+01 volume 0.16502E-01 ppm1 4.139 ppm2 2.066 CV 1 OR { 869} (( segid " " and resid 401 and name HA )) (( segid " " and resid 401 and name HB2 )) ASSI { 870} (( segid " " and resid 410 and name H )) (( segid " " and resid 409 and name HB2 )) 3.200 1.200 1.200 peak 870 spectrum 1 weight 0.10000E+01 volume 0.41924E-02 ppm1 8.124 ppm2 1.595 CV 1 ASSI { 871} (( segid " " and resid 402 and name HA )) (( segid " " and resid 402 and name HB )) 2.300 0.700 0.700 peak 871 spectrum 1 weight 0.10000E+01 volume 0.50259E-02 ppm1 3.378 ppm2 1.863 CV 1 ASSI { 872} (( segid " " and resid 403 and name H )) (( segid " " and resid 402 and name H )) 2.300 0.700 0.700 peak 872 spectrum 1 weight 0.10000E+01 volume 0.51254E-02 ppm1 7.693 ppm2 8.631 CV 1 ASSI { 873} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HD2 )) 2.300 0.700 0.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.64129E-02 ppm1 7.691 ppm2 1.603 CV 1 OR { 873} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HD3 )) ASSI { 874} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HG3 )) 2.400 0.700 0.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.43230E-02 ppm1 7.690 ppm2 1.715 CV 1 OR { 874} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HG2 )) ASSI { 875} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HG3 )) 3.300 1.300 1.300 peak 875 spectrum 1 weight 0.10000E+01 volume 0.15799E-02 ppm1 7.688 ppm2 1.414 CV 1 OR { 875} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HG2 )) ASSI { 876} (( segid " " and resid 393 and name H )) (( segid " " and resid 393 and name HB2 )) 3.100 1.200 1.200 peak 876 spectrum 1 weight 0.10000E+01 volume 0.10637E-02 ppm1 8.828 ppm2 1.928 CV 1 ASSI { 877} (( segid " " and resid 393 and name H )) (( segid " " and resid 393 and name HB3 )) 4.000 2.000 2.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.84593E-03 ppm1 8.824 ppm2 2.047 CV 1 ASSI { 879} (( segid " " and resid 394 and name H )) (( segid " " and resid 394 and name HA )) 2.200 0.600 0.600 peak 879 spectrum 1 weight 0.10000E+01 volume 0.10637E-01 ppm1 8.147 ppm2 4.343 CV 1 OR { 879} (( segid " " and resid 394 and name H )) (( segid " " and resid 394 and name HB )) ASSI { 880} (( segid " " and resid 410 and name H )) (( segid " " and resid 410 and name HA )) 2.200 0.600 0.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.91123E-02 ppm1 8.124 ppm2 4.363 CV 1 ASSI { 882} (( segid " " and resid 394 and name H )) ( segid " " and resid 394 and name HG2%) 2.900 1.000 1.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.28799E-02 ppm1 8.147 ppm2 1.209 CV 1 ASSI { 883} (( segid " " and resid 395 and name H )) (( segid " " and resid 395 and name HG2 )) 3.900 1.900 1.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.13436E-02 ppm1 8.574 ppm2 2.302 CV 1 ASSI { 884} (( segid " " and resid 395 and name H )) (( segid " " and resid 395 and name HG3 )) 3.900 1.900 1.900 peak 884 spectrum 1 weight 0.10000E+01 volume 0.12813E-02 ppm1 8.571 ppm2 2.390 CV 1 ASSI { 885} (( segid " " and resid 395 and name H )) (( segid " " and resid 395 and name HB2 )) 2.500 0.800 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.39871E-02 ppm1 8.571 ppm2 2.042 CV 1 OR { 885} (( segid " " and resid 395 and name H )) (( segid " " and resid 395 and name HB3 )) ASSI { 886} (( segid " " and resid 405 and name H )) (( segid " " and resid 406 and name H )) 2.400 0.700 0.700 peak 886 spectrum 1 weight 0.10000E+01 volume 0.46403E-02 ppm1 8.456 ppm2 9.023 CV 1 ASSI { 889} (( segid " " and resid 408 and name H )) (( segid " " and resid 409 and name H )) 2.200 0.600 0.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.51378E-02 ppm1 7.751 ppm2 8.699 CV 1 ASSI { 890} (( segid " " and resid 411 and name H )) (( segid " " and resid 412 and name H )) 2.300 0.700 0.700 peak 890 spectrum 1 weight 0.10000E+01 volume 0.68547E-02 ppm1 7.873 ppm2 8.187 CV 1 ASSI { 891} (( segid " " and resid 414 and name H )) (( segid " " and resid 413 and name H )) 2.300 0.700 0.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.53680E-02 ppm1 7.841 ppm2 8.324 CV 1 ASSI { 894} (( segid " " and resid 411 and name H )) (( segid " " and resid 410 and name H )) 2.200 0.600 0.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.72836E-02 ppm1 7.871 ppm2 8.120 CV 1 ASSI { 900} (( segid " " and resid 405 and name H )) (( segid " " and resid 404 and name H )) 2.300 0.700 0.700 peak 900 spectrum 1 weight 0.10000E+01 volume 0.56354E-02 ppm1 8.456 ppm2 7.909 CV 1 ASSI { 904} (( segid " " and resid 424 and name H )) (( segid " " and resid 425 and name H )) 2.400 0.700 0.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.44848E-02 ppm1 8.296 ppm2 7.741 CV 1 ASSI { 905} (( segid " " and resid 418 and name H )) (( segid " " and resid 417 and name H )) 3.300 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.18847E-02 ppm1 8.196 ppm2 7.791 CV 1 ASSI { 906} (( segid " " and resid 410 and name H )) (( segid " " and resid 409 and name H )) 2.300 0.600 0.600 peak 906 spectrum 1 weight 0.10000E+01 volume 0.58407E-02 ppm1 8.123 ppm2 8.694 CV 1 ASSI { 908} (( segid " " and resid 413 and name H )) (( segid " " and resid 412 and name H )) 2.400 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.47771E-02 ppm1 8.326 ppm2 8.185 CV 1 ASSI { 909} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name H )) 2.200 0.600 0.600 peak 909 spectrum 1 weight 0.10000E+01 volume 0.71095E-02 ppm1 7.674 ppm2 7.983 CV 1 ASSI { 910} (( segid " " and resid 408 and name H )) (( segid " " and resid 407 and name H )) 2.200 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.77567E-02 ppm1 7.750 ppm2 7.945 CV 1 ASSI { 912} (( segid " " and resid 446 and name H )) (( segid " " and resid 445 and name H )) 2.400 0.700 0.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.44225E-02 ppm1 7.643 ppm2 7.882 CV 1 ASSI { 913} (( segid " " and resid 420 and name H )) (( segid " " and resid 419 and name H )) 2.800 1.000 1.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.21584E-02 ppm1 7.624 ppm2 7.973 CV 1 ASSI { 915} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name H )) 2.000 0.500 0.500 peak 915 spectrum 1 weight 0.10000E+01 volume 0.11364E-01 ppm1 7.987 ppm2 7.671 CV 1 ASSI { 919} (( segid " " and resid 426 and name H )) (( segid " " and resid 425 and name H )) 2.500 0.800 0.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.41177E-02 ppm1 7.985 ppm2 7.738 CV 1 ASSI { 920} (( segid " " and resid 429 and name H )) (( segid " " and resid 430 and name H )) 2.300 0.700 0.700 peak 920 spectrum 1 weight 0.10000E+01 volume 0.57663E-02 ppm1 7.989 ppm2 7.809 CV 1 ASSI { 922} (( segid " " and resid 406 and name H )) (( segid " " and resid 403 and name HA )) 3.000 1.100 1.100 peak 922 spectrum 1 weight 0.10000E+01 volume 0.16235E-02 ppm1 9.022 ppm2 4.028 CV 1 ASSI { 923} (( segid " " and resid 406 and name H )) (( segid " " and resid 405 and name HA )) 3.300 1.300 1.300 peak 923 spectrum 1 weight 0.10000E+01 volume 0.11134E-02 ppm1 9.021 ppm2 4.176 CV 1 ASSI { 924} (( segid " " and resid 406 and name H )) (( segid " " and resid 406 and name HA )) 2.500 0.800 0.800 peak 924 spectrum 1 weight 0.10000E+01 volume 0.31287E-02 ppm1 9.022 ppm2 3.859 CV 1 ASSI { 925} (( segid " " and resid 406 and name H )) (( segid " " and resid 406 and name HB3 )) 3.200 1.300 1.300 peak 925 spectrum 1 weight 0.10000E+01 volume 0.38316E-02 ppm1 9.025 ppm2 2.161 CV 1 ASSI { 927} (( segid " " and resid 406 and name H )) (( segid " " and resid 406 and name HG3 )) 3.100 1.200 1.200 peak 927 spectrum 1 weight 0.10000E+01 volume 0.24259E-02 ppm1 9.023 ppm2 2.493 CV 1 ASSI { 928} (( segid " " and resid 406 and name H )) (( segid " " and resid 405 and name HB3 )) 2.900 1.100 1.100 peak 928 spectrum 1 weight 0.10000E+01 volume 0.13249E-02 ppm1 9.023 ppm2 1.972 CV 1 OR { 928} (( segid " " and resid 406 and name H )) (( segid " " and resid 405 and name HB2 )) ASSI { 929} (( segid " " and resid 409 and name H )) (( segid " " and resid 409 and name HA )) 2.400 0.700 0.700 peak 929 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 8.701 ppm2 3.747 CV 1 ASSI { 930} (( segid " " and resid 409 and name H )) (( segid " " and resid 406 and name HA )) 3.000 1.100 1.100 peak 930 spectrum 1 weight 0.10000E+01 volume 0.23201E-02 ppm1 8.702 ppm2 3.857 CV 1 ASSI { 931} (( segid " " and resid 409 and name H )) (( segid " " and resid 408 and name HA )) 3.000 1.200 1.200 peak 931 spectrum 1 weight 0.10000E+01 volume 0.14182E-02 ppm1 8.700 ppm2 4.024 CV 1 ASSI { 932} (( segid " " and resid 409 and name H )) (( segid " " and resid 409 and name HB3 )) 2.300 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.55793E-02 ppm1 8.701 ppm2 1.842 CV 1 ASSI { 933} (( segid " " and resid 409 and name H )) (( segid " " and resid 409 and name HG )) 3.700 1.700 1.700 peak 933 spectrum 1 weight 0.10000E+01 volume 0.13249E-02 ppm1 8.702 ppm2 1.472 CV 1 ASSI { 934} (( segid " " and resid 409 and name H )) ( segid " " and resid 432 and name HG2%) 3.200 1.300 1.300 peak 934 spectrum 1 weight 0.10000E+01 volume 0.26809E-02 ppm1 8.702 ppm2 1.020 CV 1 OR { 934} (( segid " " and resid 409 and name H )) ( segid " " and resid 432 and name HG1%) ASSI { 935} (( segid " " and resid 409 and name H )) ( segid " " and resid 409 and name HD1%) 3.800 1.800 1.800 peak 935 spectrum 1 weight 0.10000E+01 volume 0.16857E-02 ppm1 8.702 ppm2 0.800 CV 1 OR { 935} (( segid " " and resid 409 and name H )) ( segid " " and resid 409 and name HD2%) ASSI { 936} (( segid " " and resid 409 and name H )) ( segid " " and resid 408 and name HD1%) 2.900 1.100 1.100 peak 936 spectrum 1 weight 0.10000E+01 volume 0.11881E-02 ppm1 8.701 ppm2 0.894 CV 1 ASSI { 937} (( segid " " and resid 436 and name H )) (( segid " " and resid 436 and name HB2 )) 2.300 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.71284E-02 ppm1 8.655 ppm2 1.789 CV 1 OR { 937} (( segid " " and resid 436 and name H )) (( segid " " and resid 436 and name HB3 )) ASSI { 938} (( segid " " and resid 406 and name H )) ( segid " " and resid 408 and name HD1%) 3.800 1.800 1.800 peak 938 spectrum 1 weight 0.10000E+01 volume 0.97034E-03 ppm1 9.019 ppm2 0.895 CV 1 OR { 938} (( segid " " and resid 406 and name H )) ( segid " " and resid 408 and name HD2%) ASSI { 939} (( segid " " and resid 406 and name H )) ( segid " " and resid 402 and name HG2%) 3.700 1.700 1.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.74021E-03 ppm1 9.025 ppm2 0.767 CV 1 ASSI { 940} (( segid " " and resid 436 and name H )) ( segid " " and resid 432 and name HG1%) 2.700 2.700 3.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.13995E-02 ppm1 8.655 ppm2 1.025 CV 1 OR { 940} (( segid " " and resid 436 and name H )) ( segid " " and resid 432 and name HG2%) ASSI { 942} (( segid " " and resid 402 and name H )) (( segid " " and resid 399 and name HA )) 2.900 1.000 1.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.21895E-02 ppm1 8.636 ppm2 3.829 CV 1 ASSI { 943} (( segid " " and resid 402 and name H )) (( segid " " and resid 402 and name HA )) 2.600 0.800 0.800 peak 943 spectrum 1 weight 0.10000E+01 volume 0.31661E-02 ppm1 8.635 ppm2 3.386 CV 1 ASSI { 944} (( segid " " and resid 402 and name H )) (( segid " " and resid 401 and name HB2 )) 2.900 1.000 1.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.17665E-02 ppm1 8.633 ppm2 2.075 CV 1 OR { 944} (( segid " " and resid 402 and name H )) (( segid " " and resid 401 and name HB3 )) ASSI { 945} (( segid " " and resid 402 and name H )) (( segid " " and resid 402 and name HB )) 2.100 0.500 0.500 peak 945 spectrum 1 weight 0.10000E+01 volume 0.90315E-02 ppm1 8.635 ppm2 1.865 CV 1 ASSI { 946} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 433 and name HB2 )) 4.400 2.400 1.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.78994E-03 ppm1 10.137 ppm2 2.206 CV 1 ASSI { 947} (( segid " " and resid 402 and name H )) ( segid " " and resid 398 and name HD1%) 2.700 0.900 0.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.42421E-02 ppm1 8.636 ppm2 0.732 CV 1 ASSI { 948} (( segid " " and resid 402 and name H )) ( segid " " and resid 402 and name HG2%) 2.700 0.900 0.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.27369E-02 ppm1 8.631 ppm2 0.769 CV 1 ASSI { 949} (( segid " " and resid 439 and name H )) (( segid " " and resid 438 and name HA )) 3.100 1.200 1.200 peak 949 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 8.522 ppm2 4.047 CV 1 ASSI { 950} (( segid " " and resid 439 and name H )) (( segid " " and resid 435 and name HA )) 3.400 1.400 1.400 peak 950 spectrum 1 weight 0.10000E+01 volume 0.82109E-03 ppm1 8.525 ppm2 3.678 CV 1 ASSI { 951} (( segid " " and resid 439 and name H )) (( segid " " and resid 440 and name HD2 )) 3.900 1.900 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.12192E-02 ppm1 8.525 ppm2 1.606 CV 1 OR { 951} (( segid " " and resid 439 and name H )) (( segid " " and resid 440 and name HD3 )) ASSI { 952} (( segid " " and resid 405 and name H )) ( segid " " and resid 402 and name HG2%) 3.500 1.500 1.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.13062E-02 ppm1 8.454 ppm2 0.765 CV 1 ASSI { 953} (( segid " " and resid 405 and name H )) ( segid " " and resid 408 and name HD2%) 3.900 1.900 1.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.88326E-03 ppm1 8.459 ppm2 0.901 CV 1 OR { 953} (( segid " " and resid 405 and name H )) ( segid " " and resid 408 and name HD1%) ASSI { 954} (( segid " " and resid 421 and name H )) (( segid " " and resid 421 and name HB3 )) 2.400 0.700 0.700 peak 954 spectrum 1 weight 0.10000E+01 volume 0.66246E-02 ppm1 8.392 ppm2 1.690 CV 1 OR { 954} (( segid " " and resid 421 and name H )) (( segid " " and resid 421 and name HB2 )) ASSI { 955} (( segid " " and resid 432 and name H )) (( segid " " and resid 433 and name HB3 )) 2.900 2.900 3.100 peak 955 spectrum 1 weight 0.10000E+01 volume 0.61332E-02 ppm1 8.368 ppm2 2.066 CV 1 ASSI { 956} (( segid " " and resid 421 and name H )) (( segid " " and resid 420 and name HB )) 3.100 1.200 1.200 peak 956 spectrum 1 weight 0.10000E+01 volume 0.17603E-02 ppm1 8.389 ppm2 1.787 CV 1 ASSI { 957} (( segid " " and resid 421 and name H )) (( segid " " and resid 421 and name HG2 )) 3.400 1.400 1.400 peak 957 spectrum 1 weight 0.10000E+01 volume 0.10637E-02 ppm1 8.390 ppm2 1.362 CV 1 OR { 957} (( segid " " and resid 421 and name H )) (( segid " " and resid 421 and name HG3 )) ASSI { 959} (( segid " " and resid 421 and name H )) (( segid " " and resid 420 and name HA )) 2.000 0.500 0.500 peak 959 spectrum 1 weight 0.10000E+01 volume 0.13983E-01 ppm1 8.392 ppm2 4.018 CV 1 ASSI { 960} (( segid " " and resid 421 and name H )) (( segid " " and resid 421 and name HA )) 2.400 0.700 0.700 peak 960 spectrum 1 weight 0.10000E+01 volume 0.54926E-02 ppm1 8.394 ppm2 4.252 CV 1 ASSI { 961} (( segid " " and resid 405 and name H )) (( segid " " and resid 405 and name HA )) 2.400 0.700 0.700 peak 961 spectrum 1 weight 0.10000E+01 volume 0.53369E-02 ppm1 8.457 ppm2 4.174 CV 1 ASSI { 962} (( segid " " and resid 405 and name H )) (( segid " " and resid 402 and name HA )) 3.000 1.100 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.19158E-02 ppm1 8.455 ppm2 3.383 CV 1 ASSI { 963} (( segid " " and resid 405 and name H )) (( segid " " and resid 405 and name HG2 )) 2.900 1.100 1.100 peak 963 spectrum 1 weight 0.10000E+01 volume 0.50072E-02 ppm1 8.456 ppm2 2.627 CV 1 ASSI { 964} (( segid " " and resid 405 and name H )) (( segid " " and resid 405 and name HB3 )) 2.200 0.600 0.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.70972E-02 ppm1 8.456 ppm2 1.969 CV 1 OR { 964} (( segid " " and resid 405 and name H )) (( segid " " and resid 405 and name HB2 )) ASSI { 965} (( segid " " and resid 405 and name H )) (( segid " " and resid 405 and name HG3 )) 2.500 0.800 0.800 peak 965 spectrum 1 weight 0.10000E+01 volume 0.32967E-02 ppm1 8.455 ppm2 2.166 CV 1 ASSI { 966} (( segid " " and resid 405 and name H )) (( segid " " and resid 404 and name HG2 )) 4.000 2.000 2.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.85218E-03 ppm1 8.451 ppm2 1.757 CV 1 ASSI { 967} (( segid " " and resid 432 and name H )) (( segid " " and resid 432 and name HA )) 2.500 0.800 0.800 peak 967 spectrum 1 weight 0.10000E+01 volume 0.38316E-02 ppm1 8.371 ppm2 3.614 CV 1 ASSI { 968} (( segid " " and resid 413 and name H )) (( segid " " and resid 409 and name HA )) 3.200 1.300 1.300 peak 968 spectrum 1 weight 0.10000E+01 volume 0.21024E-02 ppm1 8.331 ppm2 3.756 CV 1 ASSI { 969} (( segid " " and resid 432 and name H )) (( segid " " and resid 429 and name HA )) 2.900 1.100 1.100 peak 969 spectrum 1 weight 0.10000E+01 volume 0.15923E-02 ppm1 8.371 ppm2 3.756 CV 1 ASSI { 970} (( segid " " and resid 413 and name H )) (( segid " " and resid 412 and name HB2 )) 2.800 1.000 1.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.43354E-02 ppm1 8.326 ppm2 1.870 CV 1 OR { 970} (( segid " " and resid 413 and name H )) (( segid " " and resid 412 and name HB3 )) ASSI { 971} (( segid " " and resid 413 and name H )) (( segid " " and resid 410 and name HA )) 3.000 1.100 1.100 peak 971 spectrum 1 weight 0.10000E+01 volume 0.27182E-02 ppm1 8.325 ppm2 4.362 CV 1 ASSI { 972} (( segid " " and resid 413 and name H )) (( segid " " and resid 413 and name HA )) 2.300 0.700 0.700 peak 972 spectrum 1 weight 0.10000E+01 volume 0.67863E-02 ppm1 8.326 ppm2 4.172 CV 1 ASSI { 973} (( segid " " and resid 413 and name H )) (( segid " " and resid 412 and name HA )) 2.600 0.900 0.900 peak 973 spectrum 1 weight 0.10000E+01 volume 0.33340E-02 ppm1 8.326 ppm2 4.063 CV 1 ASSI { 974} (( segid " " and resid 413 and name H )) (( segid " " and resid 413 and name HB3 )) 2.800 1.000 1.000 peak 974 spectrum 1 weight 0.10000E+01 volume 0.70659E-02 ppm1 8.325 ppm2 3.165 CV 1 ASSI { 975} (( segid " " and resid 413 and name H )) (( segid " " and resid 413 and name HB2 )) 2.200 0.600 0.600 peak 975 spectrum 1 weight 0.10000E+01 volume 0.53493E-02 ppm1 8.326 ppm2 3.102 CV 1 ASSI { 976} (( segid " " and resid 413 and name H )) (( segid " " and resid 412 and name HG )) 2.600 0.800 0.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.24259E-02 ppm1 8.326 ppm2 1.156 CV 1 ASSI { 977} (( segid " " and resid 413 and name H )) ( segid " " and resid 429 and name HD2%) 3.300 1.400 1.400 peak 977 spectrum 1 weight 0.10000E+01 volume 0.24134E-02 ppm1 8.326 ppm2 0.608 CV 1 OR { 977} (( segid " " and resid 413 and name H )) ( segid " " and resid 429 and name HD1%) ASSI { 978} (( segid " " and resid 424 and name H )) (( segid " " and resid 424 and name HA )) 2.300 0.600 0.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.80864E-02 ppm1 8.297 ppm2 4.247 CV 1 ASSI { 979} (( segid " " and resid 424 and name H )) (( segid " " and resid 423 and name HA )) 2.800 1.000 1.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.34584E-02 ppm1 8.295 ppm2 4.051 CV 1 ASSI { 980} (( segid " " and resid 424 and name H )) (( segid " " and resid 424 and name HB2 )) 2.200 0.600 0.600 peak 980 spectrum 1 weight 0.10000E+01 volume 0.84657E-02 ppm1 8.294 ppm2 3.902 CV 1 OR { 980} (( segid " " and resid 424 and name H )) (( segid " " and resid 424 and name HB3 )) ASSI { 981} (( segid " " and resid 437 and name H )) (( segid " " and resid 437 and name HA )) 2.200 0.600 0.600 peak 981 spectrum 1 weight 0.10000E+01 volume 0.73585E-02 ppm1 8.276 ppm2 3.746 CV 1 ASSI { 982} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HB3 )) 2.700 0.900 0.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.45532E-02 ppm1 8.275 ppm2 1.790 CV 1 OR { 982} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HB2 )) ASSI { 983} (( segid " " and resid 437 and name H )) ( segid " " and resid 438 and name HB% ) 3.700 1.700 1.700 peak 983 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 8.274 ppm2 1.459 CV 1 ASSI { 984} (( segid " " and resid 396 and name H )) (( segid " " and resid 395 and name HG2 )) 3.900 1.900 1.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.13249E-02 ppm1 8.248 ppm2 2.293 CV 1 ASSI { 985} (( segid " " and resid 422 and name H )) (( segid " " and resid 422 and name HA )) 2.600 0.900 0.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.35268E-02 ppm1 8.190 ppm2 4.587 CV 1 ASSI { 986} (( segid " " and resid 422 and name H )) (( segid " " and resid 421 and name HA )) 1.900 0.500 0.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.20937E-01 ppm1 8.191 ppm2 4.251 CV 1 ASSI { 987} (( segid " " and resid 422 and name H )) (( segid " " and resid 421 and name HB2 )) 3.100 1.200 1.200 peak 987 spectrum 1 weight 0.10000E+01 volume 0.43293E-02 ppm1 8.191 ppm2 1.705 CV 1 OR { 987} (( segid " " and resid 422 and name H )) (( segid " " and resid 421 and name HB3 )) ASSI { 988} (( segid " " and resid 422 and name H )) (( segid " " and resid 423 and name HA )) 2.500 2.500 3.500 peak 988 spectrum 1 weight 0.10000E+01 volume 0.58159E-02 ppm1 8.190 ppm2 4.053 CV 1 ASSI { 990} (( segid " " and resid 418 and name H )) (( segid " " and resid 417 and name HA )) 2.600 0.800 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.40742E-02 ppm1 8.195 ppm2 4.140 CV 1 ASSI { 991} (( segid " " and resid 412 and name H )) (( segid " " and resid 411 and name HB3 )) 2.500 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.33900E-02 ppm1 8.188 ppm2 3.802 CV 1 OR { 991} (( segid " " and resid 412 and name H )) (( segid " " and resid 411 and name HB2 )) ASSI { 992} (( segid " " and resid 422 and name H )) (( segid " " and resid 422 and name HB3 )) 2.800 1.000 1.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.42297E-02 ppm1 8.190 ppm2 2.676 CV 1 ASSI { 993} (( segid " " and resid 422 and name H )) (( segid " " and resid 422 and name HB2 )) 2.600 2.600 3.400 peak 993 spectrum 1 weight 0.10000E+01 volume 0.36139E-02 ppm1 8.191 ppm2 2.458 CV 1 ASSI { 994} (( segid " " and resid 418 and name H )) (( segid " " and resid 417 and name HB2 )) 3.000 1.100 1.100 peak 994 spectrum 1 weight 0.10000E+01 volume 0.17043E-02 ppm1 8.194 ppm2 2.047 CV 1 OR { 994} (( segid " " and resid 418 and name H )) (( segid " " and resid 417 and name HB3 )) ASSI { 995} (( segid " " and resid 412 and name H )) (( segid " " and resid 412 and name HB3 )) 2.400 0.700 0.700 peak 995 spectrum 1 weight 0.10000E+01 volume 0.59587E-02 ppm1 8.189 ppm2 1.863 CV 1 OR { 995} (( segid " " and resid 412 and name H )) (( segid " " and resid 412 and name HB2 )) ASSI { 996} (( segid " " and resid 414 and name H )) (( segid " " and resid 413 and name HA )) 2.800 1.000 1.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.26622E-02 ppm1 7.842 ppm2 4.167 CV 1 ASSI { 997} (( segid " " and resid 412 and name H )) (( segid " " and resid 412 and name HG )) 2.300 0.700 0.700 peak 997 spectrum 1 weight 0.10000E+01 volume 0.33216E-02 ppm1 8.190 ppm2 1.156 CV 1 ASSI { 998} (( segid " " and resid 412 and name H )) (( segid " " and resid 412 and name HA )) 2.400 0.700 0.700 peak 998 spectrum 1 weight 0.10000E+01 volume 0.47833E-02 ppm1 8.185 ppm2 4.068 CV 1 ASSI { 999} (( segid " " and resid 412 and name H )) ( segid " " and resid 412 and name HD1%) 3.100 1.200 1.200 peak 999 spectrum 1 weight 0.10000E+01 volume 0.47211E-02 ppm1 8.183 ppm2 0.826 CV 1 ASSI { 1000} (( segid " " and resid 410 and name H )) (( segid " " and resid 407 and name HA )) 2.900 1.100 1.100 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.19780E-02 ppm1 8.119 ppm2 4.267 CV 1 ASSI { 1001} (( segid " " and resid 410 and name H )) (( segid " " and resid 409 and name HA )) 2.800 1.000 1.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.22393E-02 ppm1 8.124 ppm2 3.756 CV 1 ASSI { 1002} (( segid " " and resid 435 and name H )) (( segid " " and resid 434 and name HG2 )) 2.700 0.900 0.900 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.21957E-02 ppm1 8.123 ppm2 1.461 CV 1 ASSI { 1003} (( segid " " and resid 410 and name H )) (( segid " " and resid 408 and name HA )) 3.300 1.300 1.300 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.12751E-02 ppm1 8.122 ppm2 4.018 CV 1 ASSI { 1004} (( segid " " and resid 435 and name H )) (( segid " " and resid 431 and name HA )) 3.700 1.700 1.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 8.130 ppm2 4.055 CV 1 ASSI { 1005} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HA )) 2.200 0.600 0.600 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.97718E-02 ppm1 7.842 ppm2 3.987 CV 1 ASSI { 1006} (( segid " " and resid 414 and name H )) (( segid " " and resid 413 and name HB2 )) 2.700 0.900 0.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.33838E-02 ppm1 7.841 ppm2 3.105 CV 1 ASSI { 1007} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HD2 )) 3.200 1.300 1.300 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.31661E-02 ppm1 7.842 ppm2 3.141 CV 1 OR { 1007} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HD3 )) ASSI { 1008} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HB3 )) 2.100 0.600 0.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.12360E-01 ppm1 7.842 ppm2 1.884 CV 1 OR { 1008} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HB2 )) ASSI { 1009} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HG2 )) 2.600 0.900 0.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.28613E-02 ppm1 7.835 ppm2 1.726 CV 1 ASSI { 1010} (( segid " " and resid 429 and name H )) (( segid " " and resid 429 and name HA )) 2.300 0.700 0.700 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.61704E-02 ppm1 7.994 ppm2 3.770 CV 1 ASSI { 1011} (( segid " " and resid 427 and name H )) (( segid " " and resid 427 and name HG2 )) 2.600 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.36450E-02 ppm1 7.986 ppm2 2.361 CV 1 ASSI { 1012} (( segid " " and resid 427 and name H )) (( segid " " and resid 427 and name HB2 )) 2.200 0.600 0.600 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.10929E-01 ppm1 7.986 ppm2 2.028 CV 1 OR { 1012} (( segid " " and resid 427 and name H )) (( segid " " and resid 427 and name HB3 )) ASSI { 1013} (( segid " " and resid 429 and name H )) (( segid " " and resid 429 and name HB3 )) 2.100 0.500 0.500 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.94609E-02 ppm1 7.988 ppm2 1.709 CV 1 OR { 1013} (( segid " " and resid 429 and name H )) (( segid " " and resid 429 and name HB2 )) ASSI { 1014} (( segid " " and resid 429 and name H )) (( segid " " and resid 429 and name HG )) 2.000 0.500 0.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.80611E-02 ppm1 7.989 ppm2 1.442 CV 1 ASSI { 1015} (( segid " " and resid 429 and name H )) ( segid " " and resid 412 and name HD1%) 2.600 0.900 0.900 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.35144E-02 ppm1 7.988 ppm2 0.826 CV 1 ASSI { 1016} (( segid " " and resid 429 and name H )) ( segid " " and resid 429 and name HD2%) 3.000 1.100 1.100 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.29546E-02 ppm1 7.998 ppm2 0.601 CV 1 OR { 1016} (( segid " " and resid 429 and name H )) ( segid " " and resid 429 and name HD1%) ASSI { 1017} (( segid " " and resid 419 and name H )) (( segid " " and resid 419 and name HA2 )) 2.200 0.600 0.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.91311E-02 ppm1 7.975 ppm2 3.950 CV 1 ASSI { 1018} (( segid " " and resid 419 and name H )) (( segid " " and resid 419 and name HA3 )) 2.600 0.900 0.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.50881E-02 ppm1 7.973 ppm2 3.849 CV 1 ASSI { 1019} (( segid " " and resid 407 and name H )) (( segid " " and resid 407 and name HA )) 2.300 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.80428E-02 ppm1 7.949 ppm2 4.264 CV 1 ASSI { 1020} (( segid " " and resid 407 and name H )) (( segid " " and resid 407 and name HB2 )) 1.900 0.500 0.500 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.16210E-01 ppm1 7.949 ppm2 3.226 CV 1 OR { 1020} (( segid " " and resid 407 and name H )) (( segid " " and resid 407 and name HB3 )) ASSI { 1021} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HG3 )) 3.000 1.100 1.100 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.16110E-02 ppm1 7.842 ppm2 1.546 CV 1 ASSI { 1022} (( segid " " and resid 417 and name H )) (( segid " " and resid 417 and name HA )) 2.500 0.800 0.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.47584E-02 ppm1 7.791 ppm2 4.140 CV 1 ASSI { 1023} (( segid " " and resid 417 and name H )) (( segid " " and resid 416 and name HA )) 2.700 0.900 0.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.36512E-02 ppm1 7.790 ppm2 4.245 CV 1 ASSI { 1024} (( segid " " and resid 417 and name H )) (( segid " " and resid 417 and name HG3 )) 2.600 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.37943E-02 ppm1 7.795 ppm2 2.352 CV 1 OR { 1024} (( segid " " and resid 417 and name H )) (( segid " " and resid 417 and name HG2 )) ASSI { 1025} (( segid " " and resid 431 and name H )) (( segid " " and resid 432 and name HA )) 3.700 1.700 1.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.13498E-02 ppm1 7.935 ppm2 3.612 CV 1 ASSI { 1026} (( segid " " and resid 415 and name H )) (( segid " " and resid 415 and name HA )) 2.400 0.700 0.700 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.65998E-02 ppm1 7.918 ppm2 4.396 CV 1 ASSI { 1027} (( segid " " and resid 415 and name H )) (( segid " " and resid 415 and name HB3 )) 3.000 1.200 1.200 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.61456E-02 ppm1 7.919 ppm2 2.767 CV 1 ASSI { 1028} (( segid " " and resid 415 and name H )) (( segid " " and resid 415 and name HB2 )) 2.400 0.700 0.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.35766E-02 ppm1 7.919 ppm2 2.587 CV 1 ASSI { 1029} (( segid " " and resid 411 and name H )) (( segid " " and resid 410 and name HB3 )) 2.600 0.800 0.800 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.33527E-02 ppm1 7.872 ppm2 2.744 CV 1 ASSI { 1030} (( segid " " and resid 411 and name H )) (( segid " " and resid 410 and name HB2 )) 3.200 1.300 1.300 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.32656E-02 ppm1 7.872 ppm2 2.662 CV 1 ASSI { 1031} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HA )) 2.200 0.600 0.600 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.10400E-01 ppm1 7.912 ppm2 4.027 CV 1 ASSI { 1032} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HD3 )) 3.600 1.600 1.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.14182E-02 ppm1 7.911 ppm2 3.173 CV 1 OR { 1032} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HD2 )) ASSI { 1033} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HB2 )) 2.300 0.600 0.600 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.71656E-02 ppm1 7.911 ppm2 1.970 CV 1 OR { 1033} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HB3 )) ASSI { 1035} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HG3 )) 3.000 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.25689E-02 ppm1 7.910 ppm2 1.510 CV 1 ASSI { 1036} (( segid " " and resid 411 and name H )) (( segid " " and resid 410 and name HA )) 2.900 1.000 1.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.25316E-02 ppm1 7.872 ppm2 4.364 CV 1 ASSI { 1037} (( segid " " and resid 414 and name H )) (( segid " " and resid 410 and name HA )) 3.400 1.400 1.400 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.13125E-02 ppm1 7.843 ppm2 4.372 CV 1 ASSI { 1038} (( segid " " and resid 445 and name H )) (( segid " " and resid 445 and name HB2 )) 2.500 0.800 0.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.44723E-02 ppm1 7.879 ppm2 2.060 CV 1 ASSI { 1039} (( segid " " and resid 417 and name H )) (( segid " " and resid 417 and name HB3 )) 2.500 0.800 0.800 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.69231E-02 ppm1 7.793 ppm2 2.044 CV 1 OR { 1039} (( segid " " and resid 417 and name H )) (( segid " " and resid 417 and name HB2 )) ASSI { 1040} (( segid " " and resid 416 and name H )) (( segid " " and resid 415 and name HA )) 2.900 1.100 1.100 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.22330E-02 ppm1 7.758 ppm2 4.396 CV 1 ASSI { 1041} (( segid " " and resid 416 and name H )) (( segid " " and resid 416 and name HA )) 2.300 0.700 0.700 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.74204E-02 ppm1 7.753 ppm2 4.248 CV 1 ASSI { 1042} (( segid " " and resid 416 and name H )) (( segid " " and resid 415 and name HB3 )) 3.400 1.400 1.400 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.18163E-02 ppm1 7.762 ppm2 2.767 CV 1 ASSI { 1043} (( segid " " and resid 416 and name H )) (( segid " " and resid 415 and name HB2 )) 3.100 1.200 1.200 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.13062E-02 ppm1 7.755 ppm2 2.584 CV 1 ASSI { 1044} (( segid " " and resid 416 and name H )) (( segid " " and resid 416 and name HB2 )) 2.300 0.600 0.600 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.83472E-02 ppm1 7.754 ppm2 1.699 CV 1 OR { 1044} (( segid " " and resid 416 and name H )) (( segid " " and resid 416 and name HB3 )) ASSI { 1045} (( segid " " and resid 416 and name H )) (( segid " " and resid 416 and name HG )) 2.300 0.700 0.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.48455E-02 ppm1 7.759 ppm2 1.599 CV 1 ASSI { 1046} (( segid " " and resid 416 and name H )) ( segid " " and resid 416 and name HD1%) 3.400 1.400 1.400 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.24632E-02 ppm1 7.752 ppm2 0.831 CV 1 ASSI { 1047} (( segid " " and resid 416 and name H )) ( segid " " and resid 416 and name HD2%) 3.400 1.400 1.400 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.19905E-02 ppm1 7.759 ppm2 0.729 CV 1 ASSI { 1048} (( segid " " and resid 408 and name H )) (( segid " " and resid 408 and name HA )) 2.200 0.600 0.600 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.75325E-02 ppm1 7.750 ppm2 4.023 CV 1 ASSI { 1049} (( segid " " and resid 417 and name H )) (( segid " " and resid 414 and name HA )) 3.000 1.200 1.200 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 7.788 ppm2 3.980 CV 1 ASSI { 1050} (( segid " " and resid 425 and name H )) (( segid " " and resid 425 and name HA )) 2.600 0.800 0.800 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.27991E-02 ppm1 7.742 ppm2 3.975 CV 1 ASSI { 1051} (( segid " " and resid 425 and name H )) (( segid " " and resid 424 and name HB2 )) 3.000 1.100 1.100 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.16359E-02 ppm1 7.745 ppm2 3.897 CV 1 OR { 1051} (( segid " " and resid 425 and name H )) (( segid " " and resid 424 and name HB3 )) ASSI { 1053} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HB2 )) 2.200 0.600 0.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.63633E-02 ppm1 7.722 ppm2 1.792 CV 1 OR { 1053} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HB3 )) ASSI { 1055} (( segid " " and resid 425 and name H )) (( segid " " and resid 425 and name HG2 )) 3.400 1.400 1.400 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.73396E-03 ppm1 7.750 ppm2 1.253 CV 1 OR { 1055} (( segid " " and resid 425 and name H )) (( segid " " and resid 425 and name HG3 )) ASSI { 1056} (( segid " " and resid 408 and name H )) ( segid " " and resid 408 and name HD2%) 3.300 1.400 1.400 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.28426E-02 ppm1 7.751 ppm2 0.893 CV 1 OR { 1056} (( segid " " and resid 408 and name H )) ( segid " " and resid 408 and name HD1%) ASSI { 1057} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HA )) 2.300 0.600 0.600 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.79867E-02 ppm1 7.721 ppm2 4.221 CV 1 ASSI { 1058} (( segid " " and resid 403 and name H )) (( segid " " and resid 399 and name HA )) 3.300 1.400 1.400 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.14306E-02 ppm1 7.692 ppm2 3.830 CV 1 ASSI { 1059} (( segid " " and resid 403 and name H )) (( segid " " and resid 402 and name HA )) 2.900 1.100 1.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.17790E-02 ppm1 7.693 ppm2 3.385 CV 1 ASSI { 1060} (( segid " " and resid 403 and name H )) ( segid " " and resid 402 and name HG2%) 2.400 0.700 0.700 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.44039E-02 ppm1 7.693 ppm2 0.760 CV 1 ASSI { 1061} (( segid " " and resid 443 and name H )) (( segid " " and resid 440 and name HA )) 2.700 0.900 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.25440E-02 ppm1 7.643 ppm2 3.780 CV 1 ASSI { 1062} (( segid " " and resid 438 and name H )) (( segid " " and resid 437 and name HA )) 2.900 1.100 1.100 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.21273E-02 ppm1 7.615 ppm2 3.751 CV 1 ASSI { 1063} (( segid " " and resid 420 and name H )) (( segid " " and resid 420 and name HG12)) 2.600 0.800 0.800 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.19718E-02 ppm1 7.630 ppm2 1.121 CV 1 ASSI { 1064} (( segid " " and resid 420 and name H )) (( segid " " and resid 420 and name HG13)) 3.700 1.700 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.23388E-02 ppm1 7.634 ppm2 1.387 CV 1 ASSI { 1065} (( segid " " and resid 420 and name H )) (( segid " " and resid 420 and name HB )) 2.500 0.800 0.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.61515E-02 ppm1 7.629 ppm2 1.786 CV 1 ASSI { 1066} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 395 and name HG3 )) 3.300 1.300 1.300 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.31225E-02 ppm1 7.635 ppm2 2.393 CV 1 ASSI { 1067} (( segid " " and resid 420 and name H )) (( segid " " and resid 419 and name HA3 )) 2.900 1.000 1.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.22144E-02 ppm1 7.631 ppm2 3.848 CV 1 ASSI { 1068} (( segid " " and resid 438 and name H )) (( segid " " and resid 438 and name HA )) 2.400 0.700 0.700 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.60271E-02 ppm1 7.610 ppm2 4.057 CV 1 ASSI { 1069} (( segid " " and resid 438 and name H )) (( segid " " and resid 439 and name HA )) 3.100 3.100 2.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.34397E-02 ppm1 7.615 ppm2 3.929 CV 1 ASSI { 1070} (( segid " " and resid 441 and name H )) (( segid " " and resid 439 and name HA )) 2.600 2.600 3.400 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.33900E-02 ppm1 7.570 ppm2 3.922 CV 1 ASSI { 1071} (( segid " " and resid 430 and name HE3 )) (( segid " " and resid 430 and name HB3 )) 2.600 0.800 0.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.40680E-02 ppm1 7.570 ppm2 3.346 CV 1 OR { 1071} (( segid " " and resid 430 and name HE3 )) (( segid " " and resid 430 and name HB2 )) ASSI { 1072} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HG3 )) 3.300 1.400 1.400 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.32158E-02 ppm1 7.574 ppm2 1.743 CV 1 ASSI { 1073} (( segid " " and resid 441 and name H )) ( segid " " and resid 437 and name HG2%) 3.700 1.700 1.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.12316E-02 ppm1 7.572 ppm2 1.176 CV 1 ASSI { 1074} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 413 and name HB3 )) 3.000 1.100 1.100 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.28302E-02 ppm1 6.972 ppm2 3.163 CV 1 ASSI { 1075} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 413 and name HB2 )) 2.800 1.000 1.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.21957E-02 ppm1 6.973 ppm2 3.103 CV 1 ASSI { 1076} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 429 and name HG )) 3.100 3.100 2.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.42981E-02 ppm1 6.972 ppm2 1.466 CV 1 ASSI { 1077} (( segid " " and resid 413 and name HD2 )) ( segid " " and resid 429 and name HD2%) 2.500 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.44101E-02 ppm1 6.973 ppm2 0.601 CV 1 OR { 1077} (( segid " " and resid 413 and name HD2 )) ( segid " " and resid 429 and name HD1%) ASSI { 1078} (( segid " " and resid 413 and name HD2 )) ( segid " " and resid 416 and name HD2%) 3.600 1.600 1.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.12254E-02 ppm1 6.973 ppm2 0.729 CV 1 ASSI { 1079} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 413 and name HA )) 2.500 0.800 0.800 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.39000E-02 ppm1 6.972 ppm2 4.170 CV 1 ASSI { 1080} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 410 and name HA )) 3.000 3.000 3.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.29546E-02 ppm1 6.973 ppm2 4.363 CV 1 ASSI { 1081} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 407 and name HB2 )) 2.100 0.500 0.500 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.95978E-02 ppm1 7.246 ppm2 3.227 CV 1 OR { 1081} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 407 and name HB3 )) ASSI { 1082} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 407 and name HB2 )) 3.100 1.200 1.200 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.43168E-02 ppm1 7.292 ppm2 3.228 CV 1 OR { 1082} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 407 and name HB3 )) ASSI { 1083} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 408 and name HA )) 2.600 0.800 0.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.33713E-02 ppm1 7.247 ppm2 4.025 CV 1 ASSI { 1084} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 408 and name HA )) 2.600 2.600 3.400 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.17230E-02 ppm1 7.291 ppm2 4.023 CV 1 ASSI { 1085} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 407 and name HA )) 2.500 0.800 0.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.57162E-02 ppm1 7.246 ppm2 4.265 CV 1 ASSI { 1086} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 405 and name HG2 )) 3.000 1.100 1.100 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.40991E-02 ppm1 7.300 ppm2 2.628 CV 1 ASSI { 1087} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 407 and name HA )) 2.500 2.500 3.500 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.21584E-02 ppm1 7.293 ppm2 4.266 CV 1 ASSI { 1089} ( segid " " and resid 407 and name HD% ) ( segid " " and resid 408 and name HD2%) 3.300 3.300 2.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.30976E-02 ppm1 7.246 ppm2 0.898 CV 1 OR { 1089} ( segid " " and resid 407 and name HD% ) ( segid " " and resid 408 and name HD1%) ASSI { 1090} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 408 and name HG )) 4.300 2.300 1.700 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 7.245 ppm2 1.656 CV 1 ASSI { 1091} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 401 and name HG2 )) 3.200 3.200 2.800 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.10574E-02 ppm1 7.302 ppm2 2.278 CV 1 OR { 1091} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 401 and name HG3 )) ASSI { 1092} (( segid " " and resid 405 and name HE21)) (( segid " " and resid 405 and name HG2 )) 2.900 1.000 1.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.17292E-02 ppm1 6.157 ppm2 2.633 CV 1 ASSI { 1093} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 416 and name HG )) 3.800 1.800 1.800 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.87707E-03 ppm1 6.972 ppm2 1.599 CV 1 ASSI { 1094} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 430 and name HB2 )) 2.500 0.800 0.800 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.73833E-02 ppm1 7.210 ppm2 3.346 CV 1 OR { 1094} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 430 and name HB3 )) ASSI { 1095} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 430 and name HA )) 2.000 0.500 0.500 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.10083E-01 ppm1 7.209 ppm2 4.451 CV 1 ASSI { 1096} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 430 and name H )) 3.200 1.300 1.300 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.37010E-02 ppm1 7.210 ppm2 7.812 CV 1 ASSI { 1097} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 430 and name HE1 )) 1.900 1.900 4.100 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.23506E-01 ppm1 7.210 ppm2 10.133 CV 1 ASSI { 1101} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 430 and name HZ2 )) 2.400 0.700 0.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.76446E-02 ppm1 10.136 ppm2 7.382 CV 1 ASSI { 1102} (( segid " " and resid 430 and name HZ2 )) (( segid " " and resid 430 and name HH2 )) 2.000 0.500 0.500 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.21708E-01 ppm1 7.373 ppm2 7.121 CV 1 ASSI { 1104} (( segid " " and resid 430 and name HZ3 )) (( segid " " and resid 430 and name HZ2 )) 3.500 1.500 1.500 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.25627E-02 ppm1 7.079 ppm2 7.379 CV 1 ASSI { 1105} (( segid " " and resid 430 and name HZ3 )) (( segid " " and resid 430 and name HE3 )) 2.300 0.600 0.600 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.93240E-02 ppm1 7.073 ppm2 7.572 CV 1 ASSI { 1106} (( segid " " and resid 430 and name HH2 )) (( segid " " and resid 430 and name HE3 )) 3.100 1.200 1.200 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.52312E-02 ppm1 7.118 ppm2 7.576 CV 1 ASSI { 1108} (( segid " " and resid 410 and name HD22)) (( segid " " and resid 410 and name HB3 )) 3.100 1.200 1.200 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.38690E-02 ppm1 7.511 ppm2 2.743 CV 1 ASSI { 1109} (( segid " " and resid 410 and name HD22)) (( segid " " and resid 410 and name HB2 )) 3.300 1.400 1.400 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.27244E-02 ppm1 7.510 ppm2 2.662 CV 1 ASSI { 1110} (( segid " " and resid 430 and name HD1 )) ( segid " " and resid 429 and name HD1%) 2.900 1.100 1.100 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.30230E-02 ppm1 7.208 ppm2 0.592 CV 1 ASSI { 1111} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 429 and name HB2 )) 3.400 3.400 2.600 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.15861E-02 ppm1 7.209 ppm2 1.714 CV 1 ASSI { 1112} (( segid " " and resid 433 and name HE22)) (( segid " " and resid 433 and name HG3 )) 3.300 1.300 1.300 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.29110E-02 ppm1 7.051 ppm2 2.426 CV 1 ASSI { 1113} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 433 and name HB3 )) 3.100 1.200 1.200 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.12751E-02 ppm1 7.211 ppm2 2.033 CV 1 ASSI { 1114} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 429 and name HG )) 4.300 2.400 1.700 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.78375E-03 ppm1 7.211 ppm2 1.425 CV 1 ASSI { 1115} (( segid " " and resid 433 and name HE22)) (( segid " " and resid 433 and name HG2 )) 3.400 1.400 1.400 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.25689E-02 ppm1 7.051 ppm2 2.268 CV 1 ASSI { 1116} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 395 and name HG2 )) 3.200 1.300 1.300 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.20153E-02 ppm1 6.898 ppm2 2.303 CV 1 ASSI { 1117} (( segid " " and resid 410 and name HD21)) (( segid " " and resid 410 and name HB3 )) 3.100 1.200 1.200 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.19780E-02 ppm1 6.910 ppm2 2.744 CV 1 ASSI { 1118} (( segid " " and resid 417 and name HE22)) (( segid " " and resid 417 and name HG3 )) 3.600 1.600 1.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.16981E-02 ppm1 6.745 ppm2 2.351 CV 1 OR { 1118} (( segid " " and resid 417 and name HE22)) (( segid " " and resid 417 and name HG2 )) ASSI { 1119} (( segid " " and resid 410 and name HD21)) (( segid " " and resid 410 and name HB2 )) 2.800 1.000 1.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.16857E-02 ppm1 6.911 ppm2 2.660 CV 1 ASSI { 1120} (( segid " " and resid 433 and name HE21)) (( segid " " and resid 433 and name HG2 )) 3.400 1.500 1.500 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.14928E-02 ppm1 6.718 ppm2 2.276 CV 1 ASSI { 1121} (( segid " " and resid 433 and name HE21)) (( segid " " and resid 433 and name HG3 )) 2.900 1.000 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.12192E-02 ppm1 6.718 ppm2 2.429 CV 1 ASSI { 1122} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 395 and name HG3 )) 2.900 2.900 3.100 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.10699E-02 ppm1 6.898 ppm2 2.390 CV 1 ASSI { 1123} (( segid " " and resid 433 and name HE22)) (( segid " " and resid 433 and name HB2 )) 4.100 2.100 1.900 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.84593E-03 ppm1 7.057 ppm2 2.193 CV 1 ASSI { 1124} (( segid " " and resid 433 and name HE21)) ( segid " " and resid 429 and name HD1%) 3.000 1.100 1.100 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.17665E-02 ppm1 6.716 ppm2 0.593 CV 1 ASSI { 1125} (( segid " " and resid 433 and name HE21)) ( segid " " and resid 409 and name HD1%) 2.900 1.000 1.000 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.13933E-02 ppm1 6.718 ppm2 0.802 CV 1 OR { 1125} (( segid " " and resid 433 and name HE21)) ( segid " " and resid 409 and name HD2%) ASSI { 1126} (( segid " " and resid 410 and name HD21)) (( segid " " and resid 414 and name HB2 )) 3.400 1.400 1.400 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.13436E-02 ppm1 6.902 ppm2 1.878 CV 1 OR { 1126} (( segid " " and resid 410 and name HD21)) (( segid " " and resid 414 and name HB3 )) ASSI { 1127} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 443 and name HB3 )) 3.500 1.500 1.500 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.98898E-03 ppm1 6.899 ppm2 1.663 CV 1 OR { 1127} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 443 and name HB2 )) ASSI { 1128} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 443 and name HA )) 3.200 3.200 2.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.33216E-02 ppm1 6.899 ppm2 4.154 CV 1 ASSI { 1129} (( segid " " and resid 417 and name HE21)) (( segid " " and resid 417 and name HG3 )) 2.700 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.26063E-02 ppm1 7.351 ppm2 2.353 CV 1 OR { 1129} (( segid " " and resid 417 and name HE21)) (( segid " " and resid 417 and name HG2 )) ASSI { 1130} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 430 and name HA )) 4.500 2.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.85837E-03 ppm1 10.138 ppm2 4.441 CV 1 ASSI { 1142} (( segid " " and resid 394 and name HB )) ( segid " " and resid 394 and name HG2%) 2.300 0.600 0.600 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 4.340 ppm2 1.209 CV 1 ASSI { 1143} (( segid " " and resid 394 and name HA )) ( segid " " and resid 396 and name HB% ) 3.200 1.300 1.300 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.20464E-02 ppm1 4.344 ppm2 1.378 CV 1 ASSI { 1144} (( segid " " and resid 433 and name HE22)) ( segid " " and resid 409 and name HD1%) 2.600 2.600 3.400 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.18225E-02 ppm1 7.051 ppm2 0.797 CV 1 OR { 1144} (( segid " " and resid 433 and name HE22)) ( segid " " and resid 409 and name HD2%) ASSI { 1145} (( segid " " and resid 433 and name HE22)) ( segid " " and resid 429 and name HD1%) 2.900 1.100 1.100 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.17603E-02 ppm1 7.051 ppm2 0.598 CV 1 ASSI { 1146} (( segid " " and resid 410 and name HD22)) (( segid " " and resid 414 and name HB2 )) 3.500 1.600 1.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 7.512 ppm2 1.879 CV 1 OR { 1146} (( segid " " and resid 410 and name HD22)) (( segid " " and resid 414 and name HB3 )) ASSI { 1147} (( segid " " and resid 424 and name HA )) (( segid " " and resid 424 and name HB3 )) 2.100 0.600 0.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.13541E-01 ppm1 4.247 ppm2 3.907 CV 1 OR { 1147} (( segid " " and resid 424 and name HA )) (( segid " " and resid 424 and name HB2 )) ASSI { 1152} (( segid " " and resid 403 and name HA )) (( segid " " and resid 406 and name HG3 )) 3.400 1.400 1.400 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 4.036 ppm2 2.491 CV 1 ASSI { 1153} (( segid " " and resid 406 and name HA )) (( segid " " and resid 406 and name HB2 )) 2.600 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.55858E-02 ppm1 3.859 ppm2 2.116 CV 1 ASSI { 1154} (( segid " " and resid 432 and name HA )) (( segid " " and resid 435 and name HB )) 2.300 0.700 0.700 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.51876E-02 ppm1 3.607 ppm2 1.955 CV 1 ASSI { 1155} (( segid " " and resid 432 and name HA )) (( segid " " and resid 432 and name HB )) 2.600 0.900 0.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.30292E-02 ppm1 3.606 ppm2 2.065 CV 1 ASSI { 1156} (( segid " " and resid 426 and name HA )) (( segid " " and resid 426 and name HG3 )) 2.800 1.000 1.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.22268E-02 ppm1 3.708 ppm2 2.223 CV 1 OR { 1156} (( segid " " and resid 426 and name HA )) (( segid " " and resid 426 and name HG2 )) ASSI { 1158} (( segid " " and resid 421 and name HA )) (( segid " " and resid 421 and name HG2 )) 2.900 1.100 1.100 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.18847E-02 ppm1 4.256 ppm2 1.340 CV 1 OR { 1158} (( segid " " and resid 421 and name HA )) (( segid " " and resid 421 and name HG3 )) ASSI { 1159} (( segid " " and resid 432 and name HA )) (( segid " " and resid 435 and name HG12)) 4.200 2.200 1.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.11694E-02 ppm1 3.630 ppm2 1.692 CV 1 ASSI { 1160} (( segid " " and resid 437 and name HA )) ( segid " " and resid 437 and name HG2%) 2.100 0.500 0.500 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.13162E-01 ppm1 3.743 ppm2 1.175 CV 1 ASSI { 1161} (( segid " " and resid 429 and name HA )) ( segid " " and resid 429 and name HD1%) 2.900 1.100 1.100 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.65562E-02 ppm1 3.768 ppm2 0.607 CV 1 OR { 1161} (( segid " " and resid 429 and name HA )) ( segid " " and resid 429 and name HD2%) ASSI { 1165} (( segid " " and resid 423 and name HB2 )) ( segid " " and resid 423 and name HD1%) 1.900 0.500 0.500 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.28351E-01 ppm1 1.644 ppm2 0.842 CV 1 OR { 1165} (( segid " " and resid 423 and name HB3 )) ( segid " " and resid 423 and name HD1%) OR { 1165} (( segid " " and resid 423 and name HB3 )) ( segid " " and resid 423 and name HD2%) ASSI { 1167} (( segid " " and resid 402 and name HA )) ( segid " " and resid 402 and name HG2%) 2.500 0.800 0.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.75325E-02 ppm1 3.379 ppm2 0.756 CV 1 ASSI { 1168} (( segid " " and resid 430 and name HB2 )) (( segid " " and resid 430 and name HA )) 2.200 0.600 0.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.77814E-02 ppm1 3.349 ppm2 4.452 CV 1 OR { 1168} (( segid " " and resid 430 and name HB3 )) (( segid " " and resid 430 and name HA )) ASSI { 1169} (( segid " " and resid 425 and name HE2 )) (( segid " " and resid 425 and name HG3 )) 2.800 1.000 1.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.25067E-02 ppm1 2.886 ppm2 1.252 CV 1 OR { 1169} (( segid " " and resid 425 and name HE2 )) (( segid " " and resid 425 and name HG2 )) OR { 1169} (( segid " " and resid 425 and name HE3 )) (( segid " " and resid 425 and name HG2 )) OR { 1169} (( segid " " and resid 425 and name HE3 )) (( segid " " and resid 425 and name HG3 )) ASSI { 1170} (( segid " " and resid 412 and name HB3 )) (( segid " " and resid 412 and name HG )) 2.200 0.600 0.600 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.74269E-02 ppm1 1.868 ppm2 1.158 CV 1 OR { 1170} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 412 and name HG )) ASSI { 1172} (( segid " " and resid 413 and name HB2 )) ( segid " " and resid 429 and name HD2%) 3.500 1.500 1.500 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.11881E-02 ppm1 3.107 ppm2 0.614 CV 1 OR { 1172} (( segid " " and resid 413 and name HB2 )) ( segid " " and resid 429 and name HD1%) ASSI { 1174} (( segid " " and resid 425 and name HD2 )) (( segid " " and resid 425 and name HG3 )) 2.300 0.700 0.700 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.66122E-02 ppm1 1.430 ppm2 1.249 CV 1 OR { 1174} (( segid " " and resid 425 and name HD3 )) (( segid " " and resid 425 and name HG2 )) OR { 1174} (( segid " " and resid 425 and name HD3 )) (( segid " " and resid 425 and name HG3 )) OR { 1174} (( segid " " and resid 425 and name HD2 )) (( segid " " and resid 425 and name HG2 )) ASSI { 1175} (( segid " " and resid 421 and name HB3 )) (( segid " " and resid 421 and name HG2 )) 2.200 0.600 0.600 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.89447E-02 ppm1 1.708 ppm2 1.361 CV 1 OR { 1175} (( segid " " and resid 421 and name HB2 )) (( segid " " and resid 421 and name HG3 )) OR { 1175} (( segid " " and resid 421 and name HB3 )) (( segid " " and resid 421 and name HG3 )) OR { 1175} (( segid " " and resid 421 and name HB2 )) (( segid " " and resid 421 and name HG2 )) ASSI { 1177} (( segid " " and resid 422 and name HB3 )) (( segid " " and resid 422 and name HB2 )) 1.700 0.400 0.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.18399E-01 ppm1 2.655 ppm2 2.460 CV 1 ASSI { 1181} (( segid " " and resid 425 and name HE3 )) (( segid " " and resid 425 and name HD2 )) 2.600 0.800 0.800 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.36388E-02 ppm1 2.885 ppm2 1.430 CV 1 OR { 1181} (( segid " " and resid 425 and name HE3 )) (( segid " " and resid 425 and name HD3 )) OR { 1181} (( segid " " and resid 425 and name HE2 )) (( segid " " and resid 425 and name HD2 )) OR { 1181} (( segid " " and resid 425 and name HE2 )) (( segid " " and resid 425 and name HD3 )) ASSI { 1182} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 399 and name HG2 )) 3.200 1.300 1.300 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.11694E-02 ppm1 2.763 ppm2 1.360 CV 1 OR { 1182} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 399 and name HG2 )) OR { 1182} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 399 and name HG3 )) OR { 1182} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 399 and name HG3 )) ASSI { 1183} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HG2 )) 2.500 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.24694E-02 ppm1 3.032 ppm2 1.423 CV 1 ASSI { 1184} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HG2 )) 2.800 0.900 0.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.18722E-02 ppm1 2.984 ppm2 1.423 CV 1 ASSI { 1185} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HG3 )) 3.000 1.100 1.100 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.17665E-02 ppm1 2.985 ppm2 1.618 CV 1 ASSI { 1186} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HG3 )) 2.800 1.000 1.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.17105E-02 ppm1 3.026 ppm2 1.612 CV 1 ASSI { 1187} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HB3 )) 3.400 1.500 1.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.14991E-02 ppm1 3.029 ppm2 1.826 CV 1 OR { 1187} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HB2 )) ASSI { 1188} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HB3 )) 2.900 1.100 1.100 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.13187E-02 ppm1 2.980 ppm2 1.822 CV 1 OR { 1188} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HB2 )) ASSI { 1189} (( segid " " and resid 413 and name HB2 )) (( segid " " and resid 410 and name HA )) 2.400 0.700 0.700 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.38876E-02 ppm1 3.107 ppm2 4.363 CV 1 ASSI { 1190} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 410 and name HA )) 2.200 0.600 0.600 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.72712E-02 ppm1 2.678 ppm2 4.363 CV 1 ASSI { 1191} (( segid " " and resid 415 and name HB2 )) (( segid " " and resid 415 and name HA )) 2.600 0.900 0.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.64253E-02 ppm1 2.605 ppm2 4.395 CV 1 ASSI { 1193} (( segid " " and resid 415 and name HB2 )) (( segid " " and resid 412 and name HA )) 2.400 0.700 0.700 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.33402E-02 ppm1 2.604 ppm2 4.058 CV 1 ASSI { 1194} (( segid " " and resid 422 and name HB3 )) (( segid " " and resid 422 and name HA )) 2.700 0.900 0.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.23948E-02 ppm1 2.648 ppm2 4.585 CV 1 ASSI { 1195} (( segid " " and resid 393 and name HG3 )) (( segid " " and resid 393 and name HA )) 3.000 1.100 1.100 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.22704E-02 ppm1 2.254 ppm2 4.342 CV 1 OR { 1195} (( segid " " and resid 393 and name HG2 )) (( segid " " and resid 393 and name HA )) ASSI { 1196} ( segid " " and resid 432 and name HG2%) ( segid " " and resid 429 and name HD1%) 3.300 1.400 1.400 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 1.032 ppm2 0.610 CV 1 OR { 1196} ( segid " " and resid 432 and name HG1%) ( segid " " and resid 429 and name HD1%) ASSI { 1197} (( segid " " and resid 433 and name HB2 )) (( segid " " and resid 430 and name HA )) 3.100 1.200 1.200 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.16235E-02 ppm1 2.195 ppm2 4.453 CV 1 ASSI { 1198} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 430 and name HA )) 4.300 2.300 1.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.10014E-02 ppm1 2.420 ppm2 4.453 CV 1 ASSI { 1200} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 437 and name HB )) 2.000 0.500 0.500 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.13019E-01 ppm1 1.181 ppm2 4.183 CV 1 ASSI { 1201} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 405 and name HA )) 2.800 1.000 1.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.23885E-02 ppm1 1.025 ppm2 4.175 CV 1 ASSI { 1202} (( segid " " and resid 433 and name HB3 )) (( segid " " and resid 430 and name HA )) 2.600 0.800 0.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.19158E-02 ppm1 2.069 ppm2 4.451 CV 1 ASSI { 1203} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 394 and name HB )) 3.200 1.300 1.300 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.15302E-02 ppm1 1.385 ppm2 4.338 CV 1 ASSI { 1204} ( segid " " and resid 423 and name HD2%) (( segid " " and resid 422 and name HA )) 2.700 2.700 3.300 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.12502E-02 ppm1 0.831 ppm2 4.593 CV 1 OR { 1204} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 422 and name HA )) ASSI { 1205} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 430 and name HA )) 3.200 1.300 1.300 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.88946E-03 ppm1 0.592 ppm2 4.450 CV 1 ASSI { 1207} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 441 and name HD3 )) 3.000 1.100 1.100 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.26000E-02 ppm1 1.179 ppm2 3.121 CV 1 OR { 1207} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 441 and name HD2 )) ASSI { 1209} (( segid " " and resid 434 and name HB2 )) (( segid " " and resid 434 and name HD3 )) 3.200 1.300 1.300 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.12813E-02 ppm1 1.835 ppm2 2.986 CV 1 OR { 1209} (( segid " " and resid 434 and name HB2 )) (( segid " " and resid 434 and name HD2 )) ASSI { 1211} (( segid " " and resid 416 and name HG )) (( segid " " and resid 415 and name HB2 )) 3.300 1.300 1.300 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.90816E-03 ppm1 1.627 ppm2 2.589 CV 1 ASSI { 1212} (( segid " " and resid 440 and name HD2 )) (( segid " " and resid 440 and name HE2 )) 2.100 0.500 0.500 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.11793E-01 ppm1 1.625 ppm2 2.888 CV 1 OR { 1212} (( segid " " and resid 440 and name HD3 )) (( segid " " and resid 440 and name HE3 )) OR { 1212} (( segid " " and resid 440 and name HD3 )) (( segid " " and resid 440 and name HE2 )) OR { 1212} (( segid " " and resid 440 and name HD2 )) (( segid " " and resid 440 and name HE3 )) ASSI { 1213} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 432 and name HB )) 2.000 0.500 0.500 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.12845E-01 ppm1 1.031 ppm2 2.067 CV 1 OR { 1213} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 432 and name HB )) ASSI { 1214} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 429 and name HB3 )) 2.200 0.600 0.600 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.59156E-02 ppm1 0.593 ppm2 1.714 CV 1 OR { 1214} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 429 and name HB2 )) OR { 1214} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 429 and name HB2 )) ASSI { 1215} (( segid " " and resid 439 and name HG )) (( segid " " and resid 439 and name HB2 )) 2.300 0.600 0.600 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.60088E-02 ppm1 1.266 ppm2 1.902 CV 1 OR { 1215} (( segid " " and resid 439 and name HG )) (( segid " " and resid 439 and name HB3 )) ASSI { 1216} (( segid " " and resid 425 and name HG3 )) (( segid " " and resid 425 and name HB3 )) 2.800 1.000 1.000 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.18599E-02 ppm1 1.233 ppm2 1.675 CV 1 OR { 1216} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 425 and name HB3 )) ASSI { 1217} (( segid " " and resid 442 and name HG3 )) (( segid " " and resid 442 and name HB3 )) 2.900 1.000 1.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 1.413 ppm2 1.966 CV 1 OR { 1217} (( segid " " and resid 442 and name HG2 )) (( segid " " and resid 442 and name HB3 )) ASSI { 1219} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 420 and name HG13)) 2.100 0.600 0.600 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.10400E-01 ppm1 0.786 ppm2 1.370 CV 1 ASSI { 1220} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 439 and name HG )) 2.400 0.700 0.700 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.42359E-02 ppm1 0.769 ppm2 1.270 CV 1 ASSI { 1222} ( segid " " and resid 429 and name HD1%) ( segid " " and resid 432 and name HG2%) 3.500 1.500 1.500 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.19034E-02 ppm1 0.615 ppm2 1.027 CV 1 OR { 1222} ( segid " " and resid 429 and name HD2%) ( segid " " and resid 432 and name HG2%) OR { 1222} ( segid " " and resid 429 and name HD1%) ( segid " " and resid 432 and name HG1%) ASSI { 1223} (( segid " " and resid 445 and name H )) (( segid " " and resid 445 and name HG2 )) 2.700 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.13560E-02 ppm1 7.883 ppm2 2.187 CV 1 ASSI { 1} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 405 and name HE21)) 1.800 0.400 0.400 peak 1 spectrum 1 weight 0.10000E+01 volume 0.14656E-01 ppm1 7.298 ppm2 6.154 CV 1 ASSI { 10} (( segid " " and resid 419 and name H )) (( segid " " and resid 417 and name HA )) 5.000 3.200 1.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.13561E-03 ppm1 7.971 ppm2 4.147 CV 1 ASSI { 12} (( segid " " and resid 422 and name H )) (( segid " " and resid 421 and name HG3 )) 5.100 3.300 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.19144E-03 ppm1 8.187 ppm2 1.323 CV 1 OR { 12} (( segid " " and resid 422 and name H )) (( segid " " and resid 421 and name HG2 )) ASSI { 13} (( segid " " and resid 422 and name H )) ( segid " " and resid 423 and name HD2%) 3.000 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.19331E-02 ppm1 8.189 ppm2 0.834 CV 1 OR { 13} (( segid " " and resid 422 and name H )) ( segid " " and resid 423 and name HD1%) ASSI { 23} (( segid " " and resid 408 and name H )) (( segid " " and resid 406 and name H )) 5.900 4.300 0.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.58498E-04 ppm1 7.751 ppm2 9.022 CV 1 ASSI { 24} (( segid " " and resid 408 and name H )) ( segid " " and resid 407 and name HD% ) 4.700 2.700 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.17549E-03 ppm1 7.749 ppm2 7.267 CV 1 ASSI { 25} (( segid " " and resid 401 and name H )) (( segid " " and resid 399 and name H )) 4.600 2.700 1.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.13029E-03 ppm1 7.867 ppm2 8.258 CV 1 ASSI { 27} (( segid " " and resid 395 and name H )) (( segid " " and resid 395 and name HG3 )) 4.700 2.800 1.300 peak 27 spectrum 1 weight 0.10000E+01 volume 0.44138E-03 ppm1 8.572 ppm2 2.339 CV 1 OR { 27} (( segid " " and resid 395 and name H )) (( segid " " and resid 395 and name HG2 )) ASSI { 30} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name HB2 )) 4.100 2.100 1.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.65939E-03 ppm1 7.932 ppm2 2.213 CV 1 OR { 30} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name HG2 )) ASSI { 33} (( segid " " and resid 407 and name H )) ( segid " " and resid 407 and name HD% ) 5.200 3.400 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.24728E-03 ppm1 7.948 ppm2 7.240 CV 1 ASSI { 39} (( segid " " and resid 431 and name H )) (( segid " " and resid 428 and name H )) 3.500 1.500 1.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.72588E-03 ppm1 7.920 ppm2 7.668 CV 1 ASSI { 40} (( segid " " and resid 431 and name H )) (( segid " " and resid 430 and name HE3 )) 3.600 1.600 1.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.23664E-03 ppm1 7.936 ppm2 7.534 CV 1 ASSI { 41} (( segid " " and resid 431 and name H )) (( segid " " and resid 431 and name HG3 )) 3.500 1.500 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.25659E-02 ppm1 7.937 ppm2 2.273 CV 1 OR { 41} (( segid " " and resid 431 and name H )) (( segid " " and resid 431 and name HG2 )) ASSI { 52} (( segid " " and resid 399 and name H )) (( segid " " and resid 398 and name HG12)) 5.500 3.700 0.500 peak 52 spectrum 1 weight 0.10000E+01 volume 0.93063E-04 ppm1 8.232 ppm2 1.008 CV 1 OR { 52} (( segid " " and resid 399 and name H )) (( segid " " and resid 398 and name HG13)) ASSI { 53} (( segid " " and resid 399 and name H )) ( segid " " and resid 398 and name HG2%) 3.100 1.200 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.10742E-02 ppm1 8.233 ppm2 0.846 CV 1 ASSI { 57} (( segid " " and resid 430 and name H )) (( segid " " and resid 430 and name HE3 )) 6.000 4.700 0.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.11167E-03 ppm1 7.812 ppm2 7.541 CV 1 ASSI { 59} (( segid " " and resid 444 and name H )) (( segid " " and resid 395 and name HE21)) 5.000 3.100 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.23664E-03 ppm1 7.726 ppm2 6.882 CV 1 ASSI { 66} (( segid " " and resid 411 and name H )) (( segid " " and resid 410 and name HD22)) 6.000 4.500 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.50520E-04 ppm1 7.869 ppm2 7.568 CV 1 ASSI { 67} (( segid " " and resid 410 and name H )) (( segid " " and resid 410 and name HD22)) 5.900 4.400 0.100 peak 67 spectrum 1 weight 0.10000E+01 volume 0.13826E-03 ppm1 8.120 ppm2 7.531 CV 1 ASSI { 69} (( segid " " and resid 410 and name H )) (( segid " " and resid 409 and name HG )) 4.500 2.600 1.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.28185E-03 ppm1 8.118 ppm2 1.469 CV 1 ASSI { 70} (( segid " " and resid 437 and name H )) (( segid " " and resid 434 and name H )) 4.700 2.800 1.300 peak 70 spectrum 1 weight 0.10000E+01 volume 0.11965E-03 ppm1 8.270 ppm2 7.969 CV 1 ASSI { 71} (( segid " " and resid 437 and name H )) ( segid " " and resid 436 and name HD2%) 5.100 3.200 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.93063E-04 ppm1 8.272 ppm2 0.866 CV 1 OR { 71} (( segid " " and resid 437 and name H )) ( segid " " and resid 436 and name HD1%) ASSI { 72} (( segid " " and resid 424 and name H )) (( segid " " and resid 423 and name H )) 2.900 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.14332E-02 ppm1 8.295 ppm2 8.619 CV 1 ASSI { 76} (( segid " " and resid 410 and name HD22)) (( segid " " and resid 407 and name HA )) 5.400 3.600 0.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.10636E-03 ppm1 7.508 ppm2 4.275 CV 1 ASSI { 79} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 444 and name HA )) 4.400 2.400 1.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.21537E-03 ppm1 7.635 ppm2 4.158 CV 1 ASSI { 80} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 395 and name HA )) 5.000 3.100 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.18879E-03 ppm1 7.633 ppm2 3.984 CV 1 ASSI { 82} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 444 and name HA )) 4.400 2.400 1.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.57965E-03 ppm1 6.895 ppm2 4.156 CV 1 ASSI { 83} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 395 and name HA )) 4.300 2.400 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.11965E-03 ppm1 6.895 ppm2 3.980 CV 1 ASSI { 86} (( segid " " and resid 433 and name HE22)) (( segid " " and resid 433 and name HB2 )) 4.200 2.300 1.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.69134E-03 ppm1 7.051 ppm2 2.259 CV 1 OR { 86} (( segid " " and resid 433 and name HE22)) (( segid " " and resid 433 and name HG2 )) ASSI { 88} (( segid " " and resid 433 and name HE21)) (( segid " " and resid 433 and name HG2 )) 3.400 1.500 1.500 peak 88 spectrum 1 weight 0.10000E+01 volume 0.47329E-03 ppm1 6.716 ppm2 2.267 CV 1 OR { 88} (( segid " " and resid 433 and name HE21)) (( segid " " and resid 433 and name HB2 )) ASSI { 90} (( segid " " and resid 446 and name H )) (( segid " " and resid 445 and name HB2 )) 3.900 1.900 1.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.38023E-03 ppm1 7.644 ppm2 2.053 CV 1 ASSI { 95} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 434 and name HD3 )) 4.800 2.800 1.200 peak 95 spectrum 1 weight 0.10000E+01 volume 0.16220E-03 ppm1 10.134 ppm2 3.018 CV 1 OR { 95} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 434 and name HD2 )) ASSI { 97} (( segid " " and resid 445 and name H )) (( segid " " and resid 444 and name HB2 )) 3.400 1.500 1.500 peak 97 spectrum 1 weight 0.10000E+01 volume 0.48127E-03 ppm1 7.877 ppm2 1.770 CV 1 OR { 97} (( segid " " and resid 445 and name H )) (( segid " " and resid 444 and name HB3 )) ASSI { 98} (( segid " " and resid 417 and name H )) (( segid " " and resid 416 and name HG )) 3.900 1.900 1.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.77906E-03 ppm1 7.794 ppm2 1.615 CV 1 ASSI { 100} (( segid " " and resid 408 and name H )) (( segid " " and resid 408 and name HG )) 2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.78175E-03 ppm1 7.748 ppm2 1.668 CV 1 ASSI { 105} (( segid " " and resid 418 and name H )) (( segid " " and resid 419 and name H )) 4.000 2.000 2.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.39884E-03 ppm1 8.187 ppm2 7.951 CV 1 ASSI { 106} (( segid " " and resid 418 and name H )) (( segid " " and resid 417 and name HG2 )) 5.200 3.400 0.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.11699E-03 ppm1 8.192 ppm2 2.352 CV 1 OR { 106} (( segid " " and resid 418 and name H )) (( segid " " and resid 417 and name HG3 )) ASSI { 108} (( segid " " and resid 418 and name H )) (( segid " " and resid 420 and name H )) 4.900 3.000 1.100 peak 108 spectrum 1 weight 0.10000E+01 volume 0.11699E-03 ppm1 8.183 ppm2 7.621 CV 1 ASSI { 122} (( segid " " and resid 397 and name H )) (( segid " " and resid 394 and name HB )) 3.500 1.500 1.500 peak 122 spectrum 1 weight 0.10000E+01 volume 0.58762E-03 ppm1 8.238 ppm2 4.346 CV 1 ASSI { 123} (( segid " " and resid 397 and name H )) (( segid " " and resid 397 and name HA3 )) 2.400 0.700 0.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.40682E-02 ppm1 8.235 ppm2 3.966 CV 1 ASSI { 125} (( segid " " and resid 397 and name H )) ( segid " " and resid 396 and name HB% ) 3.000 1.100 1.100 peak 125 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 8.237 ppm2 1.377 CV 1 ASSI { 126} (( segid " " and resid 423 and name H )) (( segid " " and resid 422 and name HA )) 2.100 0.500 0.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.10290E-01 ppm1 8.633 ppm2 4.588 CV 1 ASSI { 127} (( segid " " and resid 423 and name H )) (( segid " " and resid 422 and name HB2 )) 4.500 2.600 1.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.39618E-03 ppm1 8.631 ppm2 2.460 CV 1 ASSI { 128} (( segid " " and resid 423 and name H )) (( segid " " and resid 423 and name HB3 )) 2.200 0.600 0.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.10077E-01 ppm1 8.632 ppm2 1.634 CV 1 OR { 128} (( segid " " and resid 423 and name H )) (( segid " " and resid 423 and name HB2 )) ASSI { 129} (( segid " " and resid 423 and name H )) (( segid " " and resid 423 and name HA )) 2.700 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 8.633 ppm2 4.049 CV 1 ASSI { 130} (( segid " " and resid 423 and name H )) ( segid " " and resid 423 and name HD2%) 4.100 2.100 1.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.45202E-03 ppm1 8.628 ppm2 0.843 CV 1 OR { 130} (( segid " " and resid 423 and name H )) ( segid " " and resid 423 and name HD1%) ASSI { 131} (( segid " " and resid 422 and name H )) (( segid " " and resid 423 and name H )) 3.900 1.900 1.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.59026E-03 ppm1 8.190 ppm2 8.625 CV 1 ASSI { 141} (( segid " " and resid 438 and name H )) (( segid " " and resid 434 and name HA )) 3.800 1.800 1.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.53978E-03 ppm1 7.609 ppm2 3.911 CV 1 ASSI { 148} (( segid " " and resid 398 and name H )) (( segid " " and resid 398 and name HB )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.36480E-02 ppm1 8.023 ppm2 1.809 CV 1 ASSI { 162} (( segid " " and resid 435 and name H )) ( segid " " and resid 435 and name HD1%) 3.700 1.700 1.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.17629E-02 ppm1 8.129 ppm2 0.816 CV 1 OR { 162} (( segid " " and resid 435 and name H )) ( segid " " and resid 435 and name HG2%) ASSI { 171} (( segid " " and resid 425 and name H )) (( segid " " and resid 424 and name HA )) 3.300 1.400 1.400 peak 171 spectrum 1 weight 0.10000E+01 volume 0.10955E-02 ppm1 7.750 ppm2 4.249 CV 1 ASSI { 172} (( segid " " and resid 425 and name H )) (( segid " " and resid 425 and name HB2 )) 2.500 0.800 0.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.24835E-02 ppm1 7.745 ppm2 1.826 CV 1 ASSI { 175} (( segid " " and resid 425 and name H )) (( segid " " and resid 422 and name HB3 )) 3.900 1.900 1.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.31110E-03 ppm1 7.742 ppm2 2.682 CV 1 ASSI { 176} (( segid " " and resid 425 and name H )) (( segid " " and resid 425 and name HB3 )) 3.600 1.700 1.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.14119E-02 ppm1 7.735 ppm2 1.675 CV 1 ASSI { 177} (( segid " " and resid 425 and name H )) (( segid " " and resid 425 and name HD3 )) 3.200 1.300 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.16352E-02 ppm1 7.735 ppm2 1.447 CV 1 OR { 177} (( segid " " and resid 425 and name H )) (( segid " " and resid 425 and name HD2 )) ASSI { 180} (( segid " " and resid 408 and name H )) (( segid " " and resid 405 and name HA )) 4.300 2.400 1.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.48925E-03 ppm1 7.750 ppm2 4.191 CV 1 ASSI { 182} (( segid " " and resid 408 and name H )) (( segid " " and resid 406 and name HA )) 4.800 2.900 1.200 peak 182 spectrum 1 weight 0.10000E+01 volume 0.17815E-03 ppm1 7.750 ppm2 3.844 CV 1 ASSI { 184} (( segid " " and resid 408 and name H )) (( segid " " and resid 408 and name HB3 )) 3.000 1.100 1.100 peak 184 spectrum 1 weight 0.10000E+01 volume 0.16884E-02 ppm1 7.749 ppm2 1.803 CV 1 OR { 184} (( segid " " and resid 408 and name H )) (( segid " " and resid 408 and name HB2 )) ASSI { 185} (( segid " " and resid 408 and name H )) ( segid " " and resid 432 and name HG1%) 5.900 4.400 0.100 peak 185 spectrum 1 weight 0.10000E+01 volume 0.11167E-03 ppm1 7.750 ppm2 1.048 CV 1 OR { 185} (( segid " " and resid 408 and name H )) ( segid " " and resid 432 and name HG2%) ASSI { 189} (( segid " " and resid 401 and name H )) (( segid " " and resid 398 and name HA )) 3.200 1.300 1.300 peak 189 spectrum 1 weight 0.10000E+01 volume 0.15076E-02 ppm1 7.860 ppm2 3.802 CV 1 ASSI { 193} (( segid " " and resid 401 and name H )) ( segid " " and resid 402 and name HG2%) 4.300 2.400 1.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.52647E-03 ppm1 7.860 ppm2 0.742 CV 1 OR { 193} (( segid " " and resid 401 and name H )) ( segid " " and resid 402 and name HD1%) OR { 193} (( segid " " and resid 401 and name H )) (( segid " " and resid 402 and name HG13)) ASSI { 197} (( segid " " and resid 396 and name H )) (( segid " " and resid 397 and name HA2 )) 6.000 5.900 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.47861E-04 ppm1 8.250 ppm2 3.858 CV 1 ASSI { 198} (( segid " " and resid 396 and name H )) (( segid " " and resid 395 and name HG3 )) 6.000 4.900 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.39884E-04 ppm1 8.248 ppm2 2.377 CV 1 ASSI { 200} (( segid " " and resid 396 and name H )) (( segid " " and resid 399 and name HB2 )) 6.000 4.700 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.71791E-04 ppm1 8.250 ppm2 1.822 CV 1 ASSI { 201} (( segid " " and resid 396 and name H )) ( segid " " and resid 396 and name HB% ) 2.400 0.700 0.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.58552E-02 ppm1 8.249 ppm2 1.379 CV 1 ASSI { 202} (( segid " " and resid 396 and name H )) ( segid " " and resid 394 and name HG2%) 4.400 2.400 1.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.74452E-04 ppm1 8.250 ppm2 1.213 CV 1 ASSI { 205} (( segid " " and resid 436 and name H )) (( segid " " and resid 434 and name H )) 4.700 2.800 1.300 peak 205 spectrum 1 weight 0.10000E+01 volume 0.19676E-03 ppm1 8.651 ppm2 7.946 CV 1 ASSI { 220} (( segid " " and resid 409 and name H )) (( segid " " and resid 405 and name HA )) 4.400 2.400 1.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.29514E-03 ppm1 8.696 ppm2 4.188 CV 1 ASSI { 223} (( segid " " and resid 409 and name H )) (( segid " " and resid 409 and name HB2 )) 2.400 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.36161E-02 ppm1 8.701 ppm2 1.600 CV 1 ASSI { 226} (( segid " " and resid 409 and name H )) (( segid " " and resid 407 and name H )) 4.300 2.300 1.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.16751E-03 ppm1 8.697 ppm2 7.938 CV 1 ASSI { 228} (( segid " " and resid 429 and name H )) (( segid " " and resid 430 and name HB2 )) 6.000 4.700 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.10370E-03 ppm1 7.984 ppm2 3.335 CV 1 OR { 228} (( segid " " and resid 429 and name H )) (( segid " " and resid 430 and name HB3 )) ASSI { 231} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name HA )) 3.500 1.600 1.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.71791E-03 ppm1 7.986 ppm2 4.078 CV 1 ASSI { 234} (( segid " " and resid 429 and name H )) (( segid " " and resid 426 and name HG3 )) 5.700 4.000 0.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.90406E-04 ppm1 7.989 ppm2 2.225 CV 1 OR { 234} (( segid " " and resid 429 and name H )) (( segid " " and resid 426 and name HG2 )) ASSI { 235} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name HB3 )) 2.500 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.27546E-02 ppm1 7.987 ppm2 1.887 CV 1 OR { 235} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name HB2 )) ASSI { 238} (( segid " " and resid 429 and name H )) ( segid " " and resid 432 and name HG2%) 5.400 3.700 0.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.85088E-04 ppm1 7.988 ppm2 1.022 CV 1 OR { 238} (( segid " " and resid 429 and name H )) ( segid " " and resid 432 and name HG1%) ASSI { 243} (( segid " " and resid 434 and name H )) (( segid " " and resid 430 and name HA )) 5.300 3.500 0.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.71791E-04 ppm1 7.929 ppm2 4.447 CV 1 ASSI { 244} (( segid " " and resid 434 and name H )) (( segid " " and resid 431 and name HA )) 4.200 2.200 1.800 peak 244 spectrum 1 weight 0.10000E+01 volume 0.42809E-03 ppm1 7.935 ppm2 4.076 CV 1 ASSI { 245} (( segid " " and resid 434 and name H )) (( segid " " and resid 434 and name HA )) 2.700 0.900 0.900 peak 245 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 7.926 ppm2 3.930 CV 1 ASSI { 246} (( segid " " and resid 434 and name H )) (( segid " " and resid 432 and name HA )) 5.100 3.200 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.10370E-03 ppm1 7.928 ppm2 3.623 CV 1 ASSI { 247} (( segid " " and resid 434 and name H )) (( segid " " and resid 434 and name HD3 )) 6.000 5.600 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.58498E-04 ppm1 7.928 ppm2 3.020 CV 1 ASSI { 248} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name HB3 )) 3.000 1.100 1.100 peak 248 spectrum 1 weight 0.10000E+01 volume 0.73919E-03 ppm1 7.931 ppm2 2.054 CV 1 ASSI { 257} (( segid " " and resid 402 and name H )) (( segid " " and resid 401 and name HG3 )) 5.500 3.700 0.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.14890E-03 ppm1 8.637 ppm2 2.269 CV 1 OR { 257} (( segid " " and resid 402 and name H )) (( segid " " and resid 401 and name HG2 )) ASSI { 260} (( segid " " and resid 402 and name H )) ( segid " " and resid 402 and name HG2%) 2.600 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.41772E-02 ppm1 8.632 ppm2 0.729 CV 1 OR { 260} (( segid " " and resid 402 and name H )) ( segid " " and resid 402 and name HD1%) ASSI { 265} (( segid " " and resid 432 and name H )) (( segid " " and resid 431 and name HB2 )) 2.800 1.000 1.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.16698E-02 ppm1 8.370 ppm2 2.191 CV 1 OR { 265} (( segid " " and resid 432 and name H )) (( segid " " and resid 431 and name HB3 )) ASSI { 266} (( segid " " and resid 432 and name H )) (( segid " " and resid 432 and name HB )) 2.600 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.47834E-02 ppm1 8.373 ppm2 2.063 CV 1 ASSI { 273} (( segid " " and resid 407 and name H )) (( segid " " and resid 406 and name HA )) 3.700 1.700 1.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.42543E-03 ppm1 7.949 ppm2 3.861 CV 1 ASSI { 275} (( segid " " and resid 407 and name H )) (( segid " " and resid 406 and name HG3 )) 6.000 4.500 0.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.95724E-04 ppm1 7.946 ppm2 2.498 CV 1 ASSI { 276} (( segid " " and resid 439 and name H )) (( segid " " and resid 437 and name HA )) 4.800 2.900 1.200 peak 276 spectrum 1 weight 0.10000E+01 volume 0.10902E-03 ppm1 8.522 ppm2 3.736 CV 1 ASSI { 282} (( segid " " and resid 439 and name H )) (( segid " " and resid 442 and name HD3 )) 4.200 2.200 1.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.29514E-03 ppm1 8.523 ppm2 1.615 CV 1 OR { 282} (( segid " " and resid 439 and name H )) (( segid " " and resid 442 and name HD2 )) ASSI { 291} (( segid " " and resid 406 and name H )) (( segid " " and resid 406 and name HB2 )) 2.600 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.37651E-02 ppm1 9.023 ppm2 2.160 CV 1 OR { 291} (( segid " " and resid 406 and name H )) (( segid " " and resid 406 and name HB3 )) ASSI { 292} (( segid " " and resid 406 and name H )) (( segid " " and resid 406 and name HG2 )) 2.800 1.000 1.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 9.019 ppm2 1.894 CV 1 ASSI { 294} (( segid " " and resid 420 and name H )) (( segid " " and resid 421 and name H )) 5.000 3.100 1.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.21537E-03 ppm1 7.626 ppm2 8.375 CV 1 ASSI { 302} (( segid " " and resid 420 and name H )) ( segid " " and resid 420 and name HG2%) 3.500 1.600 1.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.15342E-02 ppm1 7.629 ppm2 0.815 CV 1 ASSI { 307} (( segid " " and resid 431 and name H )) ( segid " " and resid 432 and name HG2%) 4.700 2.800 1.300 peak 307 spectrum 1 weight 0.10000E+01 volume 0.29780E-03 ppm1 7.931 ppm2 1.027 CV 1 OR { 307} (( segid " " and resid 431 and name H )) ( segid " " and resid 432 and name HG1%) ASSI { 309} (( segid " " and resid 415 and name H )) (( segid " " and resid 414 and name HA )) 3.400 1.500 1.500 peak 309 spectrum 1 weight 0.10000E+01 volume 0.84555E-03 ppm1 7.918 ppm2 3.986 CV 1 ASSI { 313} (( segid " " and resid 415 and name H )) (( segid " " and resid 414 and name HG2 )) 4.400 2.400 1.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.28717E-03 ppm1 7.921 ppm2 1.735 CV 1 ASSI { 314} (( segid " " and resid 431 and name H )) (( segid " " and resid 429 and name HB2 )) 4.200 2.200 1.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.26855E-03 ppm1 7.938 ppm2 1.713 CV 1 ASSI { 321} (( segid " " and resid 426 and name H )) (( segid " " and resid 424 and name H )) 4.400 2.500 1.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.18081E-03 ppm1 7.979 ppm2 8.283 CV 1 ASSI { 325} (( segid " " and resid 400 and name H )) (( segid " " and resid 400 and name HB2 )) 2.600 0.800 0.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.31960E-02 ppm1 7.940 ppm2 2.025 CV 1 ASSI { 326} (( segid " " and resid 400 and name H )) (( segid " " and resid 399 and name HB2 )) 2.600 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.27068E-02 ppm1 7.941 ppm2 1.833 CV 1 OR { 326} (( segid " " and resid 400 and name H )) (( segid " " and resid 399 and name HB3 )) ASSI { 327} (( segid " " and resid 400 and name H )) (( segid " " and resid 399 and name HD3 )) 3.000 3.000 3.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.72857E-03 ppm1 7.939 ppm2 1.606 CV 1 OR { 327} (( segid " " and resid 400 and name H )) (( segid " " and resid 399 and name HD2 )) ASSI { 329} (( segid " " and resid 426 and name H )) (( segid " " and resid 424 and name HA )) 4.500 2.500 1.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.16220E-03 ppm1 7.984 ppm2 4.253 CV 1 ASSI { 330} (( segid " " and resid 426 and name H )) (( segid " " and resid 423 and name HA )) 3.200 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.10210E-02 ppm1 7.983 ppm2 4.047 CV 1 ASSI { 332} (( segid " " and resid 426 and name H )) (( segid " " and resid 426 and name HA )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 7.983 ppm2 3.704 CV 1 ASSI { 333} (( segid " " and resid 426 and name H )) (( segid " " and resid 426 and name HG3 )) 3.800 1.800 1.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.17443E-02 ppm1 7.982 ppm2 2.229 CV 1 OR { 333} (( segid " " and resid 426 and name H )) (( segid " " and resid 426 and name HG2 )) ASSI { 334} (( segid " " and resid 426 and name H )) (( segid " " and resid 428 and name HB3 )) 3.100 1.200 1.200 peak 334 spectrum 1 weight 0.10000E+01 volume 0.28424E-02 ppm1 7.982 ppm2 1.881 CV 1 OR { 334} (( segid " " and resid 426 and name H )) (( segid " " and resid 428 and name HB2 )) ASSI { 335} (( segid " " and resid 426 and name H )) (( segid " " and resid 425 and name HB3 )) 3.600 1.600 1.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.96786E-03 ppm1 7.983 ppm2 1.659 CV 1 ASSI { 337} (( segid " " and resid 428 and name H )) (( segid " " and resid 424 and name HA )) 4.700 2.800 1.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.13029E-03 ppm1 7.672 ppm2 4.244 CV 1 ASSI { 338} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HA )) 2.700 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 7.673 ppm2 4.076 CV 1 ASSI { 339} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name HA )) 3.000 1.100 1.100 peak 339 spectrum 1 weight 0.10000E+01 volume 0.16485E-02 ppm1 7.675 ppm2 3.936 CV 1 ASSI { 340} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name HB2 )) 3.100 1.200 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.14864E-02 ppm1 7.674 ppm2 2.030 CV 1 OR { 340} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name HB3 )) ASSI { 341} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HB3 )) 2.300 0.700 0.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.50546E-02 ppm1 7.673 ppm2 1.886 CV 1 OR { 341} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HB2 )) ASSI { 342} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HG3 )) 3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.18267E-02 ppm1 7.673 ppm2 1.699 CV 1 OR { 342} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HG2 )) ASSI { 343} (( segid " " and resid 416 and name H )) (( segid " " and resid 415 and name H )) 2.700 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.25047E-02 ppm1 7.759 ppm2 7.906 CV 1 ASSI { 347} (( segid " " and resid 416 and name H )) (( segid " " and resid 412 and name HB2 )) 4.400 2.400 1.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.37225E-03 ppm1 7.753 ppm2 1.875 CV 1 OR { 347} (( segid " " and resid 416 and name H )) (( segid " " and resid 412 and name HB3 )) ASSI { 356} (( segid " " and resid 416 and name H )) (( segid " " and resid 414 and name HA )) 4.200 2.200 1.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.23133E-03 ppm1 7.756 ppm2 3.980 CV 1 ASSI { 360} (( segid " " and resid 404 and name H )) (( segid " " and resid 406 and name H )) 5.600 3.900 0.400 peak 360 spectrum 1 weight 0.10000E+01 volume 0.58498E-04 ppm1 7.909 ppm2 9.024 CV 1 ASSI { 366} (( segid " " and resid 404 and name H )) (( segid " " and resid 403 and name HB3 )) 2.500 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.32705E-02 ppm1 7.909 ppm2 1.899 CV 1 OR { 366} (( segid " " and resid 404 and name H )) (( segid " " and resid 403 and name HB2 )) ASSI { 367} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HG2 )) 3.000 1.200 1.200 peak 367 spectrum 1 weight 0.10000E+01 volume 0.93860E-03 ppm1 7.909 ppm2 1.755 CV 1 ASSI { 369} (( segid " " and resid 404 and name H )) (( segid " " and resid 405 and name HG3 )) 4.700 2.800 1.300 peak 369 spectrum 1 weight 0.10000E+01 volume 0.23931E-03 ppm1 7.908 ppm2 2.151 CV 1 ASSI { 370} (( segid " " and resid 404 and name H )) ( segid " " and resid 402 and name HG2%) 6.000 4.800 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.63816E-04 ppm1 7.908 ppm2 0.780 CV 1 ASSI { 372} (( segid " " and resid 414 and name H )) (( segid " " and resid 412 and name H )) 4.900 3.100 1.100 peak 372 spectrum 1 weight 0.10000E+01 volume 0.15422E-03 ppm1 7.840 ppm2 8.152 CV 1 ASSI { 376} (( segid " " and resid 414 and name H )) (( segid " " and resid 413 and name HB3 )) 3.300 1.400 1.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.94927E-03 ppm1 7.841 ppm2 3.122 CV 1 OR { 376} (( segid " " and resid 414 and name H )) (( segid " " and resid 413 and name HB2 )) ASSI { 382} (( segid " " and resid 405 and name H )) (( segid " " and resid 404 and name HA )) 3.300 1.300 1.300 peak 382 spectrum 1 weight 0.10000E+01 volume 0.12019E-02 ppm1 8.447 ppm2 4.024 CV 1 ASSI { 386} (( segid " " and resid 405 and name H )) ( segid " " and resid 402 and name HG2%) 4.900 3.000 1.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.22069E-03 ppm1 8.453 ppm2 0.761 CV 1 OR { 386} (( segid " " and resid 405 and name H )) (( segid " " and resid 402 and name HG13)) ASSI { 390} (( segid " " and resid 399 and name H )) (( segid " " and resid 396 and name HA )) 3.600 1.600 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.82691E-03 ppm1 8.233 ppm2 4.004 CV 1 ASSI { 392} (( segid " " and resid 399 and name H )) (( segid " " and resid 395 and name HB3 )) 3.800 1.800 1.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.18613E-03 ppm1 8.236 ppm2 2.056 CV 1 OR { 392} (( segid " " and resid 399 and name H )) (( segid " " and resid 395 and name HB2 )) ASSI { 393} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HB3 )) 2.300 0.700 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.51849E-02 ppm1 8.232 ppm2 1.819 CV 1 OR { 393} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HB2 )) ASSI { 394} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HD3 )) 2.900 1.000 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.31295E-02 ppm1 8.233 ppm2 1.609 CV 1 OR { 394} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HD2 )) ASSI { 395} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HG3 )) 3.900 1.900 1.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.71791E-03 ppm1 8.235 ppm2 1.351 CV 1 OR { 395} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HG2 )) ASSI { 396} (( segid " " and resid 399 and name H )) ( segid " " and resid 398 and name HD1%) 3.900 1.900 1.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.49190E-03 ppm1 8.238 ppm2 0.722 CV 1 ASSI { 401} (( segid " " and resid 403 and name H )) (( segid " " and resid 401 and name HB2 )) 4.900 3.000 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.21006E-03 ppm1 7.693 ppm2 2.101 CV 1 OR { 401} (( segid " " and resid 403 and name H )) (( segid " " and resid 401 and name HB3 )) ASSI { 402} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HD3 )) 5.200 3.400 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.20474E-03 ppm1 7.692 ppm2 3.168 CV 1 OR { 402} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HD2 )) ASSI { 407} (( segid " " and resid 442 and name H )) (( segid " " and resid 439 and name HA )) 3.700 1.700 1.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.36428E-03 ppm1 7.691 ppm2 3.920 CV 1 ASSI { 408} (( segid " " and resid 442 and name H )) (( segid " " and resid 440 and name HA )) 4.400 2.400 1.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.23133E-03 ppm1 7.688 ppm2 3.769 CV 1 ASSI { 409} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HB3 )) 3.100 1.200 1.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.20766E-02 ppm1 7.688 ppm2 1.959 CV 1 ASSI { 415} (( segid " " and resid 443 and name H )) (( segid " " and resid 443 and name HB2 )) 2.200 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.82744E-02 ppm1 7.642 ppm2 1.636 CV 1 OR { 415} (( segid " " and resid 443 and name H )) (( segid " " and resid 443 and name HB3 )) ASSI { 416} (( segid " " and resid 443 and name H )) ( segid " " and resid 443 and name HD1%) 3.600 1.700 1.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.12842E-02 ppm1 7.642 ppm2 0.837 CV 1 ASSI { 417} (( segid " " and resid 441 and name H )) (( segid " " and resid 439 and name H )) 5.300 3.600 0.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.50520E-04 ppm1 7.573 ppm2 8.543 CV 1 ASSI { 422} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HB3 )) 2.600 0.800 0.800 peak 422 spectrum 1 weight 0.10000E+01 volume 0.30604E-02 ppm1 7.571 ppm2 1.864 CV 1 OR { 422} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HB2 )) ASSI { 424} (( segid " " and resid 441 and name H )) (( segid " " and resid 442 and name HG3 )) 6.000 5.200 0.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.53179E-04 ppm1 7.568 ppm2 1.424 CV 1 OR { 424} (( segid " " and resid 441 and name H )) (( segid " " and resid 442 and name HG2 )) ASSI { 425} (( segid " " and resid 430 and name H )) (( segid " " and resid 432 and name H )) 4.800 2.900 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.13826E-03 ppm1 7.810 ppm2 8.364 CV 1 ASSI { 432} (( segid " " and resid 430 and name H )) (( segid " " and resid 433 and name HB2 )) 4.500 2.500 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.23931E-03 ppm1 7.812 ppm2 2.201 CV 1 ASSI { 434} (( segid " " and resid 430 and name H )) (( segid " " and resid 428 and name HB3 )) 5.400 3.700 0.600 peak 434 spectrum 1 weight 0.10000E+01 volume 0.11167E-03 ppm1 7.810 ppm2 1.887 CV 1 OR { 434} (( segid " " and resid 430 and name H )) (( segid " " and resid 428 and name HB2 )) ASSI { 438} (( segid " " and resid 444 and name H )) (( segid " " and resid 445 and name H )) 2.300 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.52700E-02 ppm1 7.723 ppm2 7.869 CV 1 ASSI { 439} (( segid " " and resid 444 and name H )) (( segid " " and resid 443 and name H )) 2.400 0.700 0.700 peak 439 spectrum 1 weight 0.10000E+01 volume 0.39459E-02 ppm1 7.723 ppm2 7.612 CV 1 ASSI { 440} (( segid " " and resid 444 and name H )) (( segid " " and resid 441 and name HA )) 3.500 1.500 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.59296E-03 ppm1 7.721 ppm2 4.015 CV 1 ASSI { 443} (( segid " " and resid 444 and name H )) ( segid " " and resid 443 and name HD2%) 3.200 1.300 1.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.47329E-03 ppm1 7.725 ppm2 0.817 CV 1 OR { 443} (( segid " " and resid 444 and name H )) ( segid " " and resid 443 and name HD1%) ASSI { 444} (( segid " " and resid 433 and name H )) (( segid " " and resid 436 and name H )) 5.400 3.600 0.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.69134E-04 ppm1 8.345 ppm2 8.643 CV 1 ASSI { 448} (( segid " " and resid 433 and name H )) (( segid " " and resid 429 and name HA )) 4.000 2.000 2.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.28185E-03 ppm1 8.338 ppm2 3.770 CV 1 ASSI { 453} (( segid " " and resid 433 and name H )) (( segid " " and resid 436 and name HB2 )) 5.100 3.200 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.16751E-03 ppm1 8.337 ppm2 1.783 CV 1 OR { 453} (( segid " " and resid 433 and name H )) (( segid " " and resid 436 and name HB3 )) ASSI { 455} (( segid " " and resid 433 and name H )) (( segid " " and resid 434 and name HG2 )) 5.400 3.700 0.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.69134E-04 ppm1 8.337 ppm2 1.424 CV 1 ASSI { 458} (( segid " " and resid 433 and name H )) ( segid " " and resid 429 and name HD1%) 4.900 3.000 1.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.14358E-03 ppm1 8.338 ppm2 0.606 CV 1 ASSI { 460} (( segid " " and resid 427 and name H )) (( segid " " and resid 424 and name HA )) 3.400 1.500 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.66472E-03 ppm1 7.985 ppm2 4.244 CV 1 ASSI { 461} (( segid " " and resid 427 and name H )) (( segid " " and resid 427 and name HA )) 2.700 0.900 0.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 7.985 ppm2 3.925 CV 1 ASSI { 462} (( segid " " and resid 427 and name H )) (( segid " " and resid 426 and name HA )) 3.600 1.600 1.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.69662E-03 ppm1 7.984 ppm2 3.708 CV 1 ASSI { 466} (( segid " " and resid 427 and name H )) (( segid " " and resid 428 and name HB3 )) 3.800 1.800 1.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.12842E-02 ppm1 7.984 ppm2 1.890 CV 1 OR { 466} (( segid " " and resid 427 and name H )) (( segid " " and resid 428 and name HB2 )) ASSI { 467} (( segid " " and resid 427 and name H )) (( segid " " and resid 425 and name HB3 )) 4.600 2.600 1.400 peak 467 spectrum 1 weight 0.10000E+01 volume 0.37491E-03 ppm1 7.985 ppm2 1.658 CV 1 ASSI { 469} (( segid " " and resid 440 and name H )) (( segid " " and resid 442 and name H )) 4.600 2.600 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.22601E-03 ppm1 8.242 ppm2 7.671 CV 1 ASSI { 471} (( segid " " and resid 440 and name H )) (( segid " " and resid 438 and name HA )) 5.400 3.600 0.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.85088E-04 ppm1 8.241 ppm2 4.056 CV 1 ASSI { 474} (( segid " " and resid 440 and name H )) (( segid " " and resid 439 and name HB2 )) 2.900 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.11274E-02 ppm1 8.243 ppm2 1.908 CV 1 OR { 474} (( segid " " and resid 440 and name H )) (( segid " " and resid 439 and name HB3 )) ASSI { 475} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HB3 )) 2.500 0.800 0.800 peak 475 spectrum 1 weight 0.10000E+01 volume 0.30365E-02 ppm1 8.243 ppm2 1.815 CV 1 OR { 475} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HB2 )) ASSI { 476} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HD2 )) 3.400 1.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.22920E-02 ppm1 8.243 ppm2 1.607 CV 1 OR { 476} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HD3 )) ASSI { 477} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HG3 )) 3.300 1.300 1.300 peak 477 spectrum 1 weight 0.10000E+01 volume 0.47329E-03 ppm1 8.242 ppm2 1.355 CV 1 OR { 477} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HG2 )) ASSI { 485} (( segid " " and resid 413 and name H )) (( segid " " and resid 413 and name HB2 )) 2.500 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.34938E-02 ppm1 8.324 ppm2 3.156 CV 1 OR { 485} (( segid " " and resid 413 and name H )) (( segid " " and resid 413 and name HB3 )) ASSI { 488} (( segid " " and resid 413 and name H )) ( segid " " and resid 412 and name HD1%) 3.600 1.600 1.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.37757E-03 ppm1 8.320 ppm2 0.810 CV 1 ASSI { 490} (( segid " " and resid 411 and name H )) (( segid " " and resid 409 and name H )) 5.700 4.100 0.300 peak 490 spectrum 1 weight 0.10000E+01 volume 0.39884E-04 ppm1 7.870 ppm2 8.711 CV 1 ASSI { 495} (( segid " " and resid 411 and name H )) (( segid " " and resid 410 and name HB3 )) 3.600 1.600 1.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.63547E-03 ppm1 7.871 ppm2 2.720 CV 1 OR { 495} (( segid " " and resid 411 and name H )) (( segid " " and resid 410 and name HB2 )) ASSI { 497} (( segid " " and resid 411 and name H )) (( segid " " and resid 408 and name HB2 )) 5.500 3.800 0.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.98381E-04 ppm1 7.872 ppm2 1.756 CV 1 OR { 497} (( segid " " and resid 411 and name H )) (( segid " " and resid 408 and name HB3 )) ASSI { 504} (( segid " " and resid 410 and name H )) (( segid " " and resid 410 and name HB3 )) 2.600 0.800 0.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.31827E-02 ppm1 8.122 ppm2 2.739 CV 1 OR { 504} (( segid " " and resid 410 and name H )) (( segid " " and resid 410 and name HB2 )) ASSI { 507} (( segid " " and resid 410 and name H )) ( segid " " and resid 409 and name HD2%) 4.400 2.400 1.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.35098E-03 ppm1 8.118 ppm2 0.812 CV 1 OR { 507} (( segid " " and resid 410 and name H )) ( segid " " and resid 409 and name HD1%) ASSI { 515} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HG )) 3.100 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.97050E-03 ppm1 8.275 ppm2 1.615 CV 1 ASSI { 517} (( segid " " and resid 424 and name H )) (( segid " " and resid 422 and name HA )) 4.500 2.600 1.500 peak 517 spectrum 1 weight 0.10000E+01 volume 0.45999E-03 ppm1 8.295 ppm2 4.570 CV 1 ASSI { 521} (( segid " " and resid 424 and name H )) (( segid " " and resid 423 and name HB3 )) 3.000 1.100 1.100 peak 521 spectrum 1 weight 0.10000E+01 volume 0.17602E-02 ppm1 8.295 ppm2 1.628 CV 1 OR { 521} (( segid " " and resid 424 and name H )) (( segid " " and resid 423 and name HB2 )) ASSI { 525} (( segid " " and resid 394 and name H )) (( segid " " and resid 393 and name HB2 )) 6.000 4.500 0.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.53179E-04 ppm1 8.148 ppm2 1.921 CV 1 ASSI { 527} (( segid " " and resid 410 and name HD22)) (( segid " " and resid 410 and name HD21)) 1.500 0.300 0.700 peak 527 spectrum 1 weight 0.10000E+01 volume 0.54597E-01 ppm1 7.509 ppm2 6.908 CV 1 ASSI { 528} (( segid " " and resid 410 and name HD22)) (( segid " " and resid 410 and name HB2 )) 3.800 1.800 1.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.12922E-02 ppm1 7.509 ppm2 2.730 CV 1 OR { 528} (( segid " " and resid 410 and name HD22)) (( segid " " and resid 410 and name HB3 )) ASSI { 530} (( segid " " and resid 410 and name HD21)) (( segid " " and resid 410 and name HB2 )) 3.500 1.500 1.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.53710E-03 ppm1 6.905 ppm2 2.717 CV 1 OR { 530} (( segid " " and resid 410 and name HD21)) (( segid " " and resid 410 and name HB3 )) ASSI { 531} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 395 and name HE21)) 1.500 0.300 0.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.41727E-01 ppm1 7.633 ppm2 6.895 CV 1 ASSI { 533} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 395 and name HB2 )) 4.800 2.800 1.200 peak 533 spectrum 1 weight 0.10000E+01 volume 0.36959E-03 ppm1 7.635 ppm2 2.036 CV 1 OR { 533} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 395 and name HB3 )) ASSI { 534} (( segid " " and resid 395 and name HE22)) ( segid " " and resid 398 and name HD1%) 4.500 2.500 1.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.34832E-03 ppm1 7.634 ppm2 0.717 CV 1 ASSI { 537} (( segid " " and resid 395 and name HE21)) ( segid " " and resid 398 and name HD1%) 4.700 2.800 1.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.21006E-03 ppm1 6.899 ppm2 0.734 CV 1 ASSI { 538} (( segid " " and resid 417 and name HE21)) (( segid " " and resid 417 and name HE22)) 1.400 0.200 0.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.77949E-01 ppm1 7.349 ppm2 6.744 CV 1 ASSI { 541} (( segid " " and resid 433 and name HE22)) (( segid " " and resid 433 and name HE21)) 1.500 0.300 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.39142E-01 ppm1 7.049 ppm2 6.719 CV 1 ASSI { 550} (( segid " " and resid 446 and name H )) (( segid " " and resid 445 and name HB3 )) 4.000 2.000 2.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.68067E-03 ppm1 7.643 ppm2 1.872 CV 1 ASSI { 553} (( segid " " and resid 446 and name H )) ( segid " " and resid 443 and name HD2%) 3.900 1.900 1.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.14624E-03 ppm1 7.636 ppm2 0.827 CV 1 OR { 553} (( segid " " and resid 446 and name H )) ( segid " " and resid 443 and name HD1%) ASSI { 555} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 430 and name HB2 )) 5.300 3.500 0.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.12497E-03 ppm1 10.133 ppm2 3.340 CV 1 OR { 555} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 430 and name HB3 )) ASSI { 557} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 433 and name HB3 )) 4.700 2.700 1.300 peak 557 spectrum 1 weight 0.10000E+01 volume 0.21803E-03 ppm1 10.135 ppm2 2.025 CV 1 ASSI { 560} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HA )) 2.700 0.900 0.900 peak 560 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 7.688 ppm2 4.045 CV 1 ASSI { 561} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HB3 )) 2.200 0.600 0.600 peak 561 spectrum 1 weight 0.10000E+01 volume 0.77453E-02 ppm1 7.688 ppm2 1.889 CV 1 OR { 561} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HB2 )) ASSI { 562} (( segid " " and resid 439 and name H )) ( segid " " and resid 439 and name HD2%) 4.700 2.700 1.300 peak 562 spectrum 1 weight 0.10000E+01 volume 0.54242E-03 ppm1 8.522 ppm2 0.756 CV 1 ASSI { 563} (( segid " " and resid 429 and name H )) (( segid " " and resid 426 and name HA )) 3.800 1.800 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.47329E-03 ppm1 7.986 ppm2 3.684 CV 1 ASSI { 564} (( segid " " and resid 417 and name H )) (( segid " " and resid 415 and name HA )) 4.400 2.400 1.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.20208E-03 ppm1 7.788 ppm2 4.410 CV 1 ASSI { 565} (( segid " " and resid 417 and name H )) (( segid " " and resid 416 and name HB2 )) 3.500 1.500 1.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.68601E-03 ppm1 7.794 ppm2 1.677 CV 1 OR { 565} (( segid " " and resid 417 and name H )) (( segid " " and resid 416 and name HB3 )) ASSI { 569} (( segid " " and resid 403 and name H )) (( segid " " and resid 404 and name HG3 )) 4.000 2.000 2.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.95724E-03 ppm1 7.693 ppm2 1.531 CV 1 ASSI { 571} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 395 and name HB2 )) 5.700 4.100 0.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.79770E-04 ppm1 6.894 ppm2 2.020 CV 1 OR { 571} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 395 and name HB3 )) ASSI { 572} (( segid " " and resid 405 and name H )) (( segid " " and resid 405 and name HE22)) 6.000 5.000 0.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.90406E-04 ppm1 8.455 ppm2 7.298 CV 1 ASSI { 1} (( segid " " and resid 434 and name H )) (( segid " " and resid 435 and name HA )) 4.000 2.000 2.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.79619E-03 ppm1 7.936 ppm2 3.690 CV 1 OR { 1} (( segid " " and resid 407 and name H )) (( segid " " and resid 409 and name HA )) OR { 1} (( segid " " and resid 415 and name H )) (( segid " " and resid 409 and name HA )) ASSI { 3} (( segid " " and resid 446 and name H )) (( segid " " and resid 445 and name HA )) 2.500 0.800 0.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.56294E-02 ppm1 7.641 ppm2 4.228 CV 1 OR { 3} (( segid " " and resid 446 and name H )) (( segid " " and resid 444 and name HA )) ASSI { 4} (( segid " " and resid 440 and name HE3 )) (( segid " " and resid 440 and name HB2 )) 3.300 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.16919E-02 ppm1 2.870 ppm2 1.816 CV 1 OR { 4} (( segid " " and resid 440 and name HE3 )) (( segid " " and resid 440 and name HB3 )) OR { 4} (( segid " " and resid 440 and name HE2 )) (( segid " " and resid 440 and name HB2 )) OR { 4} (( segid " " and resid 425 and name HE2 )) (( segid " " and resid 412 and name HB2 )) OR { 4} (( segid " " and resid 440 and name HE2 )) (( segid " " and resid 440 and name HB3 )) OR { 4} (( segid " " and resid 425 and name HE3 )) (( segid " " and resid 412 and name HB2 )) OR { 4} (( segid " " and resid 425 and name HE2 )) (( segid " " and resid 425 and name HB2 )) OR { 4} (( segid " " and resid 425 and name HE3 )) (( segid " " and resid 412 and name HB3 )) OR { 4} (( segid " " and resid 425 and name HE3 )) (( segid " " and resid 425 and name HB2 )) ASSI { 5} (( segid " " and resid 445 and name HA )) (( segid " " and resid 445 and name HG3 )) 3.500 1.500 1.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.14182E-02 ppm1 4.231 ppm2 2.278 CV 1 OR { 5} (( segid " " and resid 424 and name HA )) (( segid " " and resid 427 and name HG3 )) ASSI { 7} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HB3 )) 2.100 0.600 0.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.10518E-01 ppm1 7.573 ppm2 1.844 CV 1 OR { 7} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HB2 )) OR { 7} (( segid " " and resid 441 and name H )) (( segid " " and resid 440 and name HB2 )) ASSI { 8} (( segid " " and resid 438 and name H )) ( segid " " and resid 435 and name HG2%) 3.700 1.700 1.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.10077E-02 ppm1 7.573 ppm2 0.848 CV 1 OR { 8} (( segid " " and resid 441 and name H )) ( segid " " and resid 398 and name HG2%) OR { 8} (( segid " " and resid 441 and name H )) ( segid " " and resid 439 and name HD1%) OR { 8} (( segid " " and resid 438 and name H )) ( segid " " and resid 436 and name HD1%) OR { 8} (( segid " " and resid 438 and name H )) ( segid " " and resid 439 and name HD1%) ASSI { 9} (( segid " " and resid 441 and name H )) ( segid " " and resid 438 and name HB% ) 3.400 1.400 1.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.22019E-02 ppm1 7.579 ppm2 1.458 CV 1 OR { 9} (( segid " " and resid 441 and name H )) (( segid " " and resid 442 and name HG3 )) OR { 9} (( segid " " and resid 441 and name H )) (( segid " " and resid 442 and name HG2 )) ASSI { 10} (( segid " " and resid 397 and name H )) (( segid " " and resid 397 and name HA3 )) 2.200 0.600 0.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.86834E-02 ppm1 8.242 ppm2 3.947 CV 1 OR { 10} (( segid " " and resid 396 and name H )) (( segid " " and resid 396 and name HA )) OR { 10} (( segid " " and resid 399 and name H )) (( segid " " and resid 396 and name HA )) OR { 10} (( segid " " and resid 397 and name H )) (( segid " " and resid 396 and name HA )) OR { 10} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HA )) OR { 10} (( segid " " and resid 396 and name H )) (( segid " " and resid 395 and name HA )) OR { 10} (( segid " " and resid 440 and name H )) (( segid " " and resid 439 and name HA )) ASSI { 11} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HB3 )) 1.800 0.400 0.400 peak 11 spectrum 1 weight 0.10000E+01 volume 0.25571E-01 ppm1 8.239 ppm2 1.811 CV 1 OR { 11} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HB3 )) OR { 11} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HB2 )) OR { 11} (( segid " " and resid 440 and name H )) (( segid " " and resid 398 and name HB )) OR { 11} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HB2 )) OR { 11} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HB3 )) OR { 11} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HB2 )) ASSI { 12} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HG )) 2.100 0.500 0.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.16328E-01 ppm1 8.239 ppm2 1.604 CV 1 OR { 12} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HD3 )) OR { 12} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HD2 )) OR { 12} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HD2 )) OR { 12} (( segid " " and resid 440 and name H )) (( segid " " and resid 441 and name HG2 )) OR { 12} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HD3 )) ASSI { 13} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HG3 )) 1.800 0.400 0.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.25198E-01 ppm1 8.249 ppm2 1.378 CV 1 OR { 13} (( segid " " and resid 396 and name H )) ( segid " " and resid 396 and name HB% ) OR { 13} (( segid " " and resid 397 and name H )) ( segid " " and resid 396 and name HB% ) OR { 13} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HG2 )) ASSI { 14} (( segid " " and resid 399 and name H )) ( segid " " and resid 398 and name HG2%) 2.400 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.66246E-02 ppm1 8.238 ppm2 0.848 CV 1 OR { 14} (( segid " " and resid 437 and name H )) ( segid " " and resid 436 and name HD2%) OR { 14} (( segid " " and resid 440 and name H )) ( segid " " and resid 398 and name HG2%) OR { 14} (( segid " " and resid 397 and name H )) ( segid " " and resid 398 and name HG2%) OR { 14} (( segid " " and resid 437 and name H )) ( segid " " and resid 436 and name HD1%) ASSI { 15} (( segid " " and resid 399 and name H )) ( segid " " and resid 398 and name HD1%) 3.000 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.34025E-02 ppm1 8.240 ppm2 0.721 CV 1 OR { 15} (( segid " " and resid 440 and name H )) ( segid " " and resid 398 and name HD1%) ASSI { 16} (( segid " " and resid 440 and name HA )) (( segid " " and resid 443 and name HB2 )) 2.200 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.10182E-01 ppm1 3.780 ppm2 1.622 CV 1 OR { 16} (( segid " " and resid 440 and name HA )) (( segid " " and resid 443 and name HB3 )) OR { 16} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HD3 )) OR { 16} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HD2 )) ASSI { 17} (( segid " " and resid 439 and name H )) ( segid " " and resid 439 and name HD1%) 3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.38690E-02 ppm1 8.524 ppm2 0.841 CV 1 OR { 17} (( segid " " and resid 439 and name H )) ( segid " " and resid 435 and name HG2%) ASSI { 19} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name HB2 )) 3.000 1.200 1.200 peak 19 spectrum 1 weight 0.10000E+01 volume 0.21770E-02 ppm1 7.637 ppm2 2.039 CV 1 OR { 19} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 395 and name HB2 )) OR { 19} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 395 and name HB3 )) OR { 19} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name HB3 )) OR { 19} (( segid " " and resid 446 and name H )) (( segid " " and resid 445 and name HB2 )) ASSI { 20} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HB3 )) 2.500 0.800 0.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.45469E-02 ppm1 7.646 ppm2 1.889 CV 1 OR { 20} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HB2 )) OR { 20} (( segid " " and resid 446 and name H )) (( segid " " and resid 445 and name HB3 )) OR { 20} (( segid " " and resid 443 and name H )) (( segid " " and resid 442 and name HB2 )) OR { 20} (( segid " " and resid 428 and name H )) (( segid " " and resid 426 and name HB2 )) OR { 20} (( segid " " and resid 443 and name H )) (( segid " " and resid 441 and name HB2 )) OR { 20} (( segid " " and resid 428 and name H )) (( segid " " and resid 426 and name HB3 )) ASSI { 21} (( segid " " and resid 436 and name H )) (( segid " " and resid 436 and name HG )) 2.200 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.78994E-02 ppm1 8.642 ppm2 1.628 CV 1 OR { 21} (( segid " " and resid 423 and name H )) (( segid " " and resid 423 and name HB3 )) OR { 21} (( segid " " and resid 423 and name H )) (( segid " " and resid 423 and name HB2 )) ASSI { 23} (( segid " " and resid 434 and name H )) (( segid " " and resid 435 and name HG13)) 3.200 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.23450E-02 ppm1 7.936 ppm2 1.028 CV 1 OR { 23} (( segid " " and resid 431 and name H )) ( segid " " and resid 432 and name HG2%) OR { 23} (( segid " " and resid 431 and name H )) ( segid " " and resid 432 and name HG1%) ASSI { 24} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HB2 )) 2.200 0.600 0.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.70411E-02 ppm1 7.941 ppm2 2.030 CV 1 OR { 24} (( segid " " and resid 400 and name H )) (( segid " " and resid 400 and name HB2 )) OR { 24} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HB3 )) OR { 24} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name HB3 )) ASSI { 25} (( segid " " and resid 434 and name H )) (( segid " " and resid 434 and name HA )) 2.200 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.91996E-02 ppm1 7.935 ppm2 3.927 CV 1 OR { 25} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name HA )) ASSI { 26} (( segid " " and resid 415 and name H )) (( segid " " and resid 415 and name HA )) 2.800 1.000 1.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.26995E-02 ppm1 7.936 ppm2 4.445 CV 1 OR { 26} (( segid " " and resid 431 and name H )) (( segid " " and resid 430 and name HA )) ASSI { 27} (( segid " " and resid 430 and name H )) (( segid " " and resid 431 and name HB2 )) 3.700 1.700 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 7.813 ppm2 2.193 CV 1 OR { 27} (( segid " " and resid 430 and name H )) (( segid " " and resid 431 and name HB3 )) OR { 27} (( segid " " and resid 430 and name H )) (( segid " " and resid 433 and name HB2 )) OR { 27} (( segid " " and resid 430 and name H )) (( segid " " and resid 426 and name HG3 )) ASSI { 30} (( segid " " and resid 396 and name H )) (( segid " " and resid 396 and name HA )) 2.100 0.600 0.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.13168E-01 ppm1 8.248 ppm2 4.009 CV 1 OR { 30} (( segid " " and resid 399 and name H )) (( segid " " and resid 396 and name HA )) ASSI { 31} (( segid " " and resid 440 and name HA )) ( segid " " and resid 398 and name HG2%) 2.100 0.600 0.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.12558E-01 ppm1 3.786 ppm2 0.842 CV 1 OR { 31} (( segid " " and resid 409 and name HA )) ( segid " " and resid 412 and name HD1%) OR { 31} (( segid " " and resid 409 and name HA )) ( segid " " and resid 408 and name HD1%) OR { 31} (( segid " " and resid 429 and name HA )) ( segid " " and resid 409 and name HD1%) OR { 31} (( segid " " and resid 429 and name HA )) ( segid " " and resid 412 and name HD1%) OR { 31} (( segid " " and resid 409 and name HA )) ( segid " " and resid 409 and name HD1%) OR { 31} (( segid " " and resid 398 and name HA )) ( segid " " and resid 398 and name HG2%) OR { 31} (( segid " " and resid 437 and name HA )) ( segid " " and resid 436 and name HD1%) ASSI { 32} (( segid " " and resid 402 and name HB )) ( segid " " and resid 402 and name HG2%) 1.900 0.500 0.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.18978E-01 ppm1 1.865 ppm2 0.715 CV 1 OR { 32} (( segid " " and resid 412 and name HB3 )) ( segid " " and resid 412 and name HD2%) OR { 32} (( segid " " and resid 402 and name HB )) (( segid " " and resid 402 and name HG12)) OR { 32} (( segid " " and resid 439 and name HB3 )) ( segid " " and resid 439 and name HD2%) OR { 32} (( segid " " and resid 402 and name HB )) ( segid " " and resid 402 and name HD1%) OR { 32} (( segid " " and resid 402 and name HB )) ( segid " " and resid 398 and name HD1%) OR { 32} (( segid " " and resid 412 and name HB2 )) ( segid " " and resid 412 and name HD2%) OR { 32} (( segid " " and resid 402 and name HB )) (( segid " " and resid 402 and name HG13)) OR { 32} (( segid " " and resid 406 and name HG2 )) (( segid " " and resid 402 and name HG12)) OR { 32} (( segid " " and resid 439 and name HB2 )) ( segid " " and resid 439 and name HD2%) OR { 32} (( segid " " and resid 425 and name HB2 )) ( segid " " and resid 416 and name HD2%) ASSI { 33} (( segid " " and resid 409 and name HA )) ( segid " " and resid 412 and name HD2%) 2.100 0.600 0.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.10133E-01 ppm1 3.776 ppm2 0.703 CV 1 OR { 33} (( segid " " and resid 398 and name HA )) ( segid " " and resid 398 and name HD1%) OR { 33} (( segid " " and resid 398 and name HA )) ( segid " " and resid 439 and name HD2%) ASSI { 35} (( segid " " and resid 398 and name HA )) (( segid " " and resid 398 and name HG12)) 2.300 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.66305E-02 ppm1 3.778 ppm2 1.011 CV 1 OR { 35} (( segid " " and resid 429 and name HA )) ( segid " " and resid 432 and name HG2%) OR { 35} (( segid " " and resid 398 and name HA )) (( segid " " and resid 398 and name HG13)) OR { 35} (( segid " " and resid 440 and name HA )) (( segid " " and resid 398 and name HG13)) OR { 35} (( segid " " and resid 440 and name HA )) (( segid " " and resid 398 and name HG12)) ASSI { 39} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name HG2 )) 2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.67302E-02 ppm1 7.940 ppm2 2.285 CV 1 OR { 39} (( segid " " and resid 400 and name H )) (( segid " " and resid 400 and name HG2 )) OR { 39} (( segid " " and resid 400 and name H )) (( segid " " and resid 400 and name HG3 )) OR { 39} (( segid " " and resid 431 and name H )) (( segid " " and resid 431 and name HG3 )) OR { 39} (( segid " " and resid 431 and name H )) (( segid " " and resid 431 and name HG2 )) ASSI { 40} (( segid " " and resid 414 and name H )) ( segid " " and resid 412 and name HD1%) 3.400 1.500 1.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.15923E-02 ppm1 7.867 ppm2 0.843 CV 1 OR { 40} (( segid " " and resid 411 and name H )) ( segid " " and resid 408 and name HD1%) OR { 40} (( segid " " and resid 411 and name H )) ( segid " " and resid 412 and name HD1%) OR { 40} (( segid " " and resid 411 and name H )) ( segid " " and resid 409 and name HD2%) OR { 40} (( segid " " and resid 401 and name H )) ( segid " " and resid 398 and name HG2%) OR { 40} (( segid " " and resid 414 and name H )) ( segid " " and resid 416 and name HD1%) OR { 40} (( segid " " and resid 411 and name H )) ( segid " " and resid 409 and name HD1%) ASSI { 41} (( segid " " and resid 401 and name H )) ( segid " " and resid 402 and name HG2%) 3.600 1.600 1.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.13933E-02 ppm1 7.867 ppm2 0.772 CV 1 OR { 41} (( segid " " and resid 414 and name H )) ( segid " " and resid 412 and name HD1%) OR { 41} (( segid " " and resid 401 and name H )) ( segid " " and resid 398 and name HD1%) OR { 41} (( segid " " and resid 411 and name H )) ( segid " " and resid 412 and name HD1%) OR { 41} (( segid " " and resid 411 and name H )) ( segid " " and resid 409 and name HD2%) OR { 41} (( segid " " and resid 401 and name H )) ( segid " " and resid 402 and name HD1%) OR { 41} (( segid " " and resid 401 and name H )) (( segid " " and resid 402 and name HG13)) OR { 41} (( segid " " and resid 401 and name H )) ( segid " " and resid 439 and name HD2%) ASSI { 42} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HA )) 2.000 0.500 0.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.18213E-01 ppm1 7.692 ppm2 4.038 CV 1 OR { 42} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HA )) OR { 42} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HA )) OR { 42} (( segid " " and resid 442 and name H )) (( segid " " and resid 441 and name HA )) ASSI { 43} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HD3 )) 3.900 1.900 1.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.12316E-02 ppm1 7.693 ppm2 3.169 CV 1 OR { 43} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HD2 )) OR { 43} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HD3 )) OR { 43} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HD2 )) OR { 43} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HD3 )) OR { 43} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HE2 )) OR { 43} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HE3 )) OR { 43} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HD2 )) ASSI { 44} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HB3 )) 1.700 0.400 0.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.31611E-01 ppm1 7.691 ppm2 1.884 CV 1 OR { 44} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HB3 )) OR { 44} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HB2 )) OR { 44} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HB3 )) OR { 44} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HB2 )) OR { 44} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HB2 )) OR { 44} (( segid " " and resid 442 and name H )) (( segid " " and resid 441 and name HB2 )) OR { 44} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HB2 )) ASSI { 46} (( segid " " and resid 409 and name H )) (( segid " " and resid 409 and name HB2 )) 2.200 0.600 0.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.54489E-02 ppm1 8.702 ppm2 1.594 CV 1 OR { 46} (( segid " " and resid 409 and name H )) (( segid " " and resid 408 and name HG )) ASSI { 48} (( segid " " and resid 406 and name H )) ( segid " " and resid 408 and name HD1%) 3.700 1.700 1.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10761E-02 ppm1 9.023 ppm2 0.959 CV 1 OR { 48} (( segid " " and resid 406 and name H )) ( segid " " and resid 432 and name HG1%) OR { 48} (( segid " " and resid 406 and name H )) ( segid " " and resid 408 and name HD2%) OR { 48} (( segid " " and resid 406 and name H )) ( segid " " and resid 432 and name HG2%) ASSI { 49} (( segid " " and resid 436 and name H )) ( segid " " and resid 435 and name HG2%) 3.300 1.400 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.16670E-02 ppm1 8.651 ppm2 0.886 CV 1 OR { 49} (( segid " " and resid 436 and name H )) ( segid " " and resid 436 and name HD1%) OR { 49} (( segid " " and resid 436 and name H )) ( segid " " and resid 436 and name HD2%) ASSI { 50} (( segid " " and resid 436 and name H )) ( segid " " and resid 432 and name HG1%) 3.100 1.200 1.200 peak 50 spectrum 1 weight 0.10000E+01 volume 0.13311E-02 ppm1 8.650 ppm2 0.963 CV 1 OR { 50} (( segid " " and resid 436 and name H )) (( segid " " and resid 398 and name HG12)) OR { 50} (( segid " " and resid 436 and name H )) (( segid " " and resid 398 and name HG13)) ASSI { 51} (( segid " " and resid 405 and name H )) (( segid " " and resid 404 and name HA )) 3.000 1.100 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.20838E-02 ppm1 8.456 ppm2 4.027 CV 1 OR { 51} (( segid " " and resid 405 and name H )) (( segid " " and resid 403 and name HA )) ASSI { 52} (( segid " " and resid 405 and name H )) (( segid " " and resid 403 and name HB3 )) 3.200 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.34957E-02 ppm1 8.456 ppm2 1.888 CV 1 OR { 52} (( segid " " and resid 405 and name H )) (( segid " " and resid 403 and name HB2 )) OR { 52} (( segid " " and resid 405 and name H )) (( segid " " and resid 406 and name HG2 )) OR { 52} (( segid " " and resid 405 and name H )) (( segid " " and resid 402 and name HB )) ASSI { 53} (( segid " " and resid 405 and name H )) (( segid " " and resid 405 and name HG3 )) 2.600 0.900 0.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.30354E-02 ppm1 8.456 ppm2 2.105 CV 1 OR { 53} (( segid " " and resid 405 and name H )) (( segid " " and resid 406 and name HB2 )) ASSI { 56} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HG )) 2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.55982E-02 ppm1 8.282 ppm2 1.622 CV 1 OR { 56} (( segid " " and resid 424 and name H )) (( segid " " and resid 423 and name HB3 )) OR { 56} (( segid " " and resid 424 and name H )) (( segid " " and resid 423 and name HB2 )) OR { 56} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HD2 )) OR { 56} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HD3 )) ASSI { 59} (( segid " " and resid 410 and name H )) (( segid " " and resid 406 and name HA )) 3.300 1.400 1.400 peak 59 spectrum 1 weight 0.10000E+01 volume 0.22455E-02 ppm1 8.123 ppm2 3.856 CV 1 OR { 59} (( segid " " and resid 410 and name H )) (( segid " " and resid 411 and name HB2 )) ASSI { 60} (( segid " " and resid 427 and name H )) (( segid " " and resid 424 and name HA )) 2.700 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.33589E-02 ppm1 7.985 ppm2 4.246 CV 1 OR { 60} (( segid " " and resid 426 and name H )) (( segid " " and resid 424 and name HA )) ASSI { 61} (( segid " " and resid 426 and name H )) (( segid " " and resid 423 and name HA )) 2.600 0.800 0.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.54301E-02 ppm1 7.987 ppm2 4.063 CV 1 OR { 61} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name HA )) OR { 61} (( segid " " and 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)) ASSI { 63} (( segid " " and resid 429 and name H )) (( segid " " and resid 429 and name HA )) 2.200 0.600 0.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.98219E-02 ppm1 7.986 ppm2 3.708 CV 1 OR { 63} (( segid " " and resid 426 and name H )) (( segid " " and resid 426 and name HA )) OR { 63} (( segid " " and resid 427 and name H )) (( segid " " and resid 426 and name HA )) ASSI { 64} (( segid " " and resid 427 and name H )) (( segid " " and resid 427 and name HG3 )) 2.700 0.900 0.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.55486E-02 ppm1 7.985 ppm2 2.218 CV 1 OR { 64} (( segid " " and resid 427 and name H )) (( segid " " and resid 426 and name HG2 )) OR { 64} (( segid " " and resid 407 and name H )) (( segid " " and resid 406 and name HB3 )) OR { 64} (( segid " " and resid 427 and name H )) (( segid " " and resid 426 and name HG3 )) OR { 64} (( segid " " and resid 426 and name H )) (( segid " " and resid 426 and name HG3 )) OR { 64} (( segid " " and resid 426 and name H )) (( segid " " and resid 426 and name HG2 )) ASSI { 66} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name HB3 )) 2.100 0.600 0.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.12422E-01 ppm1 7.987 ppm2 1.880 CV 1 OR { 66} (( segid " " and resid 398 and name H )) (( segid " " and resid 398 and name HB )) OR { 66} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name HB2 )) OR { 66} (( segid " " and resid 426 and name H )) (( segid " " and resid 425 and name HB2 )) OR { 66} (( segid " " and resid 407 and name H )) (( segid " " and resid 406 and name HG2 )) OR { 66} (( segid " " and resid 398 and name H )) (( segid " " and resid 440 and name HB3 )) OR { 66} (( segid " " and resid 398 and name H )) (( segid " " and resid 399 and name HB2 )) OR { 66} (( segid " " and resid 427 and name H )) (( segid " " and resid 428 and name HB2 )) OR { 66} (( segid " " and resid 398 and name H )) (( segid " " and resid 440 and name HB2 )) ASSI { 71} (( 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OR { 71} (( segid " " and resid 431 and name H )) ( segid " " and resid 409 and name HD1%) OR { 71} (( segid " " and resid 419 and name H )) ( segid " " and resid 420 and name HG2%) OR { 71} (( segid " " and resid 434 and name H )) ( segid " " and resid 436 and name HD2%) OR { 71} (( segid " " and resid 434 and name H )) ( segid " " and resid 409 and name HD1%) OR { 71} (( segid " " and resid 431 and name H )) ( segid " " and resid 435 and name HD1%) OR { 71} (( segid " " and resid 407 and name H )) ( segid " " and resid 409 and name HD2%) OR { 71} (( segid " " and resid 407 and name H )) ( segid " " and resid 409 and name HD1%) OR { 71} (( segid " " and resid 434 and name H )) ( segid " " and resid 435 and name HG2%) OR { 71} (( segid " " and resid 407 and name H )) (( segid " " and resid 402 and name HG12)) ASSI { 72} (( segid " " and resid 425 and name H )) (( segid " " and resid 425 and name HB2 )) 2.100 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.91252E-02 ppm1 7.746 ppm2 1.814 CV 1 OR { 72} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HB2 )) OR { 72} (( segid " " and resid 408 and name H )) (( segid " " and resid 408 and name HB3 )) OR { 72} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HB3 )) ASSI { 73} (( segid " " and resid 444 and name H )) (( segid " " and resid 443 and name HB2 )) 2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.71720E-02 ppm1 7.723 ppm2 1.649 CV 1 OR { 73} (( segid " " and resid 444 and name H )) (( segid " " and resid 443 and name HB3 )) OR { 73} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HG2 )) OR { 73} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HG3 )) ASSI { 74} (( segid " " and resid 428 and name H )) (( segid " " and resid 425 and name HA )) 2.800 0.900 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.32905E-02 ppm1 7.687 ppm2 3.929 CV 1 OR { 74} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name HA )) ASSI { 76} (( segid " " and resid 443 and name H )) (( segid " " and resid 443 and name HB2 )) 2.100 0.500 0.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.14599E-01 ppm1 7.643 ppm2 1.635 CV 1 OR { 76} (( segid " " and resid 443 and name H )) (( segid " " and resid 443 and name HB3 )) OR { 76} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HG3 )) OR { 76} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HG2 )) OR { 76} (( segid " " and resid 443 and name H )) (( segid " " and resid 443 and name HG )) OR { 76} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 443 and name HB3 )) OR { 76} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 443 and name HB2 )) OR { 76} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 444 and name HG3 )) ASSI { 79} (( segid " " and resid 430 and name HE3 )) (( segid " " and resid 427 and name HG3 )) 2.900 2.900 3.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.15923E-02 ppm1 7.581 ppm2 2.206 CV 1 OR { 79} (( segid " " and resid 430 and name HE3 )) (( segid " " and resid 426 and name HG2 )) OR { 79} (( segid " " and resid 441 and name H )) (( segid " " and resid 445 and name HG2 )) OR { 79} (( segid " " and resid 430 and name HE3 )) (( segid " " and resid 431 and name HB2 )) ASSI { 81} (( segid " " and resid 413 and name HD2 )) ( segid " " and resid 412 and name HD1%) 2.500 0.800 0.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.41364E-02 ppm1 6.972 ppm2 0.804 CV 1 OR { 81} (( segid " " and resid 413 and name HD2 )) ( segid " " and resid 416 and name HD1%) ASSI { 82} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 412 and name HA )) 3.400 1.500 1.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.16546E-02 ppm1 6.972 ppm2 3.990 CV 1 OR { 82} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 414 and name HA )) OR { 82} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 425 and name HA )) OR { 82} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 411 and name HA )) ASSI { 83} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 403 and name HB2 )) 3.000 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.10699E-02 ppm1 7.246 ppm2 1.866 CV 1 OR { 83} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 403 and name HB3 )) OR { 83} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 409 and name HB3 )) ASSI { 84} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 404 and name HG3 )) 3.100 3.100 2.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 7.247 ppm2 1.525 CV 1 OR { 84} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 409 and name HG )) ASSI { 86} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 405 and name HG3 )) 3.100 1.200 1.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.25005E-02 ppm1 7.301 ppm2 2.099 CV 1 OR { 86} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 401 and name HB3 )) ASSI { 87} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 435 and name HB )) 3.400 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 7.300 ppm2 1.961 CV 1 OR { 87} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 405 and name HB2 )) OR { 87} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 405 and name HB3 )) ASSI { 88} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 439 and name HB3 )) 3.400 1.400 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.93305E-03 ppm1 7.298 ppm2 1.882 CV 1 OR { 88} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 439 and name HB2 )) OR { 88} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 402 and name HB )) OR { 88} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 403 and 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" " and resid 435 and name HG2%) 3.700 1.700 1.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.96414E-03 ppm1 6.159 ppm2 0.770 CV 1 OR { 95} (( segid " " and resid 405 and name HE21)) ( segid " " and resid 436 and name HD1%) OR { 95} (( segid " " and resid 405 and name HE21)) ( segid " " and resid 435 and name HD1%) OR { 95} (( segid " " and resid 405 and name HE21)) ( segid " " and resid 436 and name HD2%) ASSI { 96} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 412 and name HB2 )) 3.800 1.800 1.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.10263E-02 ppm1 6.973 ppm2 1.866 CV 1 OR { 96} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 412 and name HB3 )) OR { 96} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 425 and name HB2 )) OR { 96} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 428 and name HB2 )) ASSI { 98} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 434 and name HA )) 3.200 3.200 2.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.39934E-02 ppm1 7.210 ppm2 3.923 CV 1 OR { 98} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 433 and name HA )) OR { 98} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 427 and name HA )) ASSI { 102} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 429 and name HG )) 4.100 2.100 1.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.94544E-03 ppm1 7.209 ppm2 1.384 CV 1 OR { 102} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 434 and name HG2 )) ASSI { 103} (( segid " " and resid 395 and name HE21)) ( segid " " and resid 398 and name HD1%) 3.400 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.15861E-02 ppm1 6.898 ppm2 0.716 CV 1 OR { 103} (( segid " " and resid 395 and name HE21)) ( segid " " and resid 439 and name HD2%) OR { 103} (( segid " " and resid 395 and name HE21)) ( segid " " and resid 402 and name HD1%) ASSI { 105} (( segid " " and resid 395 and name HE21)) ( segid " " and resid 398 and name HG2%) 3.200 1.200 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.88326E-03 ppm1 6.901 ppm2 0.796 CV 1 OR { 105} (( segid " " and resid 395 and name HE21)) ( segid " " and resid 443 and name HD1%) ASSI { 107} (( segid " " and resid 437 and name HB )) (( segid " " and resid 434 and name HA )) 2.600 0.800 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.36388E-02 ppm1 4.190 ppm2 3.916 CV 1 OR { 107} (( segid " " and resid 405 and name HA )) (( segid " " and resid 406 and name HA )) OR { 107} (( segid " " and resid 413 and name HA )) (( segid " " and resid 414 and name HA )) ASSI { 108} (( segid " " and resid 437 and name HB )) (( segid " " and resid 437 and name HA )) 2.400 0.700 0.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.71284E-02 ppm1 4.190 ppm2 3.744 CV 1 OR { 108} (( segid " " and resid 437 and name HB )) (( segid " " and resid 435 and name HA )) OR { 108} (( segid " " and resid 443 and name HA )) (( segid " " and resid 440 and name HA )) OR { 108} (( segid " " and resid 413 and name HA )) (( segid " " and resid 426 and name HA )) ASSI { 109} (( segid " " and resid 424 and name HB3 )) (( segid " " and resid 424 and name HA )) 2.000 0.500 0.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.17068E-01 ppm1 3.908 ppm2 4.246 CV 1 OR { 109} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 424 and name HA )) OR { 109} (( segid " " and resid 434 and name HA )) (( segid " " and resid 437 and name HB )) ASSI { 111} (( segid " " and resid 437 and name HA )) (( segid " " and resid 437 and name HB )) 2.300 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.10356E-01 ppm1 3.744 ppm2 4.179 CV 1 OR { 111} (( segid " " and resid 440 and name HA )) (( segid " " and resid 443 and name HA )) OR { 111} (( segid " " and resid 426 and name HA )) (( segid " " and resid 413 and name HA )) ASSI { 112} (( segid " " and resid 397 and name HA2 )) (( segid " " and resid 394 and name HB )) 2.500 0.800 0.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.81484E-02 ppm1 3.806 ppm2 4.409 CV 1 OR { 112} (( segid " " and resid 429 and name HA )) (( segid " " and resid 430 and name HA )) ASSI { 114} (( segid " " and resid 404 and name HA )) (( segid " " and resid 407 and name HB2 )) 2.500 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.55174E-02 ppm1 4.030 ppm2 3.228 CV 1 OR { 114} (( segid " " and resid 404 and name HA )) (( segid " " and resid 407 and name HB3 )) OR { 114} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name HD3 )) OR { 114} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name HD2 )) OR { 114} (( segid " " and resid 408 and name HA )) (( segid " " and resid 407 and name HB3 )) OR { 114} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HD3 )) OR { 114} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HD2 )) ASSI { 118} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HB3 )) 2.800 1.000 1.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.25129E-02 ppm1 4.190 ppm2 3.097 CV 1 OR { 118} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HB2 )) OR { 118} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HD2 )) ASSI { 119} (( segid " " and resid 428 and name HA )) (( segid " " and resid 428 and name HD3 )) 3.200 1.300 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.21957E-02 ppm1 4.071 ppm2 3.105 CV 1 OR { 119} (( segid " " and resid 428 and name HA )) (( segid " " and resid 428 and name HD2 )) OR { 119} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HD3 )) OR { 119} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HD2 )) ASSI { 121} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HD3 )) 3.700 1.700 1.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.12938E-02 ppm1 4.219 ppm2 3.161 CV 1 OR { 121} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HD2 )) OR { 121} (( segid " " and resid 405 and name HA )) (( segid " " and resid 407 and name HB3 )) OR { 121} (( segid " " and resid 405 and name HA )) (( segid " " and resid 407 and name HB2 )) ASSI { 125} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HG2 )) 2.800 0.900 0.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.38005E-02 ppm1 4.147 ppm2 2.351 CV 1 OR { 125} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HG3 )) OR { 125} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HG3 )) OR { 125} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HG2 )) ASSI { 139} (( segid " " and resid 424 and name HA )) (( segid " " and resid 427 and name HG2 )) 3.500 1.600 1.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.92060E-03 ppm1 4.251 ppm2 2.358 CV 1 OR { 139} (( segid " " and resid 416 and name HA )) (( segid " " and resid 417 and name HG3 )) OR { 139} (( segid " " and resid 416 and name HA )) (( segid " " and resid 417 and name HG2 )) ASSI { 142} (( segid " " and resid 398 and name HA )) (( segid " " and resid 398 and name HB )) 2.000 0.500 0.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.13236E-01 ppm1 3.806 ppm2 1.834 CV 1 OR { 142} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HB2 )) OR { 142} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HB3 )) OR { 142} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HB2 )) OR { 142} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HB3 )) OR { 142} (( segid " " and resid 440 and name HA )) (( segid " " and resid 398 and name HB )) OR { 142} (( segid " " and resid 399 and name HA )) (( segid " " and resid 402 and name HB )) OR { 142} (( 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name HA )) (( segid " " and resid 425 and name HB2 )) 2.600 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.49139E-02 ppm1 3.705 ppm2 1.865 CV 1 OR { 146} (( segid " " and resid 435 and name HA )) (( segid " " and resid 439 and name HB3 )) OR { 146} (( segid " " and resid 435 and name HA )) (( segid " " and resid 434 and name HB2 )) OR { 146} (( segid " " and resid 435 and name HA )) (( segid " " and resid 439 and name HB2 )) OR { 146} (( segid " " and resid 426 and name HA )) (( segid " " and resid 428 and name HB2 )) ASSI { 147} (( segid " " and resid 409 and name HA )) (( segid " " and resid 409 and name HB3 )) 2.800 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.38690E-02 ppm1 3.787 ppm2 1.897 CV 1 OR { 147} (( segid " " and resid 429 and name HA )) (( segid " " and resid 428 and name HB2 )) OR { 147} (( segid " " and resid 398 and name HA )) (( segid " " and resid 402 and name HB )) OR { 147} (( segid " " and resid 398 and name HA )) (( segid " " and resid 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resid 409 and name HA )) (( segid " " and resid 428 and name HB3 )) ASSI { 152} (( segid " " and resid 406 and name HA )) (( segid " " and resid 405 and name HB2 )) 3.100 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.18039E-02 ppm1 3.857 ppm2 2.025 CV 1 OR { 152} (( segid " " and resid 397 and name HA2 )) (( segid " " and resid 400 and name HB2 )) OR { 152} (( segid " " and resid 406 and name HA )) (( segid " " and resid 405 and name HB3 )) OR { 152} (( segid " " and resid 397 and name HA2 )) (( segid " " and resid 401 and name HB2 )) OR { 152} (( segid " " and resid 399 and name HA )) (( segid " " and resid 401 and name HB2 )) OR { 152} (( segid " " and resid 406 and name HA )) (( segid " " and resid 432 and name HB )) OR { 152} (( segid " " and resid 399 and name HA )) (( segid " " and resid 400 and name HB2 )) OR { 152} (( segid " " and resid 397 and name HA2 )) (( segid " " and resid 401 and name HB3 )) ASSI { 153} (( segid " " and resid 397 and name HA2 )) (( segid " " and resid 401 and name HG3 )) 3.500 1.500 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.80864E-03 ppm1 3.856 ppm2 2.291 CV 1 OR { 153} (( segid " " and resid 397 and name HA2 )) (( segid " " and resid 401 and name HG2 )) OR { 153} (( segid " " and resid 397 and name HA2 )) (( segid " " and resid 400 and name HG3 )) OR { 153} (( segid " " and resid 397 and name HA2 )) (( segid " " and resid 400 and name HG2 )) OR { 153} (( segid " " and resid 399 and name HA )) (( segid " " and resid 400 and name HG2 )) OR { 153} (( segid " " and resid 399 and name HA )) (( segid " " and resid 400 and name HG3 )) ASSI { 154} (( segid " " and resid 407 and name HA )) (( segid " " and resid 409 and name HB3 )) 2.800 2.800 3.200 peak 154 spectrum 1 weight 0.10000E+01 volume 0.44599E-02 ppm1 4.296 ppm2 1.907 CV 1 OR { 154} (( segid " " and resid 407 and name HA )) (( segid " " and resid 406 and name HG2 )) OR { 154} (( segid " " and resid 407 and name HA )) (( segid " " and resid 404 and name HB3 )) OR { 154} (( segid " " and resid 407 and name HA )) (( segid " " and resid 405 and name HB3 )) OR { 154} (( segid " " and resid 407 and name HA )) (( segid " " and resid 405 and name HB2 )) ASSI { 155} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HB2 )) 2.100 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.15700E-01 ppm1 4.054 ppm2 1.616 CV 1 OR { 155} (( segid " " and resid 441 and name HA )) (( segid " " and resid 441 and name HG2 )) OR { 155} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HB3 )) OR { 155} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HD2 )) OR { 155} (( segid " " and resid 408 and name HA )) (( segid " " and resid 408 and name HG )) OR { 155} (( segid " " and resid 431 and name HA )) (( segid " " and resid 434 and name HG3 )) OR { 155} (( segid " " and resid 438 and name HA )) (( segid " " and resid 441 and name HG2 )) OR { 155} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HD3 )) ASSI { 156} (( segid " " and resid 396 and name HA )) ( segid " " and resid 396 and name HB% ) 2.100 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.13890E-01 ppm1 4.033 ppm2 1.384 CV 1 OR { 156} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HG2 )) OR { 156} (( segid " " and resid 396 and name HA )) (( segid " " and resid 399 and name HG3 )) OR { 156} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HG3 )) OR { 156} (( segid " " and resid 420 and name HA )) (( segid " " and resid 420 and name HG13)) OR { 156} (( segid " " and resid 396 and name HA )) (( segid " " and resid 399 and name HG2 )) ASSI { 157} (( segid " " and resid 433 and name HA )) (( segid " " and resid 433 and name HB3 )) 2.200 0.600 0.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.12502E-01 ppm1 3.978 ppm2 2.048 CV 1 OR { 157} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HB2 )) OR { 157} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HB3 )) ASSI { 158} (( segid " " and resid 408 and name HA )) (( segid " " and resid 408 and name HB3 )) 2.100 0.600 0.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.12478E-01 ppm1 4.031 ppm2 1.747 CV 1 OR { 158} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HG2 )) OR { 158} (( segid " " and resid 408 and name HA )) (( segid " " and resid 408 and name HB2 )) OR { 158} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name HG2 )) OR { 158} (( segid " " and resid 420 and name HA )) (( segid " " and resid 420 and name HB )) OR { 158} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HG3 )) ASSI { 159} (( segid " " and resid 438 and name HA )) ( segid " " and resid 438 and name HB% ) 2.100 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.11787E-01 ppm1 4.063 ppm2 1.459 CV 1 OR { 159} (( segid " " and resid 431 and name HA )) (( segid " " and resid 434 and name HG2 )) OR { 159} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HG2 )) OR { 159} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HG3 )) ASSI { 160} (( segid " " and resid 405 and name HA )) (( segid " " and resid 408 and name HG )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.11663E-01 ppm1 4.160 ppm2 1.639 CV 1 OR { 160} (( segid " " and resid 413 and name HA )) (( segid " " and resid 416 and name HG )) OR { 160} (( segid " " and resid 443 and name HA )) (( segid " " and resid 443 and name HB3 )) OR { 160} (( segid " " and resid 443 and name HA )) (( segid " " and resid 443 and name HB2 )) OR { 160} (( segid " " and resid 443 and name HA )) (( segid " " and resid 443 and name HG )) ASSI { 161} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HB2 )) 2.100 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.10985E-01 ppm1 3.924 ppm2 1.807 CV 1 OR { 161} (( segid " " and resid 436 and name HA )) (( segid " " and resid 436 and name HB2 )) OR { 161} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HB3 )) OR { 161} (( segid " " and resid 436 and name HA )) (( segid " " and resid 436 and name HB3 )) OR { 161} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HB2 )) ASSI { 162} (( segid " " and resid 416 and name HA )) (( segid " " and resid 416 and name HB3 )) 2.200 0.600 0.600 peak 162 spectrum 1 weight 0.10000E+01 volume 0.10070E-01 ppm1 4.256 ppm2 1.692 CV 1 OR { 162} (( segid " " and resid 421 and name HA )) (( segid " " and resid 421 and name HB2 )) OR { 162} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HG3 )) OR { 162} (( segid " " and resid 421 and name HA )) (( segid " " and resid 421 and name HB3 )) OR { 162} (( segid " " and resid 416 and name HA )) (( segid " " and resid 416 and name HB2 )) OR { 162} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HG2 )) ASSI { 164} (( segid " " and resid 396 and name HA )) (( segid " " and resid 399 and name HB3 )) 2.100 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.96662E-02 ppm1 3.974 ppm2 1.808 CV 1 OR { 164} (( segid " " and resid 396 and name HA )) (( segid " " and resid 399 and name HB2 )) OR { 164} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HB2 )) ASSI { 165} (( segid " " and resid 436 and name HA )) (( segid " " and resid 436 and name HG )) 2.400 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.96225E-02 ppm1 3.919 ppm2 1.615 CV 1 OR { 165} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HG3 )) OR { 165} (( segid " " and resid 439 and name HA )) (( segid " " and resid 442 and name HD3 )) OR { 165} (( segid " " and resid 439 and name HA )) (( segid " " and resid 443 and name HB2 )) OR { 165} (( segid " " and resid 439 and name HA )) (( segid " " and resid 442 and name HD2 )) OR { 165} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 423 and name HB3 )) OR { 165} (( segid " " and resid 439 and name HA )) (( segid " " and resid 443 and name HG )) OR { 165} (( segid " " and resid 434 and name HA )) (( segid " " and resid 436 and name HG )) OR { 165} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 423 and name HB2 )) ASSI { 166} (( segid " " and resid 431 and name HA )) (( segid " " and resid 431 and name HB3 )) 2.300 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.81855E-02 ppm1 4.074 ppm2 2.170 CV 1 OR { 166} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HB3 )) OR { 166} (( segid " " and resid 428 and name HA )) (( segid " " and resid 431 and name HB2 )) OR { 166} (( segid " " and resid 431 and name HA )) (( segid " " and resid 431 and name HB2 )) OR { 166} (( segid " " and resid 428 and name HA )) (( segid " " and resid 431 and name HB3 )) ASSI { 167} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HB3 )) 2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.77254E-02 ppm1 3.927 ppm2 2.009 CV 1 OR { 167} (( segid " " and resid 433 and name HA )) (( segid " " and resid 433 and name HB3 )) OR { 167} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HB2 )) OR { 167} (( segid " " and resid 436 and name HA )) (( segid " " and resid 435 and name HB )) OR { 167} (( segid " " and resid 418 and name HA3 )) (( segid " " and resid 417 and name HB2 )) OR { 167} (( segid " " and resid 434 and name HA )) (( segid " " and resid 433 and name HB3 )) OR { 167} (( segid " " and resid 427 and name HA )) (( segid " " and resid 426 and name HB3 )) ASSI { 169} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HG3 )) 2.400 0.700 0.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.69727E-02 ppm1 4.246 ppm2 1.618 CV 1 OR { 169} (( segid " " and resid 416 and name HA )) (( segid " " and resid 416 and name HG )) OR { 169} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HG2 )) OR { 169} (( segid " " and resid 445 and name HA )) (( segid " " and resid 444 and name HG2 )) OR { 169} (( segid " " and resid 421 and name HA )) (( segid " " and resid 421 and name HD3 )) OR { 169} (( segid " " and resid 421 and name HA )) (( segid " " and resid 421 and name HD2 )) OR { 169} (( segid " " and resid 407 and name HA )) (( segid " " and resid 408 and name HG )) ASSI { 170} (( segid " " and resid 438 and name HA )) ( segid " " and resid 438 and name HB% ) 2.400 0.700 0.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.68299E-02 ppm1 4.031 ppm2 1.523 CV 1 OR { 170} (( segid " " and resid 441 and name HA )) (( segid " " and resid 441 and name HG2 )) OR { 170} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name HG3 )) ASSI { 171} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HB3 )) 2.300 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.65497E-02 ppm1 3.980 ppm2 1.689 CV 1 OR { 171} (( segid " " and resid 425 and name HA )) (( segid " " and resid 428 and name HG2 )) OR { 171} (( segid " " and resid 414 and name HA )) (( segid " " and resid 414 and name HG2 )) OR { 171} (( segid " " and resid 425 and name HA )) (( segid " " and resid 428 and name HG3 )) OR { 171} (( segid " " and resid 411 and name HA )) (( segid " " and resid 414 and name HG2 )) OR { 171} (( segid " " and resid 420 and name HA )) (( segid " " and resid 421 and name HB2 )) ASSI { 172} (( segid " " and resid 445 and name HA )) (( segid " " and resid 445 and name HB2 )) 2.500 0.800 0.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.61828E-02 ppm1 4.253 ppm2 2.045 CV 1 OR { 172} (( segid " " and resid 424 and name HA )) (( segid " " and resid 427 and name HB2 )) ASSI { 173} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HB2 )) 2.400 0.700 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.58843E-02 ppm1 4.079 ppm2 1.692 CV 1 OR { 173} (( segid " " and resid 428 and name HA )) (( segid " " and resid 428 and name HG3 )) OR { 173} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HB3 )) OR { 173} (( segid " " and resid 428 and name HA )) (( segid " " and resid 428 and name HG2 )) OR { 173} (( segid " " and resid 438 and name HA )) (( segid " " and resid 441 and name HG3 )) ASSI { 174} (( segid " " and resid 406 and name HA )) (( segid " " and resid 409 and name HB2 )) 2.400 0.700 0.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.56914E-02 ppm1 3.846 ppm2 1.603 CV 1 OR { 174} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HD3 )) OR { 174} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HD2 )) ASSI { 175} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HB3 )) 2.400 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.54985E-02 ppm1 4.139 ppm2 1.980 CV 1 OR { 175} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HB2 )) OR { 175} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HB2 )) ASSI { 176} (( segid " " and resid 420 and name HA )) (( segid " " and resid 420 and name HG12)) 2.600 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.51689E-02 ppm1 4.046 ppm2 1.160 CV 1 OR { 176} (( segid " " and resid 438 and name HA )) ( segid " " and resid 437 and name HG2%) OR { 176} (( segid " " and resid 412 and name HA )) (( segid " " and resid 412 and name HG )) ASSI { 178} (( segid " " and resid 433 and name HA )) (( segid " " and resid 433 and name HB2 )) 2.500 0.800 0.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.49077E-02 ppm1 3.959 ppm2 2.197 CV 1 OR { 178} (( segid " " and resid 433 and name HA )) (( segid " " and resid 433 and name HG2 )) OR { 178} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HG3 )) ASSI { 179} (( segid " " and resid 439 and name HA )) (( segid " " and resid 439 and name HG )) 2.600 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.48517E-02 ppm1 3.920 ppm2 1.265 CV 1 OR { 179} (( segid " " and resid 424 and name HB3 )) (( segid " " and resid 425 and name HG3 )) OR { 179} (( segid " " and resid 436 and name HA )) (( segid " " and resid 439 and name HG )) ASSI { 181} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HG2 )) 2.800 1.000 1.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.47398E-02 ppm1 3.963 ppm2 2.272 CV 1 OR { 181} (( segid " " and resid 433 and name HA )) (( segid " " and resid 433 and name HG2 )) OR { 181} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HG3 )) ASSI { 182} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HG3 )) 2.500 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.46900E-02 ppm1 3.943 ppm2 1.263 CV 1 OR { 182} (( segid " " and resid 439 and name HA )) (( segid " " and resid 439 and name HG )) OR { 182} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HG2 )) ASSI { 183} (( segid " " and resid 428 and name HA )) (( segid " " and resid 431 and name HB2 )) 2.500 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.43976E-02 ppm1 4.036 ppm2 2.167 CV 1 OR { 183} (( segid " " and resid 428 and name HA )) (( segid " " and resid 431 and name HB3 )) OR { 183} (( segid " " and resid 403 and name HA )) (( segid " " and resid 406 and name HB2 )) OR { 183} (( segid " " and resid 441 and name HA )) (( segid " " and resid 445 and name HG2 )) OR { 183} (( segid " " and resid 403 and name HA )) (( segid " " and resid 406 and name HB3 )) ASSI { 184} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HG2 )) 2.800 1.000 1.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.41551E-02 ppm1 3.925 ppm2 1.433 CV 1 OR { 184} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HD3 )) OR { 184} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HD2 )) OR { 184} (( segid " " and resid 439 and name HA )) ( segid " " and resid 438 and name HB% ) OR { 184} (( segid " " and resid 427 and name HA )) (( segid " " and resid 429 and name HG )) OR { 184} (( segid " " and resid 439 and name HA )) (( segid " " and resid 442 and name HG3 )) OR { 184} (( segid " " and resid 434 and name HA )) ( segid " " and resid 438 and name HB% ) OR { 184} (( segid " " and resid 397 and name HA3 )) ( segid " " and resid 396 and name HB% ) OR { 184} (( segid " " and resid 439 and name HA )) (( segid " " and resid 442 and name HG2 )) OR { 184} (( segid " " and resid 425 and name HA )) (( segid " " and resid 429 and name HG )) OR { 184} (( segid " " and resid 439 and name HA )) (( segid " " and resid 440 and name HG2 )) OR { 184} (( segid " " and resid 436 and name HA )) (( segid " " and resid 440 and name HG2 )) ASSI { 189} (( segid " " and resid 413 and name HA )) (( segid " " and resid 412 and name HB2 )) 3.200 1.200 1.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.30541E-02 ppm1 4.165 ppm2 1.815 CV 1 OR { 189} (( segid " " and resid 437 and name HB )) (( segid " " and resid 434 and name HB2 )) OR { 189} (( segid " " and resid 405 and name HA )) (( segid " " and resid 408 and name HB3 )) OR { 189} (( segid " " and resid 437 and name HB )) (( segid " " and resid 441 and name HG3 )) OR { 189} (( segid " " and resid 405 and name HA )) (( segid " " and resid 408 and name HB2 )) OR { 189} (( segid " " and resid 405 and name HA )) (( segid " " and resid 409 and name HB3 )) OR { 189} (( segid " " and resid 443 and name HA )) (( segid " " and resid 444 and name HB3 )) OR { 189} (( segid " " and resid 413 and name HA )) (( segid " " and resid 425 and name HB2 )) OR { 189} (( segid " " and resid 413 and name HA )) (( segid " " and resid 412 and name HB3 )) OR { 189} (( segid " " and resid 443 and name HA )) (( segid " " and resid 444 and name HB2 )) OR { 189} (( segid " " and resid 437 and name HB )) (( segid " " and resid 441 and name HB2 )) ASSI { 191} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HB3 )) 2.700 0.900 0.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.29546E-02 ppm1 4.194 ppm2 1.812 CV 1 OR { 191} (( segid " " and resid 445 and name HA )) (( segid " " and resid 445 and name HB3 )) OR { 191} (( segid " " and resid 444 and name HA )) (( segid " " and resid 444 and name HB2 )) ASSI { 194} (( segid " " and resid 396 and name HA )) ( segid " " and resid 396 and name HB% ) 2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.25067E-02 ppm1 3.972 ppm2 1.448 CV 1 OR { 194} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HD3 )) ASSI { 196} (( segid " " and resid 433 and name HA )) (( segid " " and resid 433 and name HG3 )) 2.700 0.900 0.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 3.965 ppm2 2.418 CV 1 OR { 196} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HG2 )) OR { 196} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HG3 )) ASSI { 199} (( segid " " and resid 443 and name HA )) ( segid " " and resid 446 and name HB% ) 3.000 1.100 1.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.20464E-02 ppm1 4.158 ppm2 1.284 CV 1 OR { 199} (( segid " " and resid 443 and name HA )) (( segid " " and resid 439 and name HG )) ASSI { 200} (( segid " " and resid 434 and name HA )) ( segid " " and resid 437 and name HG2%) 3.200 1.300 1.300 peak 200 spectrum 1 weight 0.10000E+01 volume 0.20464E-02 ppm1 3.925 ppm2 1.177 CV 1 OR { 200} (( segid " " and resid 418 and name HA2 )) (( segid " " and resid 420 and name HG12)) OR { 200} (( segid " " and resid 418 and name HA3 )) (( segid " " and resid 420 and name HG12)) OR { 200} (( segid " " and resid 425 and name HA )) (( segid " " and resid 412 and name HG )) ASSI { 201} (( segid " " and resid 424 and name HA )) (( segid " " and resid 427 and name HB2 )) 3.100 1.200 1.200 peak 201 spectrum 1 weight 0.10000E+01 volume 0.16546E-02 ppm1 4.256 ppm2 1.978 CV 1 OR { 201} (( segid " " and resid 424 and name HA )) (( segid " " and resid 426 and name HB2 )) OR { 201} (( segid " " and resid 424 and name HA )) (( segid " " and resid 427 and name HB3 )) OR { 201} (( segid " " and resid 424 and name HA )) (( segid " " and resid 426 and name HB3 )) ASSI { 205} (( segid " " and resid 400 and name HA )) (( segid " " and resid 403 and name HG3 )) 3.300 1.400 1.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.14804E-02 ppm1 4.135 ppm2 1.771 CV 1 OR { 205} (( segid " " and resid 400 and name HA )) (( segid " " and resid 399 and name HB2 )) OR { 205} (( segid " " and resid 413 and name HA )) (( segid " " and resid 429 and name HB3 )) OR { 205} (( segid " " and resid 401 and name HA )) (( segid " " and resid 404 and name HG2 )) OR { 205} (( segid " " and resid 400 and name HA )) (( segid " " and resid 403 and name HG2 )) OR { 205} (( segid " " and resid 413 and name HA )) (( segid " " and resid 429 and name HB2 )) OR { 205} (( segid " " and resid 443 and name HA )) (( segid " " and resid 444 and name HB3 )) OR { 205} (( segid " " and resid 413 and name HA )) (( segid " " and resid 425 and name HB2 )) ASSI { 206} (( segid " " and resid 437 and name HB )) ( segid " " and resid 438 and name HB% ) 3.700 1.700 1.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.12502E-02 ppm1 4.186 ppm2 1.460 CV 1 OR { 206} (( segid " " and resid 413 and name HA )) (( segid " " and resid 429 and name HG )) ASSI { 209} (( segid " " and resid 401 and name HA )) (( segid " " and resid 404 and name HG3 )) 3.400 1.400 1.400 peak 209 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 4.118 ppm2 1.517 CV 1 OR { 209} (( segid " " and resid 400 and name HA )) (( segid " " and resid 404 and name HG3 )) ASSI { 210} (( segid " " and resid 406 and name HA )) (( segid " " and resid 409 and name HG )) 4.100 2.100 1.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.10077E-02 ppm1 3.860 ppm2 1.461 CV 1 OR { 210} (( segid " " and resid 419 and name HA3 )) (( segid " " and resid 420 and name HG13)) ASSI { 212} (( segid " " and resid 398 and name HA )) (( segid " " and resid 401 and name HG3 )) 3.900 1.900 1.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.73396E-03 ppm1 3.825 ppm2 2.274 CV 1 OR { 212} (( segid " " and resid 397 and name HA2 )) (( segid " " and resid 401 and name HG3 )) OR { 212} (( segid " " and resid 398 and name HA )) (( segid " " and resid 401 and name HG2 )) ASSI { 213} (( segid " " and resid 409 and name HA )) (( segid " " and resid 409 and name HB2 )) 2.200 0.600 0.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.93052E-02 ppm1 3.763 ppm2 1.599 CV 1 OR { 213} (( segid " " and resid 440 and name HA )) (( segid " " and resid 443 and name HB2 )) OR { 213} (( segid " " and resid 437 and name HA )) (( segid " " and resid 440 and name HD2 )) OR { 213} (( segid " " and resid 440 and name HA )) (( segid " " and resid 443 and name HB3 )) OR { 213} (( segid " " and resid 437 and name HA )) (( segid " " and resid 441 and name HG2 )) OR { 213} (( segid " " and resid 437 and name HA )) (( segid " " and resid 440 and name HD3 )) OR { 213} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HD2 )) ASSI { 214} (( segid " " and resid 426 and name HA )) (( segid " " and resid 429 and name HG )) 2.300 0.600 0.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.80363E-02 ppm1 3.699 ppm2 1.458 CV 1 OR { 214} (( segid " " and resid 435 and name HA )) ( segid " " and resid 438 and name HB% ) ASSI { 215} (( segid " " and resid 409 and name HA )) (( segid " " and resid 409 and name HG )) 2.300 0.600 0.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.64937E-02 ppm1 3.776 ppm2 1.496 CV 1 OR { 215} (( segid " " and resid 429 and name HA )) (( segid " " and resid 409 and name HG )) OR { 215} (( segid " " and resid 429 and name HA )) (( segid " " and resid 429 and name HG )) ASSI { 216} (( segid " " and resid 435 and name HA )) (( segid " " and resid 435 and name HG12)) 2.400 0.700 0.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.56855E-02 ppm1 3.700 ppm2 1.697 CV 1 OR { 216} (( segid " " and resid 426 and name HA )) (( segid " " and resid 429 and name HB3 )) ASSI { 218} (( segid " " and resid 437 and name HA )) (( segid " " and resid 440 and name HG3 )) 2.300 0.700 0.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.51752E-02 ppm1 3.768 ppm2 1.434 CV 1 OR { 218} (( segid " " and resid 409 and name HA )) (( segid " " and resid 409 and name HG )) OR { 218} (( segid " " and resid 429 and name HA )) (( segid " " and resid 409 and name HG )) OR { 218} (( segid " " and resid 437 and name HA )) (( segid " " and resid 440 and name HG2 )) OR { 218} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HG2 )) ASSI { 219} (( segid " " and resid 429 and name HA )) (( segid " " and resid 429 and name HB2 )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.44163E-02 ppm1 3.768 ppm2 1.710 CV 1 OR { 219} (( segid " " and resid 429 and name HA )) (( segid " " and resid 429 and name HB3 )) OR { 219} (( segid " " and resid 440 and name HA )) (( segid " " and resid 443 and name HB2 )) OR { 219} (( segid " " and resid 440 and name HA )) (( segid " " and resid 443 and name HB3 )) ASSI { 221} (( segid " " and resid 429 and name HA )) (( segid " " and resid 409 and name HG )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.42795E-02 ppm1 3.800 ppm2 1.454 CV 1 OR { 221} (( segid " " and resid 429 and name HA )) (( segid " " and resid 429 and name HG )) ASSI { 223} (( segid " " and resid 402 and name HA )) (( segid " " and resid 405 and name HG3 )) 3.600 1.600 1.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.10326E-02 ppm1 3.351 ppm2 2.211 CV 1 OR { 223} (( segid " " and resid 430 and name HB3 )) (( segid " " and resid 431 and name HB3 )) OR { 223} (( segid " " and resid 430 and name HB2 )) (( segid " " and resid 433 and name HB2 )) OR { 223} (( segid " " and resid 430 and name HB3 )) (( segid " " and resid 433 and name HB2 )) OR { 223} (( segid " " and resid 430 and name HB3 )) (( segid " " and resid 431 and name HB2 )) OR { 223} (( segid " " and resid 430 and name HB2 )) (( segid " " and resid 431 and name HB3 )) OR { 223} (( segid " " and resid 402 and name HA )) (( segid " " and resid 406 and name HB3 )) OR { 223} (( segid " " and resid 430 and name HB2 )) (( segid " " and resid 431 and name HB2 )) ASSI { 224} (( segid " " and resid 402 and name HA )) (( segid " " and resid 405 and name HG3 )) 3.600 1.600 1.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.94544E-03 ppm1 3.387 ppm2 2.102 CV 1 OR { 224} (( segid " " and resid 402 and name HA )) (( segid " " and resid 401 and name HB3 )) OR { 224} (( segid " " and resid 402 and name HA )) (( segid " " and resid 401 and name HB2 )) OR { 224} (( segid " " and resid 402 and name HA )) (( segid " " and resid 406 and name HB2 )) ASSI { 226} (( segid " " and resid 423 and name HA )) ( segid " " and resid 423 and name HD2%) 2.100 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.17211E-01 ppm1 4.048 ppm2 0.822 CV 1 OR { 226} (( segid " " and resid 420 and name HA )) ( segid " " and resid 420 and name HG2%) OR { 226} (( segid " " and resid 420 and name HA )) ( segid " " and resid 420 and name HD1%) OR { 226} (( segid " " and resid 423 and name HA )) ( segid " " and resid 423 and name HD1%) ASSI { 227} (( segid " " and resid 436 and name HA )) ( segid " " and resid 436 and name HD2%) 2.100 0.600 0.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.12179E-01 ppm1 3.918 ppm2 0.840 CV 1 OR { 227} (( segid " " and resid 436 and name HA )) ( segid " " and resid 436 and name HD1%) OR { 227} (( segid " " and resid 439 and name HA )) ( segid " " and resid 439 and name HD1%) ASSI { 228} (( segid " " and resid 440 and name HA )) ( segid " " and resid 398 and name HG2%) 2.100 0.600 0.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.11937E-01 ppm1 3.785 ppm2 0.812 CV 1 OR { 228} (( segid " " and resid 409 and name HA )) ( segid " " and resid 412 and name HD1%) OR { 228} (( segid " " and resid 429 and name HA )) ( segid " " and resid 409 and name HD1%) OR { 228} (( segid " " and resid 429 and name HA )) ( segid " " and resid 412 and name HD1%) OR { 228} (( segid " " and resid 409 and name HA )) ( segid " " and resid 409 and name HD1%) OR { 228} (( segid " " and resid 398 and name HA )) ( segid " " and resid 398 and name HG2%) OR { 228} (( segid " " and resid 398 and name HA )) ( segid " " and resid 439 and name HD2%) OR { 228} (( segid " " and resid 437 and name HA )) ( segid " " and resid 436 and name HD1%) ASSI { 229} (( segid " " and resid 423 and name HA )) ( segid " " and resid 423 and name HD2%) 2.300 0.700 0.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.11228E-01 ppm1 4.030 ppm2 0.893 CV 1 OR { 229} (( segid " " and resid 423 and name HA )) ( segid " " and resid 423 and name HD1%) OR { 229} (( segid " " and resid 408 and name HA )) ( segid " " and resid 408 and name HD1%) OR { 229} (( segid " " and resid 408 and name HA )) ( segid " " and resid 408 and name HD2%) ASSI { 231} (( segid " " and resid 433 and name HA )) ( segid " " and resid 436 and name HD1%) 2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.11103E-01 ppm1 3.941 ppm2 0.837 CV 1 OR { 231} (( segid " " and resid 436 and name HA )) ( segid " " and resid 435 and name HG2%) OR { 231} (( segid " " and resid 433 and name HA )) ( segid " " and resid 436 and name HD2%) OR { 231} (( segid " " and resid 436 and name HA )) ( segid " " and resid 436 and name HD2%) OR { 231} (( segid " " and resid 436 and name HA )) ( segid " " and resid 436 and name HD1%) OR { 231} (( segid " " and resid 439 and name HA )) ( segid " " and resid 439 and name HD1%) ASSI { 232} (( segid " " and resid 416 and name HA )) ( segid " " and resid 416 and name HD1%) 2.600 0.800 0.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.81548E-02 ppm1 4.250 ppm2 0.837 CV 1 OR { 232} (( segid " " and resid 421 and name HA )) ( segid " " and resid 423 and name HD2%) OR { 232} (( segid " " and resid 416 and name HA )) ( segid " " and resid 420 and name HG2%) OR { 232} (( segid " " and resid 416 and name HA )) ( segid " " and resid 420 and name HD1%) OR { 232} (( segid " " and resid 407 and name HA )) ( segid " " and resid 408 and name HD1%) OR { 232} (( segid " " and resid 407 and name HA )) ( segid " " and resid 408 and name HD2%) ASSI { 233} (( segid " " and resid 405 and name HA )) ( segid " " and resid 408 and name HD2%) 2.300 0.600 0.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.80611E-02 ppm1 4.159 ppm2 0.851 CV 1 OR { 233} (( segid " " and resid 405 and name HA )) ( segid " " and resid 408 and name HD1%) OR { 233} (( segid " " and resid 443 and name HA )) ( segid " " and resid 443 and name HD2%) OR { 233} (( segid " " and resid 443 and name HA )) ( segid " " and resid 443 and name HD1%) OR { 233} (( segid " " and resid 413 and name HA )) ( segid " " and resid 416 and name HD1%) ASSI { 236} (( segid " " and resid 435 and name HA )) ( segid " " and resid 435 and name HG2%) 2.500 0.800 0.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.68482E-02 ppm1 3.698 ppm2 0.836 CV 1 OR { 236} (( segid " " and resid 426 and name HA )) ( segid " " and resid 416 and name HD1%) OR { 236} (( segid " " and resid 435 and name HA )) ( segid " " and resid 435 and name HD1%) ASSI { 237} (( segid " " and resid 413 and name HA )) ( segid " " and resid 412 and name HD1%) 2.400 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.65373E-02 ppm1 4.158 ppm2 0.783 CV 1 OR { 237} (( segid " " and resid 443 and name HA )) ( segid " " and resid 443 and name HD2%) OR { 237} (( segid " " and resid 443 and name HA )) ( segid " " and resid 443 and name HD1%) OR { 237} (( segid " " and resid 413 and name HA )) ( segid " " and resid 416 and name HD1%) ASSI { 240} (( segid " " and resid 399 and name HA )) ( segid " " and resid 402 and name HG2%) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.47771E-02 ppm1 3.829 ppm2 0.720 CV 1 OR { 240} (( segid " " and resid 399 and name HA )) ( segid " " and resid 398 and name HD1%) OR { 240} (( segid " " and resid 398 and name HA )) ( segid " " and resid 398 and name HD1%) OR { 240} (( segid " " and resid 399 and name HA )) ( segid " " and resid 402 and name HD1%) OR { 240} (( segid " " and resid 398 and name HA )) ( segid " " and resid 439 and name HD2%) ASSI { 242} (( segid " " and resid 420 and name HA )) ( segid " " and resid 420 and name HD1%) 2.700 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.43354E-02 ppm1 3.982 ppm2 0.714 CV 1 OR { 242} (( segid " " and resid 425 and name HA )) ( segid " " and resid 412 and name HD2%) OR { 242} (( segid " " and resid 397 and name HA3 )) ( segid " " and resid 439 and name HD2%) OR { 242} (( segid " " and resid 425 and name HA )) ( segid " " and resid 416 and name HD2%) ASSI { 243} (( segid " " and resid 426 and name HA )) ( segid " " and resid 416 and name HD2%) 2.500 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.39187E-02 ppm1 3.708 ppm2 0.731 CV 1 OR { 243} (( segid " " and resid 437 and name HA )) ( segid " " and resid 398 and name HD1%) ASSI { 244} (( segid " " and resid 413 and name HA )) ( segid " " and resid 416 and name HD2%) 3.100 1.200 1.200 peak 244 spectrum 1 weight 0.10000E+01 volume 0.34397E-02 ppm1 4.167 ppm2 0.727 CV 1 OR { 244} (( segid " " and resid 413 and name HA )) ( segid " " and resid 412 and name HD2%) OR { 244} (( segid " " and resid 417 and name HA )) ( segid " " and resid 420 and name HD1%) OR { 244} (( segid " " and resid 405 and name HA )) ( segid " " and resid 412 and name HD2%) ASSI { 245} (( segid " " and resid 399 and name HA )) ( segid " " and resid 398 and name HG2%) 2.900 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.32780E-02 ppm1 3.859 ppm2 0.893 CV 1 OR { 245} (( segid " " and resid 406 and name HA )) ( segid " " and resid 408 and name HD1%) OR { 245} (( segid " " and resid 397 and name HA2 )) ( segid " " and resid 398 and name HG2%) OR { 245} (( segid " " and resid 406 and name HA )) ( segid " " and resid 436 and name HD2%) ASSI { 246} (( segid " " and resid 398 and name HA )) (( segid " " and resid 398 and name HG12)) 2.700 0.900 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 3.804 ppm2 0.999 CV 1 OR { 246} (( segid " " and resid 429 and name HA )) ( segid " " and resid 432 and name HG2%) OR { 246} (( segid " " and resid 398 and name HA )) (( segid " " and resid 398 and name HG13)) OR { 246} (( segid " " and resid 440 and name HA )) (( segid " " and resid 398 and name HG13)) ASSI { 247} (( segid " " and resid 433 and name HA )) ( segid " " and resid 436 and name HD1%) 2.800 1.000 1.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.23699E-02 ppm1 3.964 ppm2 0.888 CV 1 OR { 247} (( segid " " and resid 395 and name HA )) ( segid " " and resid 398 and name HG2%) OR { 247} (( segid " " and resid 433 and name HA )) ( segid " " and resid 436 and name HD2%) OR { 247} (( segid " " and resid 439 and name HA )) ( segid " " and resid 439 and name HD1%) ASSI { 248} (( segid " " and resid 405 and name HA )) ( segid " " and resid 408 and name HD2%) 2.800 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.23325E-02 ppm1 4.184 ppm2 0.890 CV 1 OR { 248} (( segid " " and resid 405 and name HA )) ( segid " " and resid 408 and name HD1%) OR { 248} (( segid " " and resid 443 and name HA )) ( segid " " and resid 443 and name HD1%) OR { 248} (( segid " " and resid 413 and name HA )) ( segid " " and resid 416 and name HD1%) ASSI { 249} (( segid " " and resid 403 and name HA )) ( segid " " and resid 402 and name HG2%) 3.100 1.200 1.200 peak 249 spectrum 1 weight 0.10000E+01 volume 0.22704E-02 ppm1 4.049 ppm2 0.701 CV 1 OR { 249} (( segid " " and resid 412 and name HA )) ( segid " " and resid 412 and name HD2%) OR { 249} (( segid " " and resid 408 and name HA )) ( segid " " and resid 412 and name HD2%) OR { 249} (( segid " " and resid 428 and name HA )) ( segid " " and resid 412 and name HD2%) OR { 249} (( segid " " and resid 403 and name HA )) (( segid " " and resid 402 and name HG12)) OR { 249} (( segid " " and resid 423 and name HA )) ( segid " " and resid 416 and name HD2%) ASSI { 251} (( segid " " and resid 399 and name HA )) ( segid " " and resid 402 and name HG2%) 3.000 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.21957E-02 ppm1 3.858 ppm2 0.802 CV 1 OR { 251} (( segid " " and resid 406 and name HA )) ( segid " " and resid 409 and name HD1%) OR { 251} (( segid " " and resid 406 and name HA )) ( segid " " and resid 409 and name HD2%) OR { 251} (( segid " " and resid 399 and name HA )) ( segid " " and resid 398 and name HG2%) OR { 251} (( segid " " and resid 399 and name HA )) ( segid " " and resid 402 and name HD1%) OR { 251} (( segid " " and resid 419 and name HA3 )) ( segid " " and resid 420 and name HD1%) OR { 251} (( segid " " and resid 397 and name HA2 )) ( segid " " and resid 398 and name HG2%) ASSI { 252} (( segid " " and resid 440 and name HA )) ( segid " " and resid 398 and name HG2%) 2.800 1.000 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.21770E-02 ppm1 3.800 ppm2 0.917 CV 1 OR { 252} (( segid " " and resid 398 and name HA )) ( segid " " and resid 398 and name HG2%) OR { 252} (( segid " " and resid 399 and name HA )) ( segid " " and resid 398 and name HG2%) ASSI { 253} (( segid " " and resid 435 and name HA )) ( segid " " and resid 435 and name HG2%) 2.900 1.100 1.100 peak 253 spectrum 1 weight 0.10000E+01 volume 0.21522E-02 ppm1 3.678 ppm2 0.780 CV 1 OR { 253} (( segid " " and resid 426 and name HA )) ( segid " " and resid 416 and name HD1%) OR { 253} (( segid " " and resid 426 and name HA )) ( segid " " and resid 416 and name HD2%) OR { 253} (( segid " " and resid 435 and name HA )) ( segid " " and resid 435 and name HD1%) ASSI { 254} (( segid " " and resid 433 and name HA )) ( segid " " and resid 432 and name HG2%) 3.200 1.300 1.300 peak 254 spectrum 1 weight 0.10000E+01 volume 0.19905E-02 ppm1 3.967 ppm2 1.011 CV 1 OR { 254} (( segid " " and resid 433 and name HA )) ( segid " " and resid 432 and name HG1%) OR { 254} (( segid " " and resid 439 and name HA )) (( segid " " and resid 398 and name HG13)) OR { 254} (( segid " " and resid 433 and name HA )) (( segid " " and resid 435 and name HG13)) OR { 254} (( segid " " and resid 439 and name HA )) (( segid " " and resid 398 and name HG12)) OR { 254} (( segid " " and resid 397 and name HA3 )) (( segid " " and resid 398 and name HG12)) OR { 254} (( segid " " and resid 397 and name HA3 )) (( segid " " and resid 398 and name HG13)) OR { 254} (( segid " " and resid 395 and name HA )) (( segid " " and resid 398 and name HG13)) ASSI 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weight 0.10000E+01 volume 0.97034E-03 ppm1 3.741 ppm2 0.896 CV 1 OR { 262} (( segid " " and resid 409 and name HA )) ( segid " " and resid 408 and name HD1%) OR { 262} (( segid " " and resid 426 and name HA )) ( segid " " and resid 416 and name HD1%) OR { 262} (( segid " " and resid 437 and name HA )) ( segid " " and resid 436 and name HD1%) ASSI { 263} (( segid " " and resid 399 and name HA )) (( segid " " and resid 398 and name HG12)) 3.700 1.700 1.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.93305E-03 ppm1 3.857 ppm2 1.002 CV 1 OR { 263} (( segid " " and resid 406 and name HA )) ( segid " " and resid 432 and name HG2%) OR { 263} (( segid " " and resid 406 and name HA )) ( segid " " and resid 432 and name HG1%) OR { 263} (( segid " " and resid 399 and name HA )) (( segid " " and resid 398 and name HG13)) ASSI { 264} (( segid " " and resid 436 and name HA )) (( segid " " and resid 398 and name HG12)) 3.300 1.400 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.92680E-03 ppm1 3.934 ppm2 1.036 CV 1 OR { 264} (( segid " " and resid 436 and name HA )) (( segid " " and resid 398 and name HG13)) OR { 264} (( segid " " and resid 433 and name HA )) ( segid " " and resid 432 and name HG2%) OR { 264} (( segid " " and resid 434 and name HA )) (( segid " " and resid 435 and name HG13)) OR { 264} (( segid " " and resid 439 and name HA )) (( segid " " and resid 398 and name HG13)) ASSI { 265} (( segid " " and resid 416 and name HG )) ( segid " " and resid 416 and name HD2%) 2.000 0.500 0.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.15656E-01 ppm1 1.610 ppm2 0.727 CV 1 OR { 265} (( segid " " and resid 440 and name HD2 )) ( segid " " and resid 398 and name HD1%) OR { 265} (( segid " " and resid 440 and name HD2 )) ( segid " " and resid 402 and name HD1%) OR { 265} (( segid " " and resid 440 and name HD3 )) ( segid " " and resid 398 and name HD1%) OR { 265} (( segid " " and resid 409 and name HB2 )) ( segid " " and resid 412 and name HD2%) OR { 265} (( segid " 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(( segid " " and resid 401 and name HB2 )) ( segid " " and resid 439 and name HD1%) OR { 276} (( segid " " and resid 401 and name HB2 )) ( segid " " and resid 398 and name HD1%) OR { 276} (( segid " " and resid 433 and name HB3 )) ( segid " " and resid 409 and name HD2%) OR { 276} (( segid " " and resid 433 and name HB3 )) ( segid " " and resid 436 and name HD1%) OR { 276} (( segid " " and resid 393 and name HB3 )) ( segid " " and resid 443 and name HD1%) OR { 276} (( segid " " and resid 432 and name HB )) ( segid " " and resid 435 and name HD1%) OR { 276} (( segid " " and resid 417 and name HB2 )) ( segid " " and resid 420 and name HD1%) OR { 276} (( segid " " and resid 433 and name HB3 )) ( segid " " and resid 436 and name HD2%) OR { 276} (( segid " " and resid 401 and name HB2 )) ( segid " " and resid 402 and name HG2%) OR { 276} (( segid " " and resid 393 and name HB3 )) ( segid " " and resid 443 and name HD2%) OR { 276} (( segid " " and resid 417 and name HB3 )) ( segid " " and resid 420 and name HD1%) OR { 276} (( segid " " and resid 395 and name HB2 )) ( segid " " and resid 443 and name HD1%) OR { 276} (( segid " " and resid 401 and name HB3 )) ( segid " " and resid 398 and name HD1%) OR { 276} (( segid " " and resid 432 and name HB )) ( segid " " and resid 409 and name HD2%) OR { 276} (( segid " " and resid 401 and name HB3 )) ( segid " " and resid 402 and name HG2%) OR { 276} (( segid " " and resid 432 and name HB )) ( segid " " and resid 435 and name HG2%) OR { 276} (( segid " " and resid 401 and name HB2 )) ( segid " " and resid 439 and name HD2%) OR { 276} (( segid " " and resid 432 and name HB )) ( segid " " and resid 436 and name HD2%) OR { 276} (( segid " " and resid 401 and name HB2 )) ( segid " " and resid 402 and name HD1%) OR { 276} (( segid " " and resid 401 and name HB3 )) ( segid " " and resid 439 and name HD2%) ASSI { 279} (( segid " " and resid 420 and name HG13)) ( segid " " and resid 420 and name HD1%) 2.500 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.51006E-02 ppm1 1.422 ppm2 0.801 CV 1 OR { 279} (( segid " " and resid 420 and name HG13)) ( segid " " and resid 420 and name HG2%) OR { 279} (( segid " " and resid 429 and name HG )) ( segid " " and resid 412 and name HD1%) ASSI { 280} (( segid " " and resid 436 and name HG )) ( segid " " and resid 436 and name HD1%) 2.400 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.48953E-02 ppm1 1.593 ppm2 0.890 CV 1 OR { 280} (( segid " " and resid 436 and name HG )) ( segid " " and resid 436 and name HD2%) OR { 280} (( segid " " and resid 416 and name HG )) ( segid " " and resid 416 and name HD1%) OR { 280} (( segid " " and resid 423 and name HB2 )) ( segid " " and resid 423 and name HD1%) OR { 280} (( segid " " and resid 423 and name HB3 )) ( segid " " and resid 423 and name HD1%) OR { 280} (( segid " " and resid 423 and name HB2 )) ( segid " " and resid 423 and name HD2%) OR { 280} (( segid " " and resid 423 and name HB3 )) ( segid " " and resid 423 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(( segid " " and resid 440 and name HD3 )) (( segid " " and resid 398 and name HG13)) OR { 305} (( segid " " and resid 440 and name HD3 )) (( segid " " and resid 398 and name HG12)) ASSI { 306} (( segid " " and resid 415 and name HB2 )) ( segid " " and resid 416 and name HD1%) 3.200 1.300 1.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.22019E-02 ppm1 2.606 ppm2 0.826 CV 1 OR { 306} (( segid " " and resid 415 and name HB2 )) ( segid " " and resid 412 and name HD1%) OR { 306} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 435 and name HG2%) OR { 306} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 435 and name HD1%) OR { 306} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 409 and name HD1%) OR { 306} (( segid " " and resid 415 and name HB2 )) ( segid " " and resid 420 and name HG2%) OR { 306} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 436 and name HD2%) OR { 306} (( segid " " and resid 405 and name HG2 )) (( 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and name HD1%) OR { 317} (( segid " " and resid 432 and name HB )) ( segid " " and resid 436 and name HD1%) OR { 317} (( segid " " and resid 401 and name HB3 )) ( segid " " and resid 439 and name HD1%) OR { 317} (( segid " " and resid 406 and name HB2 )) ( segid " " and resid 436 and name HD1%) OR { 317} (( segid " " and resid 401 and name HB2 )) ( segid " " and resid 398 and name HG2%) OR { 317} (( segid " " and resid 401 and name HB3 )) ( segid " " and resid 435 and name HG2%) OR { 317} (( segid " " and resid 432 and name HB )) ( segid " " and resid 435 and name HG2%) OR { 317} (( segid " " and resid 432 and name HB )) ( segid " " and resid 436 and name HD2%) OR { 317} (( segid " " and resid 406 and name HB2 )) ( segid " " and resid 436 and name HD2%) OR { 317} (( segid " " and resid 401 and name HB3 )) ( segid " " and resid 398 and name HG2%) ASSI { 318} (( segid " " and resid 440 and name HG3 )) ( segid " " and resid 398 and name HD1%) 3.400 1.400 1.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.16732E-02 ppm1 1.338 ppm2 0.714 CV 1 OR { 318} (( segid " " and resid 399 and name HG2 )) ( segid " " and resid 402 and name HG2%) OR { 318} (( segid " " and resid 440 and name HG2 )) ( segid " " and resid 398 and name HD1%) OR { 318} (( segid " " and resid 399 and name HG2 )) ( segid " " and resid 398 and name HD1%) OR { 318} (( segid " " and resid 399 and name HG3 )) ( segid " " and resid 402 and name HG2%) OR { 318} (( segid " " and resid 399 and name HG3 )) ( segid " " and resid 398 and name HD1%) OR { 318} (( segid " " and resid 440 and name HG2 )) ( segid " " and resid 402 and name HD1%) ASSI { 319} (( segid " " and resid 409 and name HG )) ( segid " " and resid 412 and name HD2%) 3.400 1.400 1.400 peak 319 spectrum 1 weight 0.10000E+01 volume 0.16483E-02 ppm1 1.481 ppm2 0.712 CV 1 OR { 319} (( segid " " and resid 425 and name HD2 )) ( segid " " and resid 416 and name HD2%) OR { 319} (( segid " " and resid 425 and name HD3 )) ( segid " " and resid 416 and 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1 weight 0.10000E+01 volume 0.16235E-02 ppm1 2.500 ppm2 0.959 CV 1 OR { 321} (( segid " " and resid 406 and name HG3 )) ( segid " " and resid 432 and name HG1%) OR { 321} (( segid " " and resid 406 and name HG3 )) ( segid " " and resid 408 and name HD1%) OR { 321} (( segid " " and resid 406 and name HG3 )) (( segid " " and resid 398 and name HG12)) ASSI { 322} (( segid " " and resid 412 and name HB3 )) (( segid " " and resid 412 and name HG )) 2.500 0.800 0.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.45967E-02 ppm1 1.900 ppm2 1.160 CV 1 OR { 322} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 412 and name HG )) OR { 322} (( segid " " and resid 441 and name HB2 )) ( segid " " and resid 437 and name HG2%) ASSI { 323} (( segid " " and resid 409 and name HG )) ( segid " " and resid 432 and name HG2%) 3.300 1.400 1.400 peak 323 spectrum 1 weight 0.10000E+01 volume 0.15364E-02 ppm1 1.477 ppm2 1.026 CV 1 OR { 323} (( segid " " and resid 409 and name HG )) ( segid " 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0.10000E+01 volume 0.14368E-02 ppm1 2.887 ppm2 0.714 CV 1 OR { 329} (( segid " " and resid 440 and name HE3 )) ( segid " " and resid 402 and name HD1%) OR { 329} (( segid " " and resid 440 and name HE3 )) ( segid " " and resid 398 and name HD1%) OR { 329} (( segid " " and resid 440 and name HE2 )) ( segid " " and resid 398 and name HD1%) OR { 329} (( segid " " and resid 425 and name HE3 )) ( segid " " and resid 412 and name HD2%) OR { 329} (( segid " " and resid 425 and name HE2 )) ( segid " " and resid 416 and name HD2%) OR { 329} (( segid " " and resid 425 and name HE3 )) ( segid " " and resid 416 and name HD2%) ASSI { 332} (( segid " " and resid 409 and name HG )) ( segid " " and resid 432 and name HG2%) 3.600 1.600 1.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 1.483 ppm2 0.961 CV 1 OR { 332} (( segid " " and resid 409 and name HG )) ( segid " " and resid 408 and name HD1%) OR { 332} (( segid " " and resid 409 and name HG )) ( segid " " and resid 432 and name 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1 OR { 342} (( segid " " and resid 422 and name HB3 )) ( segid " " and resid 416 and name HD2%) OR { 342} (( segid " " and resid 405 and name HG2 )) (( segid " " and resid 402 and name HG13)) ASSI { 344} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 398 and name HG13)) 3.500 1.500 1.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.93305E-03 ppm1 2.762 ppm2 0.959 CV 1 OR { 344} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 398 and name HG12)) OR { 344} (( segid " " and resid 410 and name HB3 )) ( segid " " and resid 408 and name HD1%) OR { 344} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 398 and name HG13)) OR { 344} (( segid " " and resid 410 and name HB3 )) ( segid " " and resid 432 and name HG2%) ASSI { 345} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 398 and name HG13)) 3.400 1.500 1.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.90191E-03 ppm1 2.744 ppm2 0.953 CV 1 OR { 345} (( segid " " and 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spectrum 1 weight 0.10000E+01 volume 0.10805E-01 ppm1 2.178 ppm2 1.880 CV 1 OR { 356} (( segid " " and resid 406 and name HB3 )) (( segid " " and resid 406 and name HG2 )) OR { 356} (( segid " " and resid 406 and name HB3 )) (( segid " " and resid 409 and name HB3 )) OR { 356} (( segid " " and resid 445 and name HG2 )) (( segid " " and resid 444 and name HB3 )) ASSI { 358} (( segid " " and resid 445 and name HG2 )) (( segid " " and resid 445 and name HB3 )) 2.200 0.600 0.600 peak 358 spectrum 1 weight 0.10000E+01 volume 0.99210E-02 ppm1 2.204 ppm2 1.878 CV 1 OR { 358} (( segid " " and resid 393 and name HG2 )) (( segid " " and resid 393 and name HB2 )) OR { 358} (( segid " " and resid 393 and name HG3 )) (( segid " " and resid 393 and name HB2 )) ASSI { 359} (( segid " " and resid 426 and name HG2 )) (( segid " " and resid 426 and name HB2 )) 2.400 0.700 0.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.60772E-02 ppm1 2.216 ppm2 1.956 CV 1 OR { 359} (( segid " " and resid 393 and 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ASSI { 373} (( segid " " and resid 422 and name HB3 )) (( segid " " and resid 425 and name HB2 )) 3.000 1.100 1.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.13809E-02 ppm1 2.647 ppm2 1.814 CV 1 OR { 373} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 409 and name HB3 )) OR { 373} (( segid " " and resid 405 and name HG2 )) (( segid " " and resid 436 and name HB2 )) OR { 373} (( segid " " and resid 405 and name HG2 )) (( segid " " and resid 436 and name HB3 )) ASSI { 375} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 441 and name HG2 )) 2.100 0.600 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.98839E-02 ppm1 3.137 ppm2 1.533 CV 1 OR { 375} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 404 and name HG3 )) OR { 375} (( segid " " and resid 414 and name HD3 )) (( segid " " and resid 414 and name HG3 )) OR { 375} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name HG3 )) OR { 375} (( segid " " 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OR { 388} (( segid " " and resid 442 and name HE3 )) (( segid " " and resid 442 and name HD3 )) OR { 388} (( segid " " and resid 444 and name HD3 )) (( segid " " and resid 444 and name HG2 )) OR { 388} (( segid " " and resid 444 and name HD2 )) (( segid " " and resid 444 and name HG3 )) OR { 388} (( segid " " and resid 444 and name HD3 )) (( segid " " and resid 444 and name HG3 )) ASSI { 390} (( segid " " and resid 422 and name HB3 )) (( segid " " and resid 425 and name HB3 )) 3.900 1.900 1.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.87082E-03 ppm1 2.646 ppm2 1.624 CV 1 OR { 390} (( segid " " and resid 405 and name HG2 )) (( segid " " and resid 408 and name HG )) OR { 390} (( segid " " and resid 422 and name HB3 )) (( segid " " and resid 416 and name HB3 )) OR { 390} (( segid " " and resid 422 and name HB3 )) (( segid " " and resid 416 and name HG )) ASSI { 395} (( segid " " and resid 444 and name HD3 )) (( segid " " and resid 445 and name HG3 )) 3.100 1.200 1.200 peak 395 spectrum 1 weight 0.10000E+01 volume 0.86462E-03 ppm1 3.172 ppm2 2.293 CV 1 OR { 395} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 400 and name HG2 )) OR { 395} (( segid " " and resid 444 and name HD2 )) (( segid " " and resid 445 and name HG3 )) OR { 395} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 400 and name HG3 )) OR { 395} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 400 and name HG3 )) OR { 395} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 400 and name HG2 )) OR { 395} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 400 and name HG2 )) OR { 395} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 400 and name HG2 )) OR { 395} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 400 and name HG3 )) OR { 395} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 400 and name HG3 )) OR { 395} (( segid " " and resid 413 and name HB3 )) (( segid " " and resid 417 and name HG3 )) OR { 395} (( segid " " and resid 413 and name HB3 )) (( segid " " and resid 417 and name HG2 )) ASSI { 396} (( segid " " and resid 441 and name HD2 )) (( segid " " and resid 445 and name HG3 )) 3.300 1.400 1.400 peak 396 spectrum 1 weight 0.10000E+01 volume 0.84593E-03 ppm1 3.166 ppm2 2.288 CV 1 OR { 396} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 445 and name HG3 )) OR { 396} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 400 and name HG2 )) OR { 396} (( segid " " and resid 444 and name HD2 )) (( segid " " and resid 445 and name HG3 )) OR { 396} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 400 and name HG3 )) OR { 396} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 400 and name HG2 )) ASSI { 398} (( segid " " and resid 413 and name HB3 )) (( segid " " and resid 413 and name HA )) 2.600 0.800 0.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.40929E-02 ppm1 3.168 ppm2 4.171 CV 1 OR { 398} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 400 and name HA )) OR { 398} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 400 and name HA )) OR { 398} (( segid " " and resid 444 and name HD2 )) (( segid " " and resid 444 and name HA )) ASSI { 401} (( segid " " and resid 413 and name HB3 )) (( segid " " and resid 413 and name HA )) 2.700 0.900 0.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.24259E-02 ppm1 3.176 ppm2 4.110 CV 1 OR { 401} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 400 and name HA )) OR { 401} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 400 and name HA )) ASSI { 402} ( segid " " and resid 420 and name HG2%) ( segid " " and resid 420 and name HD1%) 1.800 0.400 0.400 peak 402 spectrum 1 weight 0.10000E+01 volume 0.34715E-01 ppm1 0.852 ppm2 0.716 CV 1 OR { 402} ( segid " " and resid 412 and name HD1%) ( segid " " and resid 412 and name HD2%) OR { 402} ( segid " " and resid 416 and name HD1%) ( segid " " and resid 416 and name HD2%) OR { 402} ( segid " " and resid 439 and name HD1%) ( segid " " and resid 439 and name HD2%) OR { 402} ( segid " " and resid 398 and name HG2%) ( segid " " and resid 398 and name HD1%) OR { 402} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 402 and name HG13)) OR { 402} ( segid " " and resid 436 and name HD1%) ( segid " " and resid 402 and name HD1%) ASSI { 403} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 401 and name HA )) 2.400 0.700 0.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.83908E-02 ppm1 2.291 ppm2 4.099 CV 1 OR { 403} (( segid " " and resid 431 and name HG3 )) (( segid " " and resid 431 and name HA )) OR { 403} (( segid " " and resid 400 and name HG2 )) (( segid " " and resid 400 and name HA )) OR { 403} (( segid " " and resid 400 and name HG3 )) (( segid " " and resid 400 and name HA )) OR { 403} (( segid " " and resid 401 and name HG3 )) (( segid " " and resid 401 and name HA )) OR { 403} (( segid " " and resid 431 and name HG2 )) (( segid " " and resid 431 and name HA )) ASSI { 404} ( segid " " and resid 435 and name HG2%) ( segid " " and resid 435 and name HD1%) 1.800 0.400 0.400 peak 404 spectrum 1 weight 0.10000E+01 volume 0.29838E-01 ppm1 0.850 ppm2 0.743 CV 1 OR { 404} ( segid " " and resid 420 and name HG2%) ( segid " " and resid 420 and name HD1%) OR { 404} ( segid " " and resid 412 and name HD1%) ( segid " " and resid 412 and name HD2%) OR { 404} ( segid " " and resid 416 and name HD1%) ( segid " " and resid 416 and name HD2%) OR { 404} ( segid " " and resid 443 and name HD1%) ( segid " " and resid 443 and name HD2%) OR { 404} ( segid " " and resid 439 and name HD1%) ( segid " " and resid 439 and name HD2%) OR { 404} ( segid " " and resid 398 and name HG2%) ( segid " " and resid 398 and name HD1%) OR { 404} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 402 and name HG13)) OR { 404} ( segid " " and resid 436 and name HD1%) ( segid " " and resid 402 and name HD1%) ASSI { 405} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 401 and name HA )) 2.400 0.700 0.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.73773E-02 ppm1 2.105 ppm2 4.109 CV 1 OR { 405} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 400 and name HA )) OR { 405} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 401 and name HA )) ASSI { 407} (( segid " " and resid 398 and name HG12)) ( segid " " and resid 398 and name HD1%) 2.200 0.600 0.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.10300E-01 ppm1 1.027 ppm2 0.788 CV 1 OR { 407} (( segid " " and resid 435 and name HG13)) ( segid " " and resid 435 and name HD1%) OR { 407} (( segid " " and resid 398 and name HG13)) ( segid " " and resid 398 and name HD1%) OR { 407} ( segid " " and resid 432 and name HG2%) ( segid " " and resid 409 and name HD1%) OR { 407} (( segid " " and resid 398 and name HG13)) ( segid " " and resid 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segid " " and resid 431 and name HB2 )) (( segid " " and resid 431 and name HA )) OR { 410} (( segid " " and resid 431 and name HB3 )) (( segid " " and resid 428 and name HA )) ASSI { 412} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 395 and name HA )) 2.900 1.000 1.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.36201E-02 ppm1 2.286 ppm2 3.959 CV 1 OR { 412} (( segid " " and resid 445 and name HG3 )) (( segid " " and resid 441 and name HA )) OR { 412} (( segid " " and resid 433 and name HG2 )) (( segid " " and resid 433 and name HA )) ASSI { 413} (( segid " " and resid 422 and name HB3 )) (( segid " " and resid 416 and name HA )) 2.900 1.100 1.100 peak 413 spectrum 1 weight 0.10000E+01 volume 0.35890E-02 ppm1 2.675 ppm2 4.264 CV 1 OR { 413} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 407 and name HA )) ASSI { 414} (( segid " " and resid 433 and name HB2 )) (( segid " " and resid 433 and name HA )) 2.600 0.800 0.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.35641E-02 ppm1 2.207 ppm2 3.949 CV 1 OR { 414} (( segid " " and resid 427 and name HG3 )) (( segid " " and resid 427 and name HA )) ASSI { 419} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 403 and name HA )) 2.700 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.30603E-02 ppm1 2.130 ppm2 4.035 CV 1 OR { 419} (( segid " " and resid 406 and name HB3 )) (( segid " " and resid 403 and name HA )) OR { 419} (( segid " " and resid 405 and name HG3 )) (( segid " " and resid 404 and name HA )) OR { 419} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 404 and name HA )) ASSI { 423} (( segid " " and resid 427 and name HG2 )) (( segid " " and resid 427 and name HA )) 2.800 1.000 1.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.28053E-02 ppm1 2.381 ppm2 3.980 CV 1 OR { 423} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 395 and name HA )) ASSI { 424} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 433 and name HA )) 2.700 0.900 0.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.26125E-02 ppm1 2.416 ppm2 3.961 CV 1 OR { 424} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 395 and name HA )) ASSI { 428} (( segid " " and resid 405 and name HG3 )) (( segid " " and resid 405 and name HA )) 3.000 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 2.168 ppm2 4.172 CV 1 OR { 428} (( segid " " and resid 445 and name HG2 )) (( segid " " and resid 445 and name HA )) ASSI { 432} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 395 and name HA )) 3.200 1.300 1.300 peak 432 spectrum 1 weight 0.10000E+01 volume 0.22455E-02 ppm1 2.320 ppm2 3.977 CV 1 OR { 432} (( segid " " and resid 445 and name HG3 )) (( segid " " and resid 441 and name HA )) OR { 432} (( segid " " and resid 417 and name HG3 )) (( segid " " and resid 414 and name HA )) OR { 432} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 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2.600 3.400 peak 435 spectrum 1 weight 0.10000E+01 volume 0.20838E-02 ppm1 2.643 ppm2 4.365 CV 1 OR { 435} (( segid " " and resid 405 and name HG2 )) (( segid " " and resid 410 and name HA )) ASSI { 438} (( segid " " and resid 431 and name HG3 )) (( segid " " and resid 431 and name HA )) 3.000 1.200 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.20029E-02 ppm1 2.347 ppm2 4.141 CV 1 OR { 438} (( segid " " and resid 417 and name HG3 )) (( segid " " and resid 417 and name HA )) OR { 438} (( segid " " and resid 431 and name HG2 )) (( segid " " and resid 431 and name HA )) OR { 438} (( segid " " and resid 417 and name HG2 )) (( segid " " and resid 417 and name HA )) ASSI { 441} (( segid " " and resid 445 and name HG2 )) (( segid " " and resid 445 and name HA )) 3.200 1.300 1.300 peak 441 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 2.222 ppm2 4.240 CV 1 OR { 441} (( segid " " and resid 427 and name HG3 )) (( segid " " and resid 424 and name HA )) ASSI { 447} (( segid " " and resid 406 and name HG3 )) (( segid " " and resid 403 and name HA )) 3.500 1.500 1.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.93925E-03 ppm1 2.500 ppm2 4.034 CV 1 OR { 447} (( segid " " and resid 422 and name HB2 )) (( segid " " and resid 423 and name HA )) ASSI { 449} (( segid " " and resid 412 and name HB3 )) (( segid " " and resid 412 and name HA )) 1.900 0.400 0.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.23077E-01 ppm1 1.891 ppm2 4.032 CV 1 OR { 449} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 412 and name HA )) OR { 449} (( segid " " and resid 414 and name HB2 )) (( segid " " and resid 414 and name HA )) OR { 449} (( segid " " and resid 441 and name HB2 )) (( segid " " and resid 441 and name HA )) OR { 449} (( segid " " and resid 403 and name HB2 )) (( segid " " and resid 403 and name HA )) OR { 449} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 442 and name HA )) OR { 449} (( segid " " and resid 414 and name HB3 )) (( segid " " and resid 414 and name HA )) OR { 449} (( segid " " and resid 428 and name HB3 )) (( segid " " and resid 428 and name HA )) OR { 449} (( segid " " and resid 403 and name HB3 )) (( segid " " and resid 403 and name HA )) OR { 449} (( segid " " and resid 441 and name HB3 )) (( segid " " and resid 441 and name HA )) ASSI { 450} ( segid " " and resid 423 and name HD2%) (( segid " " and resid 423 and name HA )) 1.900 0.500 0.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.23015E-01 ppm1 0.825 ppm2 4.051 CV 1 OR { 450} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 420 and name HA )) OR { 450} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 423 and name HA )) OR { 450} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 412 and name HA )) ASSI { 451} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 433 and name HA )) 2.000 0.500 0.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.19923E-01 ppm1 0.841 ppm2 3.924 CV 1 OR { 451} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 436 and name HA )) OR { 451} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 433 and name HA )) OR { 451} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 406 and name HA )) OR { 451} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 406 and name HA )) OR { 451} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 436 and name HA )) OR { 451} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 436 and name HA )) OR { 451} ( segid " " and resid 439 and name HD1%) (( segid " " and resid 439 and name HA )) ASSI { 452} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 416 and name HA )) 2.200 0.600 0.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.18636E-01 ppm1 0.840 ppm2 4.245 CV 1 OR { 452} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 437 and name HB )) OR { 452} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 421 and name HA )) OR { 452} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 416 and name HA )) OR { 452} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 405 and name HA )) OR { 452} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 437 and name HB )) OR { 452} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 407 and name HA )) ASSI { 453} ( segid " " and resid 438 and name HB% ) (( segid " " and resid 438 and name HA )) 2.000 0.500 0.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.15979E-01 ppm1 1.457 ppm2 4.045 CV 1 OR { 453} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 431 and name HA )) OR { 453} (( segid " " and resid 442 and name HG3 )) (( segid " " and resid 442 and name HA )) ASSI { 454} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 396 and name HA )) 2.100 0.500 0.500 peak 454 spectrum 1 weight 0.10000E+01 volume 0.15538E-01 ppm1 1.373 ppm2 4.012 CV 1 OR { 454} (( segid " " and resid 399 and name HG3 )) (( segid " " and resid 396 and name HA )) OR { 454} (( segid " " and resid 420 and name HG13)) (( segid " " and resid 420 and name HA )) OR { 454} (( segid " " and resid 399 and name HG2 )) (( segid " " and resid 396 and name HA )) ASSI { 458} (( segid " " and resid 423 and name HB2 )) (( segid " " and resid 423 and name HA )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.13019E-01 ppm1 1.619 ppm2 4.045 CV 1 OR { 458} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 441 and name HA )) OR { 458} (( segid " " and resid 423 and name HB3 )) (( segid " " and resid 423 and name HA )) OR { 458} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 442 and name HA )) OR { 458} (( segid " " and resid 408 and name HG )) (( segid " " and resid 408 and name HA )) OR { 458} (( segid " " and resid 434 and name HG3 )) (( segid " " and resid 431 and name HA )) OR { 458} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 438 and name HA )) OR { 458} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 442 and name HA )) OR { 458} (( segid " " and resid 399 and name HD2 )) (( segid " " and resid 396 and name HA )) ASSI { 460} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 413 and name HA )) 2.200 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.11016E-01 ppm1 0.789 ppm2 4.154 CV 1 OR { 460} ( segid " " and resid 443 and name HD2%) (( segid " " and resid 443 and name HA )) ASSI { 461} (( segid " " and resid 399 and name HB3 )) (( segid " " and resid 396 and name HA )) 2.100 0.600 0.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.10549E-01 ppm1 1.807 ppm2 4.017 CV 1 OR { 461} (( segid " " and resid 408 and name HB3 )) (( segid " " and resid 408 and name HA )) OR { 461} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 408 and name HA )) OR { 461} (( segid " " and resid 404 and name HG2 )) (( segid " " and resid 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" and resid 444 and name HG3 )) (( segid " " and resid 444 and name HA )) OR { 463} (( segid " " and resid 443 and name HB3 )) (( segid " " and resid 443 and name HA )) OR { 463} (( segid " " and resid 443 and name HB2 )) (( segid " " and resid 443 and name HA )) OR { 463} (( segid " " and resid 444 and name HG2 )) (( segid " " and resid 444 and name HA )) ASSI { 464} (( segid " " and resid 416 and name HB3 )) (( segid " " and resid 416 and name HA )) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.96414E-02 ppm1 1.694 ppm2 4.246 CV 1 OR { 464} (( segid " " and resid 408 and name HG )) (( segid " " and resid 405 and name HA )) OR { 464} (( segid " " and resid 421 and name HB2 )) (( segid " " and resid 421 and name HA )) OR { 464} (( segid " " and resid 421 and name HB3 )) (( segid " " and resid 421 and name HA )) OR { 464} (( segid " " and resid 416 and name HB2 )) (( segid " " and resid 416 and name HA )) ASSI { 465} (( segid " " and resid 417 and name HB3 )) (( segid " " and resid 417 and name HA )) 2.300 0.600 0.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.94361E-02 ppm1 2.071 ppm2 4.131 CV 1 OR { 465} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 401 and name HA )) OR { 465} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 400 and name HA )) OR { 465} (( segid " " and resid 417 and name HB2 )) (( segid " " and resid 417 and name HA )) ASSI { 466} (( segid " " and resid 408 and name HB3 )) (( segid " " and resid 408 and name HA )) 2.200 0.600 0.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.88262E-02 ppm1 1.754 ppm2 4.026 CV 1 OR { 466} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HA )) OR { 466} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 408 and name HA )) OR { 466} (( segid " " and resid 404 and name HG2 )) (( segid " " and resid 404 and name HA )) OR { 466} (( segid " " and resid 420 and name HB )) (( segid " " and resid 420 and name HA )) OR { 466} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 403 and name HA )) OR { 466} (( segid " " and resid 414 and name HG2 )) (( segid " " and resid 414 and name HA )) ASSI { 467} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 439 and name HA )) 2.500 0.800 0.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.84221E-02 ppm1 0.771 ppm2 3.918 CV 1 OR { 467} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 406 and name HA )) OR { 467} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 406 and name HA )) OR { 467} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 433 and name HA )) OR { 467} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 419 and name HA3 )) OR { 467} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 397 and name HA3 )) OR { 467} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 436 and name HA )) OR { 467} ( segid " " and resid 416 and name 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440 and name HA )) OR { 469} (( segid " " and resid 440 and name HB3 )) (( segid " " and resid 440 and name HA )) OR { 469} (( segid " " and resid 399 and name HB2 )) (( segid " " and resid 399 and name HA )) OR { 469} (( segid " " and resid 399 and name HB3 )) (( segid " " and resid 399 and name HA )) OR { 469} (( segid " " and resid 406 and name HG2 )) (( segid " " and resid 406 and name HA )) ASSI { 471} (( segid " " and resid 404 and name HB3 )) (( segid " " and resid 404 and name HA )) 2.300 0.700 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.75390E-02 ppm1 1.963 ppm2 4.038 CV 1 OR { 471} (( segid " " and resid 442 and name HB3 )) (( segid " " and resid 442 and name HA )) OR { 471} (( segid " " and resid 404 and name HB2 )) (( segid " " and resid 404 and name HA )) OR { 471} (( segid " " and resid 426 and name HB2 )) (( segid " " and resid 423 and name HA )) ASSI { 472} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 436 and name HA )) 2.300 0.700 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.74204E-02 ppm1 0.960 ppm2 3.914 CV 1 OR { 472} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 436 and name HA )) OR { 472} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 439 and name HA )) ASSI { 473} (( segid " " and resid 408 and name HG )) (( segid " " and resid 405 and name HA )) 2.300 0.700 0.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.70411E-02 ppm1 1.621 ppm2 4.241 CV 1 OR { 473} (( segid " " and resid 444 and name HG3 )) (( segid " " and resid 444 and name HA )) OR { 473} (( segid " " and resid 416 and name HG )) (( segid " " and resid 416 and name HA )) OR { 473} (( segid " " and resid 444 and name HG2 )) (( segid " " and resid 444 and name HA )) OR { 473} (( segid " " and resid 444 and name HG2 )) (( segid " " and resid 445 and name HA )) OR { 473} (( segid " " and resid 421 and name HD3 )) (( segid " " and resid 421 and name HA )) OR { 473} (( segid " " and resid 421 and name HD2 )) (( segid " " and resid 421 and name HA )) ASSI { 474} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 436 and name HA )) 2.600 0.800 0.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.69544E-02 ppm1 0.820 ppm2 3.854 CV 1 OR { 474} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 406 and name HA )) OR { 474} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 406 and name HA )) OR { 474} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 398 and name HA )) OR { 474} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 399 and name HA )) OR { 474} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 436 and name HA )) OR { 474} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 436 and name HA )) OR { 474} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 397 and name HA2 )) ASSI { 475} (( segid " " and resid 428 and name HB3 )) (( segid " " and resid 425 and name HA )) 2.200 0.600 0.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.67367E-02 ppm1 1.915 ppm2 3.924 CV 1 OR { 475} (( segid " " and resid 439 and name HB3 )) (( segid " " and resid 439 and name HA )) OR { 475} (( segid " " and resid 414 and name HB2 )) (( segid " " and resid 414 and name HA )) OR { 475} (( segid " " and resid 414 and name HB3 )) (( segid " " and resid 414 and name HA )) OR { 475} (( segid " " and resid 439 and name HB2 )) (( segid " " and resid 439 and name HA )) OR { 475} (( segid " " and resid 428 and name HB2 )) (( segid " " and resid 425 and name HA )) ASSI { 476} (( segid " " and resid 409 and name HB2 )) (( segid " " and resid 406 and name HA )) 2.400 0.700 0.700 peak 476 spectrum 1 weight 0.10000E+01 volume 0.65998E-02 ppm1 1.618 ppm2 3.922 CV 1 OR { 476} (( segid " " and resid 436 and name HG )) (( segid " " and resid 433 and name HA )) OR { 476} (( segid " " and resid 436 and name HG )) (( segid " " and resid 436 and name HA )) OR { 476} (( segid " " and resid 434 and name HG3 )) (( segid " " and resid 434 and name HA )) OR { 476} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 439 and name HA )) OR { 476} (( segid " " and resid 443 and name HB3 )) (( segid " " and resid 395 and name HA )) OR { 476} (( segid " " and resid 423 and name HB2 )) (( segid " " and resid 424 and name HB2 )) ASSI { 477} (( segid " " and resid 434 and name HB2 )) (( segid " " and resid 434 and name HA )) 2.300 0.700 0.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.62017E-02 ppm1 1.790 ppm2 3.926 CV 1 OR { 477} (( segid " " and resid 436 and name HB2 )) (( segid " " and resid 436 and name HA )) OR { 477} (( segid " " and resid 434 and name HB3 )) (( segid " " and resid 434 and name HA )) OR { 477} (( segid " " and resid 436 and name HB3 )) (( segid " " and resid 436 and name HA )) ASSI { 479} (( segid " " and resid 445 and name HB3 )) (( segid " " and resid 445 and name HA )) 2.400 0.700 0.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.58843E-02 ppm1 1.867 ppm2 4.222 CV 1 OR { 479} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 413 and name HA )) OR { 479} (( segid " " and resid 409 and name HB3 )) (( segid " " and resid 407 and name HA )) OR { 479} (( segid " " and resid 412 and name HB3 )) (( segid " " and resid 413 and name HA )) ASSI { 480} (( segid " " and resid 409 and name HB3 )) (( segid " " and resid 406 and name HA )) 2.300 0.700 0.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.56725E-02 ppm1 1.817 ppm2 3.928 CV 1 OR { 480} (( segid " " and resid 434 and name HB2 )) (( segid " " and resid 434 and name HA )) OR { 480} (( segid " " and resid 436 and name HB2 )) (( segid " " and resid 436 and name HA )) OR { 480} (( segid " " and resid 434 and name HB3 )) (( segid " " and resid 434 and name HA )) OR { 480} (( segid " " and resid 436 and name HB3 )) (( segid " " and resid 436 and name HA )) ASSI { 481} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 399 and name HA )) 2.400 0.700 0.700 peak 481 spectrum 1 weight 0.10000E+01 volume 0.56041E-02 ppm1 0.788 ppm2 3.822 CV 1 OR { 481} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 429 and name HA )) OR { 481} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 429 and name HA )) OR { 481} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 406 and name HA )) OR { 481} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 406 and name HA )) OR { 481} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HA )) ASSI { 483} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 420 and name HA )) 2.600 0.800 0.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.47522E-02 ppm1 0.775 ppm2 4.030 CV 1 OR { 483} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 403 and name HA )) OR { 483} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 433 and name HA )) OR { 483} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 397 and name HA3 )) OR { 483} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 403 and name HA )) OR { 483} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 403 and name HA )) OR { 483} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HA )) OR { 483} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 423 and name HA )) ASSI { 484} (( segid " " and resid 425 and name HB3 )) (( segid " " and resid 425 and name HA )) 2.500 0.800 0.800 peak 484 spectrum 1 weight 0.10000E+01 volume 0.45283E-02 ppm1 1.699 ppm2 3.972 CV 1 OR { 484} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HA )) OR { 484} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 425 and name HA )) OR { 484} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 403 and name HA )) OR { 484} (( segid " " and resid 414 and name HG2 )) (( segid " " and resid 414 and name HA )) OR { 484} (( segid " " and resid 428 and name HG3 )) (( segid " " and resid 425 and name HA )) ASSI { 485} (( segid " " and resid 444 and name HB3 )) (( segid " " and resid 444 and name HA )) 2.600 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.44412E-02 ppm1 1.794 ppm2 4.219 CV 1 OR { 485} (( segid " " and resid 444 and name HB2 )) (( segid " " and resid 444 and name HA )) OR { 485} (( segid " " and resid 425 and name HB2 )) (( segid " " and resid 416 and name HA )) OR { 485} (( segid " " and resid 408 and name HB3 )) (( segid " " and resid 405 and name HA )) OR { 485} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 405 and name HA )) OR { 485} (( segid " " and resid 444 and name HB3 )) (( segid " " and resid 445 and name HA )) ASSI { 486} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 420 and name HA )) 2.600 0.800 0.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.44350E-02 ppm1 0.786 ppm2 4.013 CV 1 OR { 486} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 420 and name HA )) OR { 486} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 403 and name HA )) OR { 486} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 412 and name HA )) ASSI { 487} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 440 and name HA )) 2.200 0.600 0.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.10749E-01 ppm1 0.852 ppm2 3.785 CV 1 OR { 487} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 409 and name HA )) OR { 487} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 429 and name HA )) OR { 487} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 398 and name HA )) OR { 487} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 399 and name HA )) OR { 487} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 437 and name HA )) ASSI { 488} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HA )) 2.600 0.800 0.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.43293E-02 ppm1 1.709 ppm2 4.072 CV 1 OR { 488} (( segid " " and resid 428 and name HG3 )) (( segid " " and resid 428 and name HA )) OR { 488} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 403 and name HA )) OR { 488} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 428 and name HA )) OR { 488} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 400 and name HA )) OR { 488} (( segid " " and resid 441 and name HG3 )) (( segid " " and resid 438 and name HA )) OR { 488} (( segid " " and resid 441 and name HG3 )) (( segid " " and resid 441 and name HA )) ASSI { 489} (( segid " " and resid 409 and name HB2 )) (( segid " " and resid 406 and name HA )) 2.500 0.800 0.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.42981E-02 ppm1 1.612 ppm2 3.832 CV 1 OR { 489} (( segid " " and resid 443 and name HB2 )) (( segid " " and resid 440 and name HA )) OR { 489} (( segid " " and resid 399 and name HD3 )) (( segid " " and resid 399 and name HA )) OR { 489} (( segid " " and resid 399 and name HD2 )) (( segid " " and resid 399 and name HA )) OR { 489} (( segid " " and resid 443 and name HB3 )) (( segid " " and resid 440 and name HA )) ASSI { 490} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 413 and name HA )) 2.900 1.100 1.100 peak 490 spectrum 1 weight 0.10000E+01 volume 0.42608E-02 ppm1 0.727 ppm2 4.158 CV 1 OR { 490} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 400 and name HA )) OR { 490} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 443 and name HA )) OR { 490} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 401 and name HA )) OR { 490} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 417 and name HA )) OR { 490} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 401 and name HA )) OR { 490} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 405 and name HA )) OR { 490} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 401 and name HA )) OR { 490} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 405 and name HA )) ASSI { 491} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 439 and name HA )) 2.800 1.000 1.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.40742E-02 ppm1 0.725 ppm2 3.970 CV 1 OR { 491} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 403 and name HA )) OR { 491} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 425 and name HA )) OR { 491} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 436 and name HA )) OR { 491} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 397 and name HA3 )) OR { 491} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 436 and name HA )) OR { 491} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 436 and name HA )) OR { 491} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 403 and name HA )) OR { 491} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 403 and name HA )) OR { 491} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HA )) OR { 491} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 436 and name HA )) ASSI { 493} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 398 and name HA )) 2.500 0.800 0.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.38254E-02 ppm1 2.098 ppm2 3.853 CV 1 OR { 493} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 406 and name HA )) OR { 493} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 398 and name HA )) ASSI { 494} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 398 and name HA )) 2.500 0.800 0.800 peak 494 spectrum 1 weight 0.10000E+01 volume 0.37943E-02 ppm1 2.132 ppm2 3.856 CV 1 OR { 494} (( segid " " and resid 406 and name HB3 )) (( segid " " and resid 406 and name HA )) OR { 494} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 406 and name HA )) OR { 494} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 398 and name HA )) ASSI { 495} (( segid " " and resid 414 and name HG3 )) (( segid " " and resid 414 and name HA )) 2.900 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.37819E-02 ppm1 1.523 ppm2 4.029 CV 1 OR { 495} (( segid " " and resid 404 and name HG3 )) (( segid " " and resid 404 and name HA )) ASSI { 497} (( segid " " and resid 393 and name HB3 )) (( segid " " and resid 393 and name HA )) 2.700 0.900 0.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.34025E-02 ppm1 2.038 ppm2 4.342 CV 1 OR { 497} (( segid " " and resid 395 and name HB2 )) (( segid " " and resid 394 and name HA )) ASSI { 499} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 400 and name HA )) 2.900 1.000 1.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.31785E-02 ppm1 1.739 ppm2 4.176 CV 1 OR { 499} (( segid " " and resid 429 and name HB3 )) (( segid " " and resid 413 and name HA )) OR { 499} (( segid " " and resid 404 and name HG2 )) (( segid " " and resid 401 and name HA )) OR { 499} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 400 and name HA )) OR { 499} (( segid " " and resid 429 and name HB2 )) (( segid " " and resid 413 and name HA )) ASSI { 500} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 439 and name HA )) 3.000 1.100 1.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.31349E-02 ppm1 0.722 ppm2 3.931 CV 1 OR { 500} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 425 and name HA )) OR { 500} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 436 and name HA )) OR { 500} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 397 and name HA3 )) OR { 500} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 436 and name HA )) OR { 500} ( segid " " and resid 439 and name HD2%) (( 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)) OR { 502} ( segid " " and resid 438 and name HB% ) (( segid " " and resid 439 and name HA )) OR { 502} (( segid " " and resid 409 and name HG )) (( segid " " and resid 406 and name HA )) ASSI { 504} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 412 and name HA )) 3.300 1.400 1.400 peak 504 spectrum 1 weight 0.10000E+01 volume 0.26187E-02 ppm1 0.694 ppm2 4.058 CV 1 OR { 504} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 408 and name HA )) OR { 504} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 428 and name HA )) ASSI { 505} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 431 and name HA )) 2.600 0.900 0.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.25503E-02 ppm1 1.424 ppm2 4.049 CV 1 OR { 505} (( segid " " and resid 442 and name HG2 )) (( segid " " and resid 442 and name HA )) OR { 505} (( segid " " and resid 442 and name HG3 )) (( segid " " and resid 442 and name HA )) OR { 505} (( segid " " and resid 420 and name HG13)) (( segid " " and resid 420 and name HA )) ASSI { 507} (( segid " " and resid 435 and name HG13)) (( segid " " and resid 431 and name HA )) 2.900 1.100 1.100 peak 507 spectrum 1 weight 0.10000E+01 volume 0.23823E-02 ppm1 1.031 ppm2 4.061 CV 1 OR { 507} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 431 and name HA )) OR { 507} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 431 and name HA )) ASSI { 509} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 405 and name HA )) 2.800 1.000 1.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.22953E-02 ppm1 1.973 ppm2 4.172 CV 1 OR { 509} (( segid " " and resid 405 and name HB3 )) (( segid " " and resid 405 and name HA )) OR { 509} (( segid " " and resid 404 and name HB2 )) (( segid " " and resid 401 and name HA )) ASSI { 510} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 434 and name HA )) 3.000 1.200 1.200 peak 510 spectrum 1 weight 0.10000E+01 volume 0.22517E-02 ppm1 1.424 ppm2 3.927 CV 1 OR { 510} (( segid " " and resid 425 and name HD3 )) (( segid " " and resid 425 and name HA )) OR { 510} (( segid " " and resid 425 and name HD2 )) (( segid " " and resid 425 and name HA )) OR { 510} (( segid " " and resid 429 and name HG )) (( segid " " and resid 427 and name HA )) ASSI { 511} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 409 and name HA )) 2.100 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.10711E-01 ppm1 0.695 ppm2 3.761 CV 1 OR { 511} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 399 and name HA )) OR { 511} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 398 and name HA )) ASSI { 513} (( segid " " and resid 435 and name HG13)) (( segid " " and resid 431 and name HA )) 3.000 1.100 1.100 peak 513 spectrum 1 weight 0.10000E+01 volume 0.20775E-02 ppm1 1.097 ppm2 4.122 CV 1 OR { 513} (( segid " " and resid 420 and name HG12)) (( segid " " and resid 417 and name HA )) ASSI { 514} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 405 and name HA )) 2.800 1.000 1.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.19407E-02 ppm1 2.002 ppm2 4.169 CV 1 OR { 514} (( segid " " and resid 400 and name HB2 )) (( segid " " and resid 400 and name HA )) OR { 514} (( segid " " and resid 405 and name HB3 )) (( segid " " and resid 405 and name HA )) OR { 514} (( segid " " and resid 404 and name HB2 )) (( segid " " and resid 401 and name HA )) ASSI { 515} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 409 and name HA )) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.85465E-02 ppm1 0.720 ppm2 3.789 CV 1 OR { 515} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 399 and name HA )) OR { 515} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 399 and name HA )) OR { 515} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 429 and name HA )) OR { 515} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 398 and name HA )) OR { 515} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HA )) ASSI { 516} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 405 and name HA )) 2.900 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.19345E-02 ppm1 1.958 ppm2 4.141 CV 1 OR { 516} (( segid " " and resid 405 and name HB3 )) (( segid " " and resid 405 and name HA )) OR { 516} (( segid " " and resid 404 and name HB2 )) (( segid " " and resid 401 and name HA )) OR { 516} (( segid " " and resid 404 and name HB3 )) (( segid " " and resid 401 and name HA )) ASSI { 519} (( segid " " and resid 420 and name HG12)) (( segid " " and resid 420 and name HA )) 3.200 1.300 1.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.18225E-02 ppm1 1.134 ppm2 4.055 CV 1 OR { 519} (( segid " " and resid 412 and name HG )) (( segid " " and resid 412 and name HA )) ASSI { 521} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 403 and name HA )) 3.300 1.300 1.300 peak 521 spectrum 1 weight 0.10000E+01 volume 0.16608E-02 ppm1 0.722 ppm2 4.030 CV 1 OR { 521} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 425 and name HA )) OR { 521} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 412 and name HA )) OR { 521} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 428 and name HA )) OR { 521} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 397 and name HA3 )) OR { 521} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 403 and name HA )) OR { 521} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 403 and name HA )) OR { 521} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HA )) OR { 521} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 412 and name HA )) OR { 521} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 423 and name HA )) ASSI { 522} (( segid " " and resid 433 and name HB3 )) (( segid " " and resid 433 and name HA )) 3.100 1.200 1.200 peak 522 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 2.092 ppm2 4.029 CV 1 OR { 522} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 403 and name HA )) OR { 522} (( segid " " and resid 432 and name HB )) (( segid " " and resid 433 and name HA )) OR { 522} (( segid " " and resid 445 and name HB2 )) (( segid " " and resid 441 and name HA )) OR { 522} (( segid " " and resid 445 and name HB2 )) (( segid " " and resid 446 and name HA )) ASSI { 523} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 403 and name HA )) 3.100 1.200 1.200 peak 523 spectrum 1 weight 0.10000E+01 volume 0.16172E-02 ppm1 0.728 ppm2 4.054 CV 1 OR { 523} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 400 and name HA )) OR { 523} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 403 and name HA )) OR { 523} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 403 and name HA )) OR { 523} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 412 and name HA )) OR { 523} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 423 and name HA )) ASSI { 524} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 426 and name HA )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.72588E-02 ppm1 0.615 ppm2 3.761 CV 1 OR { 524} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 429 and name HA )) ASSI { 525} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 435 and name HA )) 2.300 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.91252E-02 ppm1 0.841 ppm2 3.687 CV 1 OR { 525} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 432 and name HA )) OR { 525} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 409 and name HA )) OR { 525} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 426 and name HA )) OR { 525} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HA )) OR { 525} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 435 and name HA )) OR { 525} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 437 and name HA )) ASSI { 526} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 434 and name HA )) 3.300 1.400 1.400 peak 526 spectrum 1 weight 0.10000E+01 volume 0.15675E-02 ppm1 1.183 ppm2 3.923 CV 1 OR { 526} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 397 and name HA3 )) OR { 526} (( segid " " and resid 412 and name HG )) (( segid " " and resid 425 and name HA )) OR { 526} (( segid " " and resid 412 and name HG )) (( segid " " and resid 406 and name HA )) ASSI { 528} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 399 and name HA )) 3.500 1.500 1.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.81484E-03 ppm1 0.686 ppm2 3.846 CV 1 OR { 528} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 398 and name HA )) OR { 528} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 440 and name HA )) ASSI { 529} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 435 and name HA )) 2.300 0.700 0.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.74641E-02 ppm1 0.797 ppm2 3.751 CV 1 OR { 529} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 409 and name HA )) OR { 529} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 429 and name HA )) OR { 529} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 429 and name HA )) OR { 529} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HA )) OR { 529} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 435 and name HA )) OR { 529} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HA )) OR { 529} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 437 and name HA )) ASSI { 530} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 406 and name HA )) 3.600 1.600 1.600 peak 530 spectrum 1 weight 0.10000E+01 volume 0.13373E-02 ppm1 0.907 ppm2 3.847 CV 1 OR { 530} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 411 and name HB2 )) ASSI { 531} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 406 and name HA )) 3.500 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.13125E-02 ppm1 0.897 ppm2 3.830 CV 1 OR { 531} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 429 and name HA )) OR { 531} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 411 and name HB2 )) ASSI { 533} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 436 and name HA )) 3.200 1.300 1.300 peak 533 spectrum 1 weight 0.10000E+01 volume 0.12813E-02 ppm1 1.026 ppm2 3.950 CV 1 OR { 533} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 436 and name HA )) OR { 533} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 433 and name HA )) OR { 533} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 433 and name HA )) OR { 533} (( segid " " and resid 435 and name HG13)) (( segid " " and resid 434 and name HA )) OR { 533} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 439 and name HA )) OR { 533} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 439 and name HA )) ASSI { 535} ( segid " " and resid 438 and name HB% ) (( segid " " and resid 437 and name HB )) 3.600 1.700 1.700 peak 535 spectrum 1 weight 0.10000E+01 volume 0.12254E-02 ppm1 1.470 ppm2 4.181 CV 1 OR { 535} (( segid " " and resid 409 and name HG )) (( segid " " and resid 413 and name HA )) ASSI { 536} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 426 and name HA )) 2.800 1.000 1.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.30479E-02 ppm1 0.735 ppm2 3.712 CV 1 OR { 536} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 440 and name HA )) OR { 536} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 437 and name HA )) OR { 536} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 440 and name HA )) ASSI { 537} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 413 and name HA )) 3.100 1.200 1.200 peak 537 spectrum 1 weight 0.10000E+01 volume 0.10947E-02 ppm1 0.789 ppm2 4.229 CV 1 OR { 537} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 421 and name HA )) OR { 537} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 416 and name HA )) OR { 537} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 413 and name HA )) ASSI { 539} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 437 and name HB )) 3.700 1.700 1.700 peak 539 spectrum 1 weight 0.10000E+01 volume 0.10761E-02 ppm1 1.556 ppm2 4.246 CV 1 OR { 539} (( segid " " and resid 404 and name HG3 )) (( segid " " and resid 405 and name HA )) ASSI { 540} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HA )) 3.500 1.500 1.500 peak 540 spectrum 1 weight 0.10000E+01 volume 0.14306E-02 ppm1 0.781 ppm2 3.692 CV 1 OR { 540} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 409 and name HA )) OR { 540} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 435 and name HA )) ASSI { 541} (( segid " " and resid 412 and name HG )) (( segid " " and resid 409 and name HA )) 2.000 0.500 0.500 peak 541 spectrum 1 weight 0.10000E+01 volume 0.11787E-01 ppm1 1.179 ppm2 3.748 CV 1 OR { 541} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 437 and name HA )) ASSI { 542} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 410 and name HA )) 3.300 1.400 1.400 peak 542 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 0.819 ppm2 4.367 CV 1 OR { 542} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 393 and name HA )) OR { 542} ( segid " " and resid 443 and name HD2%) (( segid " " and resid 393 and name HA )) OR { 542} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 410 and name HA )) ASSI { 543} (( segid " " and resid 409 and name HG )) (( segid " " and resid 409 and name HA )) 2.200 0.600 0.600 peak 543 spectrum 1 weight 0.10000E+01 volume 0.77567E-02 ppm1 1.463 ppm2 3.688 CV 1 OR { 543} (( segid " " and resid 429 and name HG )) (( segid " " and resid 426 and name HA )) OR { 543} ( segid " " and resid 438 and name HB% ) (( segid " " and resid 435 and name HA )) ASSI { 544} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 440 and name HA )) 3.400 3.400 2.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.72152E-03 ppm1 0.849 ppm2 3.734 CV 1 OR { 544} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 435 and name HA )) OR { 544} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 409 and name HA )) OR { 544} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 429 and name HA )) OR { 544} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 426 and name HA )) OR { 544} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 398 and name HA )) ASSI { 545} (( segid " " and resid 425 and name HG3 )) (( segid " " and resid 412 and name HA )) 3.500 1.600 1.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.93925E-03 ppm1 1.227 ppm2 4.035 CV 1 OR { 545} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 412 and name HA )) OR { 545} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 428 and name HA )) ASSI { 546} (( segid " " and resid 426 and name HB3 )) (( segid " " and resid 426 and name HA )) 2.500 0.800 0.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.39000E-02 ppm1 1.972 ppm2 3.694 CV 1 OR { 546} (( segid " " and resid 435 and name HB )) (( segid " " and resid 435 and name HA )) OR { 546} (( segid " " and resid 426 and name HB2 )) (( segid " " and resid 426 and name HA )) ASSI { 548} (( segid " " and resid 425 and name HG3 )) (( segid " " and resid 412 and name HA )) 3.700 1.700 1.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.86462E-03 ppm1 1.241 ppm2 4.079 CV 1 OR { 548} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 412 and name HA )) OR { 548} (( segid " " and resid 425 and name HG3 )) (( segid " " and resid 428 and name HA )) OR { 548} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 428 and name HA )) ASSI { 549} (( segid " " and resid 404 and name HG3 )) (( segid " " and resid 401 and name HA )) 3.500 1.500 1.500 peak 549 spectrum 1 weight 0.10000E+01 volume 0.84593E-03 ppm1 1.533 ppm2 4.104 CV 1 OR { 549} (( segid " " and resid 414 and name HG3 )) (( segid " " and resid 413 and name HA )) OR { 549} (( segid " " and resid 404 and name HG3 )) (( segid " " and resid 403 and name HA )) ASSI { 551} (( segid " " and resid 435 and name HG12)) (( segid " " and resid 435 and name HA )) 2.800 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.26187E-02 ppm1 1.692 ppm2 3.691 CV 1 OR { 551} (( segid " " and resid 429 and name HB3 )) (( segid " " and resid 409 and name HA )) OR { 551} (( segid " " and resid 429 and name HB3 )) (( segid " " and resid 426 and name HA )) OR { 551} (( segid " " and resid 429 and name HB2 )) (( segid " " and resid 426 and name HA )) ASSI { 552} (( segid " " and resid 429 and name HB2 )) (( segid " " and resid 429 and name HA )) 2.700 0.900 0.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.24632E-02 ppm1 1.714 ppm2 3.719 CV 1 OR { 552} (( segid " " and resid 429 and name HB3 )) (( segid " " and resid 429 and name HA )) OR { 552} (( segid " " and resid 435 and name HG12)) (( segid " " and resid 435 and name HA )) ASSI { 555} (( segid " " and resid 402 and name HB )) (( segid " " and resid 402 and name HA )) 2.700 0.900 0.900 peak 555 spectrum 1 weight 0.10000E+01 volume 0.25316E-02 ppm1 1.865 ppm2 3.384 CV 1 OR { 555} (( segid " " and resid 406 and name HG2 )) (( segid " " and resid 402 and name HA )) ASSI { 558} (( segid " " and resid 405 and name HG3 )) (( segid " " and resid 402 and name HA )) 3.500 1.500 1.500 peak 558 spectrum 1 weight 0.10000E+01 volume 0.92680E-03 ppm1 2.167 ppm2 3.381 CV 1 OR { 558} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 402 and name HA )) OR { 558} (( segid " " and resid 431 and name HB2 )) (( segid " " and resid 430 and name HB3 )) OR { 558} (( segid " " and resid 406 and name HB3 )) (( segid " " and resid 402 and name HA )) ASSI { 563} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 402 and name HA )) 3.300 3.300 2.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.19096E-02 ppm1 0.899 ppm2 3.384 CV 1 OR { 563} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 430 and name HB2 )) ASSI { 565} (( segid " " and resid 428 and name HB2 )) (( segid " " and resid 428 and name HD3 )) 2.300 0.700 0.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.88203E-02 ppm1 1.878 ppm2 3.151 CV 1 OR { 565} (( segid " " and resid 403 and name HB3 )) (( segid " " and resid 403 and name HD3 )) OR { 565} (( segid " " and resid 414 and name HB3 )) (( segid " " and resid 414 and name HD2 )) OR { 565} (( segid " " and resid 428 and name HB2 )) (( segid " " and resid 428 and name HD2 )) OR { 565} (( segid " " and resid 414 and name HB2 )) (( segid " " and resid 414 and name HD2 )) OR { 565} (( segid " " and resid 403 and name HB2 )) (( segid " " and resid 403 and name HD3 )) OR { 565} (( segid " " and resid 428 and name HB3 )) (( segid " " and resid 428 and name HD2 )) OR { 565} (( segid " " and resid 428 and name HB3 )) (( segid " " and resid 428 and name HD3 )) OR { 565} (( segid " " and resid 414 and name HB2 )) (( segid " " and resid 414 and name HD3 )) OR { 565} (( segid " " and resid 403 and name HB2 )) (( segid " " and resid 403 and name HD2 )) OR { 565} (( segid " " and resid 403 and name HB3 )) (( segid " " and resid 403 and name HD2 )) OR { 565} (( segid " " and resid 414 and name HB3 )) (( segid " " and resid 414 and name HD3 )) OR { 565} (( segid " " and resid 441 and name HB3 )) (( segid " " and resid 441 and name HD2 )) OR { 565} (( segid " " and resid 441 and name HB3 )) (( segid " " and resid 441 and name HD3 )) ASSI { 568} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 441 and name HD3 )) 2.400 0.700 0.700 peak 568 spectrum 1 weight 0.10000E+01 volume 0.50819E-02 ppm1 1.582 ppm2 3.126 CV 1 OR { 568} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 442 and name HE2 )) OR { 568} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 442 and name HE3 )) OR { 568} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 442 and name HE2 )) OR { 568} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 442 and name HE3 )) ASSI { 569} (( segid " " and resid 441 and name HG3 )) (( segid " " and resid 441 and name HD3 )) 2.400 0.700 0.700 peak 569 spectrum 1 weight 0.10000E+01 volume 0.48642E-02 ppm1 1.769 ppm2 3.141 CV 1 OR { 569} (( segid " " and resid 404 and name HG2 )) (( segid " " and resid 404 and name HD3 )) OR { 569} (( segid " " and resid 404 and name HG2 )) (( segid " " and resid 404 and name HD2 )) OR { 569} (( segid " " and resid 441 and name HG3 )) (( segid " " and resid 441 and name HD2 )) ASSI { 570} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 428 and name HD2 )) 2.400 0.700 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.45718E-02 ppm1 1.730 ppm2 3.143 CV 1 OR { 570} (( segid " " and resid 414 and name HG2 )) (( segid " " and resid 414 and name HD3 )) OR { 570} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HD2 )) OR { 570} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 403 and name HD3 )) OR { 570} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 403 and name HD2 )) OR { 570} (( segid " " and resid 428 and name HG3 )) (( segid " " and resid 428 and name HD3 )) OR { 570} (( segid " " and resid 414 and name HG2 )) (( segid " " and resid 414 and name HD2 )) OR { 570} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HD3 )) OR { 570} (( segid " " and resid 428 and name HG3 )) (( segid " " and resid 428 and name HD2 )) OR { 570} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 428 and name HD3 )) ASSI { 572} (( segid " " and resid 404 and name HB3 )) (( segid " " and resid 404 and name HD3 )) 3.000 1.100 1.100 peak 572 spectrum 1 weight 0.10000E+01 volume 0.21149E-02 ppm1 1.961 ppm2 3.170 CV 1 OR { 572} (( segid " " and resid 404 and name HB3 )) (( segid " " and resid 404 and name HD2 )) OR { 572} (( segid " " and resid 404 and name HB2 )) (( segid " " and resid 404 and name HD2 )) OR { 572} (( segid " " and resid 404 and name HB2 )) (( segid " " and resid 404 and name HD3 )) OR { 572} (( segid " " and resid 442 and name HB3 )) (( segid " " and resid 442 and name HE3 )) ASSI { 576} (( segid " " and resid 421 and name HD2 )) (( segid " " and resid 421 and name HE2 )) 3.200 1.300 1.300 peak 576 spectrum 1 weight 0.10000E+01 volume 0.10077E-02 ppm1 1.607 ppm2 2.977 CV 1 OR { 576} (( segid " " and resid 421 and name HD3 )) (( segid " " and resid 421 and name HE2 )) OR { 576} (( segid " " and resid 421 and name HD2 )) (( segid " " and resid 421 and name HE3 )) OR { 576} (( segid " " and resid 421 and name HD3 )) (( segid " " and resid 421 and name HE3 )) OR { 576} (( segid " " and resid 434 and name HG3 )) (( segid " " and resid 434 and name HD3 )) ASSI { 583} (( segid " " and resid 432 and name HB )) (( segid " " and resid 405 and name HG2 )) 2.600 0.900 0.900 peak 583 spectrum 1 weight 0.10000E+01 volume 0.64689E-02 ppm1 2.084 ppm2 2.628 CV 1 OR { 583} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 405 and name HG2 )) OR { 583} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 405 and name HG2 )) ASSI { 584} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 406 and name HG3 )) 2.400 0.700 0.700 peak 584 spectrum 1 weight 0.10000E+01 volume 0.47584E-02 ppm1 2.165 ppm2 2.495 CV 1 OR { 584} (( segid " " and resid 406 and name HB3 )) (( segid " " and resid 406 and name HG3 )) OR { 584} (( segid " " and resid 433 and name HB2 )) (( segid " " and resid 433 and name HG3 )) ASSI { 590} (( segid " " and resid 425 and name HB2 )) (( segid " " and resid 422 and name HB3 )) 3.100 1.200 1.200 peak 590 spectrum 1 weight 0.10000E+01 volume 0.89571E-03 ppm1 1.806 ppm2 2.661 CV 1 OR { 590} (( segid " " and resid 420 and name HB )) (( segid " " and resid 422 and name HB3 )) ASSI { 591} (( segid " " and resid 425 and name HB3 )) (( segid " " and resid 422 and name HB3 )) 4.000 2.000 2.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.78375E-03 ppm1 1.684 ppm2 2.680 CV 1 OR { 591} (( segid " " and resid 408 and name HG )) (( segid " " and resid 405 and name HG2 )) OR { 591} (( segid " " and resid 416 and name HB3 )) (( segid " " and resid 422 and name HB3 )) OR { 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1 weight 0.10000E+01 volume 0.15612E-02 ppm1 1.367 ppm2 2.884 CV 1 OR { 595} (( segid " " and resid 440 and name HG2 )) (( segid " " and resid 440 and name HE2 )) OR { 595} (( segid " " and resid 440 and name HG3 )) (( segid " " and resid 440 and name HE3 )) OR { 595} (( segid " " and resid 421 and name HG2 )) (( segid " " and resid 421 and name HE3 )) OR { 595} (( segid " " and resid 440 and name HG3 )) (( segid " " and resid 440 and name HE2 )) OR { 595} (( segid " " and resid 421 and name HG3 )) (( segid " " and resid 421 and name HE3 )) OR { 595} (( segid " " and resid 421 and name HG3 )) (( segid " " and resid 421 and name HE2 )) ASSI { 598} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 440 and name HE2 )) 2.800 1.000 1.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.43106E-02 ppm1 0.839 ppm2 2.885 CV 1 OR { 598} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 440 and name HE3 )) OR { 598} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 425 and name HE2 )) OR { 598} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 440 and name HE3 )) OR { 598} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 425 and name HE3 )) OR { 598} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 440 and name HE2 )) OR { 598} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 440 and name HE2 )) OR { 598} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 440 and name HE3 )) ASSI { 599} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 425 and name HE2 )) 3.100 1.200 1.200 peak 599 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 0.787 ppm2 2.870 CV 1 OR { 599} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 425 and name HE3 )) OR { 599} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 440 and name HE2 )) OR { 599} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 421 and name HE3 )) OR { 599} (( 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and resid 423 and name HD2%) (( segid " " and resid 423 and name HB3 )) OR { 601} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 416 and name HB2 )) ASSI { 602} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 402 and name HB )) 1.700 0.400 0.500 peak 602 spectrum 1 weight 0.10000E+01 volume 0.37022E-01 ppm1 0.723 ppm2 1.860 CV 1 OR { 602} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 412 and name HB3 )) OR { 602} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 440 and name HB3 )) OR { 602} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 406 and name HG2 )) OR { 602} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 402 and name HB )) OR { 602} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 439 and name HB3 )) OR { 602} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 402 and name HB )) OR { 602} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 402 and name HB )) OR { 602} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 412 and name HB2 )) OR { 602} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 402 and name HB )) OR { 602} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 398 and name HB )) OR { 602} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 406 and name HG2 )) OR { 602} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 439 and name HB2 )) OR { 602} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 440 and name HB2 )) OR { 602} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 428 and name HB3 )) OR { 602} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HB )) OR { 602} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HB2 )) ASSI { 603} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 408 and name HG )) 1.700 0.400 0.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.29683E-01 ppm1 0.890 ppm2 1.632 CV 1 OR { 603} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 408 and name HG )) OR { 603} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 409 and name HB2 )) ASSI { 604} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 435 and name HG12)) 1.800 0.400 0.400 peak 604 spectrum 1 weight 0.10000E+01 volume 0.28687E-01 ppm1 0.788 ppm2 1.629 CV 1 OR { 604} ( segid " " and resid 443 and name HD2%) (( segid " " and resid 443 and name HG )) OR { 604} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HB2 )) OR { 604} ( segid " " and resid 443 and name HD2%) (( segid " " and resid 443 and name HB3 )) OR { 604} ( segid " " and resid 443 and name HD2%) (( segid " " and resid 443 and name HB2 )) OR { 604} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 409 and name HB2 )) ASSI { 605} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 398 and name HB )) 1.800 0.400 0.400 peak 605 spectrum 1 weight 0.10000E+01 volume 0.25254E-01 ppm1 0.840 ppm2 1.790 CV 1 OR { 605} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 420 and name HB )) OR { 605} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 440 and name HB3 )) OR { 605} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 436 and name HB2 )) OR { 605} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 436 and name HB3 )) OR { 605} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 409 and name HB3 )) OR { 605} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 436 and name HB3 )) OR { 605} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HB3 )) OR { 605} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 436 and name HB2 )) ASSI { 606} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 402 and name HB )) 1.800 0.400 0.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.23263E-01 ppm1 0.769 ppm2 1.876 CV 1 OR { 606} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 409 and name HB3 )) OR { 606} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 439 and name HB3 )) OR { 606} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 402 and name HB )) OR { 606} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HB3 )) OR { 606} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 402 and name HB )) OR { 606} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 406 and name HG2 )) OR { 606} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 439 and name HB2 )) OR { 606} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HB )) OR { 606} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HB2 )) ASSI { 607} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 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and resid 439 and name HD1%) (( segid " " and resid 439 and name HB2 )) OR { 608} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 435 and name HB )) OR { 608} ( segid " " and resid 439 and name HD1%) (( segid " " and resid 439 and name HB3 )) OR { 608} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 440 and name HB2 )) OR { 608} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HB3 )) OR { 608} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 412 and name HB3 )) OR { 608} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 406 and name HG2 )) ASSI { 610} (( segid " " and resid 435 and name HG13)) (( segid " " and resid 435 and name HG12)) 1.800 0.400 0.400 peak 610 spectrum 1 weight 0.10000E+01 volume 0.10574E-01 ppm1 1.033 ppm2 1.675 CV 1 OR { 610} (( segid " " and resid 435 and name HG13)) (( segid " " and resid 434 and name HG3 )) ASSI { 611} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HG )) 2.100 0.600 0.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.97783E-02 ppm1 0.809 ppm2 1.463 CV 1 OR { 611} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 409 and name HG )) OR { 611} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 409 and name HG )) ASSI { 612} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 440 and name HD2 )) 2.500 0.800 0.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.91624E-02 ppm1 0.963 ppm2 1.551 CV 1 OR { 612} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 440 and name HD3 )) OR { 612} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 440 and name HD2 )) OR { 612} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 440 and name HD3 )) OR { 612} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 436 and name HG )) ASSI { 613} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 402 and name HB )) 2.200 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.85277E-02 ppm1 0.789 ppm2 1.818 CV 1 OR { 613} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 420 and name HB )) OR { 613} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 412 and name HB2 )) OR { 613} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 409 and name HB3 )) OR { 613} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HB3 )) OR { 613} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 402 and name HB )) OR { 613} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 420 and name HB )) OR { 613} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HB )) ASSI { 614} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 433 and name HB3 )) 2.500 0.800 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.79307E-02 ppm1 0.773 ppm2 2.097 CV 1 OR { 614} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 432 and name HB )) OR { 614} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 406 and name HB2 )) OR { 614} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 406 and name HB3 )) OR { 614} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 406 and name HB2 )) OR { 614} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 406 and name HB3 )) OR { 614} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 406 and name HB2 )) OR { 614} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 401 and name HB2 )) OR { 614} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 406 and name HB2 )) OR { 614} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 406 and name HB3 )) OR { 614} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 406 and name HB3 )) OR { 614} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 406 and name HB3 )) 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{ 619} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 432 and name HB )) OR { 619} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 432 and name HB )) OR { 619} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 401 and name HB3 )) ASSI { 620} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 409 and name HB2 )) 2.400 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.67987E-02 ppm1 0.999 ppm2 1.661 CV 1 OR { 620} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 409 and name HB2 )) OR { 620} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 440 and name HD2 )) OR { 620} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 440 and name HD3 )) OR { 620} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 429 and name HB2 )) OR { 620} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 440 and name HD2 )) OR { 620} ( segid " " and resid 432 and name 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)) OR { 623} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 440 and name HB2 )) OR { 623} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 429 and name HB3 )) OR { 623} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HB2 )) OR { 623} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 436 and name HB2 )) OR { 623} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 436 and name HB2 )) ASSI { 624} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 431 and name HG3 )) 2.400 0.700 0.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.58778E-02 ppm1 0.779 ppm2 2.281 CV 1 OR { 624} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 431 and name HG2 )) OR { 624} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 401 and name HG3 )) ASSI { 625} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 408 and name HB2 )) 2.500 0.800 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.58471E-02 ppm1 0.686 ppm2 1.745 CV 1 OR { 625} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 398 and name HB )) OR { 625} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 436 and name HB3 )) OR { 625} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 429 and name HB3 )) OR { 625} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 436 and name HB2 )) OR { 625} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 429 and name HB2 )) ASSI { 626} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 409 and name HB2 )) 2.600 0.800 0.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.49574E-02 ppm1 1.023 ppm2 1.604 CV 1 OR { 626} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 409 and name HB2 )) OR { 626} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 440 and name HD2 )) OR { 626} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 440 and name HD3 )) OR { 626} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 440 and name HD2 )) OR { 626} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 436 and name HG )) OR { 626} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 440 and name HD3 )) OR { 626} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 436 and name HG )) OR { 626} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 436 and name HG )) OR { 626} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 441 and name HG2 )) ASSI { 627} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 431 and name HB2 )) 2.800 1.000 1.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.47024E-02 ppm1 1.026 ppm2 2.171 CV 1 OR { 627} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 431 and name HB2 )) OR { 627} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 433 and name HB2 )) OR { 627} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 431 and name HB3 )) OR { 627} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 431 and name HB3 )) ASSI { 628} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 440 and name HB3 )) 2.300 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.46216E-02 ppm1 0.962 ppm2 1.793 CV 1 OR { 628} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 398 and name HB )) OR { 628} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 398 and name HB )) OR { 628} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 440 and name HB3 )) OR { 628} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 440 and name HB2 )) ASSI { 629} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 406 and name HG3 )) 2.500 0.800 0.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.45843E-02 ppm1 0.769 ppm2 2.493 CV 1 OR { 629} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 406 and name HG3 )) OR { 629} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 406 and name HG3 )) OR { 629} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 422 and name HB2 )) ASSI { 630} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 433 and name HG2 )) 2.800 1.000 1.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.40804E-02 ppm1 0.845 ppm2 2.282 CV 1 OR { 630} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 426 and name HG3 )) OR { 630} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 433 and name HG2 )) OR { 630} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 426 and name HG2 )) OR { 630} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 433 and name HG2 )) OR { 630} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 431 and name HG3 )) OR { 630} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 431 and name HG2 )) OR { 630} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 401 and name HG3 )) OR { 630} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 433 and name HG2 )) OR { 630} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 426 and name HG3 )) OR { 630} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 401 and name HG2 )) ASSI { 631} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 440 and name HB3 )) 2.400 0.700 0.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.38690E-02 ppm1 1.026 ppm2 1.836 CV 1 OR { 631} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 398 and name HB )) OR { 631} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 398 and name HB )) OR { 631} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 402 and name HB )) OR { 631} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 440 and name HB3 )) OR { 631} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 440 and name HB2 )) OR { 631} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 402 and name HB )) OR { 631} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 439 and name HB3 )) OR { 631} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 439 and name HB3 )) OR { 631} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 440 and name HB2 )) ASSI { 632} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 425 and name HB2 )) 2.700 0.900 0.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.38627E-02 ppm1 0.613 ppm2 1.866 CV 1 OR { 632} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 428 and name HB3 )) OR { 632} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 428 and name HB2 )) OR { 632} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 428 and name HB3 )) OR { 632} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 428 and name HB2 )) ASSI { 633} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 433 and name HG2 )) 2.600 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.38379E-02 ppm1 0.838 ppm2 2.236 CV 1 OR { 633} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 426 and name HG3 )) OR { 633} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 433 and name HB2 )) OR { 633} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 433 and name HG2 )) OR { 633} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 431 and name HB3 )) OR { 633} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 426 and name HG2 )) OR { 633} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 433 and name HG2 )) OR { 633} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 433 and name HB2 )) OR { 633} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 433 and name HB2 )) OR { 633} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 401 and name HG3 )) OR { 633} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 433 and name HG2 )) OR { 633} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 426 and name HG3 )) OR { 633} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 431 and name HB3 )) OR { 633} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 433 and name HB2 )) ASSI { 634} (( segid " " and resid 435 and name HG13)) (( segid " " and resid 435 and name HB )) 2.500 0.800 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.37383E-02 ppm1 1.029 ppm2 1.957 CV 1 OR { 634} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 405 and name HB2 )) OR { 634} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 405 and name HB3 )) OR { 634} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 405 and name HB3 )) ASSI { 637} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 422 and name HB3 )) 2.800 1.000 1.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.33216E-02 ppm1 0.840 ppm2 2.662 CV 1 OR { 637} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 410 and name HB2 )) OR { 637} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 422 and name HB3 )) OR { 637} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 405 and name HG2 )) OR { 637} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 410 and name HB2 )) OR { 637} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 405 and name HG2 )) ASSI { 639} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 432 and name HB )) 2.800 1.000 1.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.32593E-02 ppm1 0.900 ppm2 2.095 CV 1 OR { 639} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 405 and name HG3 )) OR { 639} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 406 and name HB3 )) ASSI { 640} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 405 and name HB3 )) 3.100 1.200 1.200 peak 640 spectrum 1 weight 0.10000E+01 volume 0.32158E-02 ppm1 0.731 ppm2 2.022 CV 1 OR { 640} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 405 and name HB3 )) OR { 640} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 405 and name HB2 )) OR { 640} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 405 and name HB3 )) OR { 640} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 405 and name HB2 )) OR { 640} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 405 and name HB3 )) OR { 640} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 405 and name HB3 )) OR { 640} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 405 and name HB2 )) OR { 640} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 404 and name HB2 )) OR { 640} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 405 and name HB2 )) OR { 640} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 405 and name HB2 )) ASSI { 641} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 405 and name HG3 )) 2.700 0.900 0.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.31723E-02 ppm1 0.900 ppm2 2.164 CV 1 OR { 641} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 405 and name HG3 )) OR { 641} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 406 and name HB2 )) OR { 641} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 406 and name HB3 )) OR { 641} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 431 and name HB3 )) ASSI { 642} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 429 and name HG )) 3.100 1.200 1.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.30541E-02 ppm1 0.734 ppm2 1.449 CV 1 OR { 642} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HD2 )) OR { 642} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HD3 )) ASSI { 643} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 405 and name HB2 )) 2.700 0.900 0.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.29670E-02 ppm1 0.899 ppm2 1.973 CV 1 OR { 643} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 404 and name HB3 )) OR { 643} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 405 and name HB3 )) ASSI { 645} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 409 and name HG )) 3.200 1.200 1.200 peak 645 spectrum 1 weight 0.10000E+01 volume 0.26187E-02 ppm1 0.693 ppm2 1.453 CV 1 OR { 645} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 429 and name HG )) OR { 645} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 425 and name HD3 )) ASSI { 647} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 410 and name HB2 )) 3.000 1.100 1.100 peak 647 spectrum 1 weight 0.10000E+01 volume 0.21957E-02 ppm1 0.770 ppm2 2.628 CV 1 OR { 647} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 415 and name HB2 )) OR { 647} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 422 and name HB3 )) ASSI { 648} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 433 and name HG3 )) 2.900 1.000 1.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.21708E-02 ppm1 0.792 ppm2 2.415 CV 1 OR { 648} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 422 and name HB2 )) OR { 648} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 417 and name HG2 )) OR { 648} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 433 and name HG3 )) OR { 648} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 417 and name HG3 )) OR { 648} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 422 and name HB2 )) ASSI { 649} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 406 and name HG3 )) 3.000 1.100 1.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.21335E-02 ppm1 0.829 ppm2 2.450 CV 1 OR { 649} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 422 and name HB2 )) OR { 649} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 433 and name HG3 )) OR { 649} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 433 and name HG3 )) OR { 649} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 406 and name HG3 )) OR { 649} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 433 and name HG3 )) ASSI { 650} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 401 and name HB2 )) 3.200 1.300 1.300 peak 650 spectrum 1 weight 0.10000E+01 volume 0.21024E-02 ppm1 0.697 ppm2 2.060 CV 1 OR { 650} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 432 and name HB )) OR { 650} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 401 and name HB3 )) OR { 650} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 417 and name HB3 )) OR { 650} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 406 and name HB2 )) ASSI { 652} (( segid " " and resid 440 and name HG3 )) (( segid " " and resid 440 and name HB3 )) 2.200 0.600 0.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.89135E-02 ppm1 1.350 ppm2 1.810 CV 1 OR { 652} (( segid " " and resid 440 and name HG2 )) (( segid " " and resid 440 and name HB2 )) OR { 652} (( segid " " and resid 399 and name HG3 )) (( segid " " and resid 399 and name HB3 )) OR { 652} (( segid " " and resid 399 and name HG2 )) (( segid " " and resid 399 and name HB2 )) OR { 652} (( segid " " and resid 399 and name HG3 )) (( segid " " and resid 399 and name HB2 )) OR { 652} (( segid " " and resid 399 and name HG2 )) (( segid " " and resid 399 and name HB3 )) OR { 652} (( segid " " and resid 440 and name HG2 )) (( segid " " and resid 440 and name HB3 )) OR { 652} (( segid " " and resid 440 and name HG3 )) (( segid " " and resid 440 and name HB2 )) ASSI { 653} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 426 and name HG3 )) 3.300 1.400 1.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.19158E-02 ppm1 0.732 ppm2 2.231 CV 1 OR { 653} (( segid " " and resid 402 and name HG13)) (( segid " " and resid 406 and name HB3 )) OR { 653} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 426 and name HG2 )) OR { 653} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 406 and name HB3 )) OR { 653} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 406 and name HB3 )) OR { 653} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 406 and name HB3 )) OR { 653} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 401 and name HG3 )) ASSI { 654} (( segid " " and resid 435 and name HG13)) (( segid " " and resid 434 and name HG2 )) 3.000 1.100 1.100 peak 654 spectrum 1 weight 0.10000E+01 volume 0.18474E-02 ppm1 1.027 ppm2 1.466 CV 1 OR { 654} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 409 and name HG )) ASSI { 655} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 399 and name HE3 )) 3.000 1.100 1.100 peak 655 spectrum 1 weight 0.10000E+01 volume 0.18163E-02 ppm1 0.769 ppm2 2.742 CV 1 OR { 655} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 399 and name HE2 )) OR { 655} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 410 and name HB2 )) OR { 655} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 410 and name HB3 )) OR { 655} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 410 and name HB3 )) OR { 655} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 415 and name HB3 )) ASSI { 657} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 406 and name HG3 )) 3.500 3.500 2.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.16608E-02 ppm1 0.900 ppm2 2.499 CV 1 OR { 657} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 433 and name HG3 )) ASSI { 660} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 399 and name HE2 )) 3.000 1.200 1.200 peak 660 spectrum 1 weight 0.10000E+01 volume 0.16048E-02 ppm1 0.827 ppm2 2.765 CV 1 OR { 660} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 399 and name HE3 )) OR { 660} ( segid " " and resid 409 and name HD2%) (( segid " " and resid 410 and name HB3 )) ASSI { 662} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 416 and name HG )) 3.200 1.300 1.300 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14120E-02 ppm1 0.621 ppm2 1.624 CV 1 OR { 662} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 425 and name HB3 )) OR { 662} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 416 and name HG )) ASSI { 663} (( segid " " and resid 409 and name HG )) (( segid " " and resid 409 and name HB3 )) 2.400 0.700 0.700 peak 663 spectrum 1 weight 0.10000E+01 volume 0.72900E-02 ppm1 1.475 ppm2 1.852 CV 1 OR { 663} (( segid " " and resid 425 and name HD3 )) (( segid " " and resid 425 and name HB2 )) OR { 663} (( segid " " and resid 425 and name HD2 )) (( segid " " and resid 425 and name HB2 )) OR { 663} (( segid " " and resid 425 and name HD2 )) (( segid " " and resid 412 and name HB2 )) OR { 663} (( segid " " and resid 425 and name HD3 )) (( segid " " and resid 412 and name HB2 )) OR { 663} (( segid " " and resid 425 and name HD3 )) (( segid " " and resid 412 and name HB3 )) OR { 663} ( segid " " and resid 438 and name HB% ) (( segid " " and resid 439 and name HB2 )) OR { 663} (( segid " " and resid 429 and name HG )) (( segid " " and resid 428 and name HB2 )) OR { 663} ( segid " " and resid 438 and name HB% ) (( segid " " and resid 441 and name HB2 )) ASSI { 666} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 431 and name HG3 )) 3.300 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.88326E-03 ppm1 0.823 ppm2 2.354 CV 1 OR { 666} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 431 and name HG2 )) OR { 666} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 395 and name HG3 )) ASSI { 668} (( segid " " and resid 412 and name HG )) (( segid " " and resid 412 and name HB3 )) 2.300 0.700 0.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.67178E-02 ppm1 1.161 ppm2 1.865 CV 1 OR { 668} (( segid " " and resid 412 and name HG )) (( segid " " and resid 412 and name HB2 )) OR { 668} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 441 and name HB3 )) OR { 668} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 441 and name HB2 )) ASSI { 669} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 426 and name HG3 )) 3.600 1.600 1.600 peak 669 spectrum 1 weight 0.10000E+01 volume 0.76510E-03 ppm1 0.601 ppm2 2.257 CV 1 OR { 669} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 426 and name HG2 )) OR { 669} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 433 and name HB2 )) OR { 669} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 426 and name HG3 )) ASSI { 672} (( segid " " and resid 429 and name HG )) (( segid " " and resid 429 and name HB3 )) 2.400 0.700 0.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.52622E-02 ppm1 1.455 ppm2 1.700 CV 1 OR { 672} (( segid " " and resid 409 and name HG )) (( segid " " and resid 429 and name HB2 )) OR { 672} (( segid " " and resid 425 and name HD2 )) (( segid " " and resid 425 and name HB3 )) OR { 672} (( segid " " and resid 429 and name HG )) (( segid " " and resid 429 and name HB2 )) OR { 672} (( segid " " and resid 425 and name HD3 )) (( segid " " and resid 425 and name HB3 )) OR { 672} (( segid " " and resid 409 and name HG )) (( segid " " and resid 429 and name HB3 )) ASSI { 673} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 442 and name HB3 )) 2.700 0.900 0.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.50259E-02 ppm1 1.609 ppm2 1.971 CV 1 OR { 673} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 442 and name HB3 )) OR { 673} (( segid " " and resid 436 and name HG )) (( segid " " and resid 435 and name HB )) OR { 673} (( segid " " and resid 434 and name HG3 )) (( segid " " and resid 435 and name HB )) OR { 673} (( segid " " and resid 423 and name HB2 )) (( segid " " and resid 426 and name HB3 )) OR { 673} (( segid " " and resid 423 and name HB3 )) (( segid " " and resid 426 and name HB2 )) OR { 673} (( segid " " and resid 409 and name HB2 )) (( segid " " and resid 405 and name HB3 )) OR { 673} (( segid " " and resid 436 and name HG )) (( segid " " and resid 405 and name HB3 )) OR { 673} (( segid " " and resid 423 and name HB3 )) (( segid " " and resid 426 and name HB3 )) ASSI { 676} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 434 and name HB3 )) 2.500 0.800 0.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.38938E-02 ppm1 1.428 ppm2 1.809 CV 1 OR { 676} (( segid " " and resid 420 and name HG13)) (( segid " " and resid 420 and name HB )) OR { 676} (( segid " " and resid 425 and name HD3 )) (( segid " " and resid 425 and name HB2 )) OR { 676} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 434 and name HB2 )) OR { 676} (( segid " " and resid 425 and name HD2 )) (( segid " " and resid 425 and name HB2 )) ASSI { 678} (( segid " " and resid 439 and name HG )) (( segid " " and resid 439 and name HB2 )) 2.600 0.800 0.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.34211E-02 ppm1 1.241 ppm2 1.905 CV 1 OR { 678} (( segid " " and resid 439 and name HG )) (( segid " " and resid 439 and name HB3 )) OR { 678} (( segid " " and resid 425 and name HG3 )) (( segid " " and resid 412 and name HB2 )) OR { 678} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 412 and name HB2 )) OR { 678} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 428 and name HB2 )) ASSI { 680} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 434 and name HB3 )) 2.700 0.900 0.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.26809E-02 ppm1 1.407 ppm2 1.870 CV 1 OR { 680} (( segid " " and resid 440 and name HG3 )) (( segid " " and resid 440 and name HB3 )) OR { 680} (( segid " " and resid 440 and name HG2 )) (( segid " " and resid 440 and name HB2 )) OR { 680} (( segid " " and resid 442 and name HG3 )) (( segid " " and resid 442 and name HB2 )) OR { 680} (( segid " " and resid 442 and name HG2 )) (( segid " " and resid 442 and name HB2 )) OR { 680} (( segid " " and resid 425 and name HD3 )) (( segid " " and resid 425 and name HB2 )) OR { 680} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 434 and name HB2 )) OR { 680} (( segid " " and resid 440 and name HG2 )) (( segid " " and resid 440 and name HB3 )) OR { 680} (( segid " " and resid 440 and name HG3 )) (( segid " " and resid 440 and name HB2 )) OR { 680} (( segid " " and resid 425 and name HD2 )) (( segid " " and resid 425 and name HB2 )) OR { 680} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 399 and name HB2 )) ASSI { 681} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 434 and name HG3 )) 1.500 0.300 0.700 peak 681 spectrum 1 weight 0.10000E+01 volume 0.42502E-01 ppm1 1.426 ppm2 1.603 CV 1 OR { 681} (( segid " " and resid 442 and name HG3 )) (( segid " " and resid 442 and name HD3 )) OR { 681} (( segid " " and resid 442 and name HG2 )) (( segid " " and resid 442 and name HD2 )) OR { 681} (( segid " " and resid 442 and name HG3 )) (( segid " " and resid 442 and name HD2 )) OR { 681} (( segid " " and resid 442 and name HG2 )) (( segid " " and resid 442 and name HD3 )) ASSI { 682} (( segid " " and resid 404 and name HG3 )) (( segid " " and resid 404 and name HB2 )) 2.800 1.000 1.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.20775E-02 ppm1 1.487 ppm2 1.947 CV 1 OR { 682} (( segid " " and resid 404 and name HG3 )) (( segid " " and resid 404 and name HB3 )) OR { 682} ( segid " " and resid 438 and name HB% ) (( segid " " and resid 441 and name HB2 )) ASSI { 683} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 441 and name HG3 )) 3.000 1.100 1.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.17416E-02 ppm1 1.182 ppm2 1.761 CV 1 OR { 683} (( segid " " and resid 412 and name HG )) (( segid " " and resid 429 and name HB3 )) OR { 683} (( segid " " and resid 412 and name HG )) (( segid " " and resid 429 and name HB2 )) ASSI { 684} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 395 and name HB3 )) 3.100 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 1.381 ppm2 2.034 CV 1 OR { 684} (( segid " " and resid 420 and name HG13)) (( segid " " and resid 417 and name HB2 )) OR { 684} (( segid " " and resid 420 and name HG13)) (( segid " " and resid 417 and name HB3 )) OR { 684} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 400 and name HB2 )) OR { 684} (( segid " " and resid 399 and name HG2 )) (( segid " " and resid 400 and name HB2 )) ASSI { 685} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 441 and name HG3 )) 3.000 1.100 1.100 peak 685 spectrum 1 weight 0.10000E+01 volume 0.16359E-02 ppm1 1.187 ppm2 1.746 CV 1 OR { 685} (( segid " " and resid 412 and name HG )) (( segid " " and resid 429 and name HB3 )) ASSI { 686} (( segid " " and resid 399 and name HG3 )) (( segid " " and resid 399 and name HD2 )) 1.800 0.400 0.400 peak 686 spectrum 1 weight 0.10000E+01 volume 0.23829E-01 ppm1 1.373 ppm2 1.601 CV 1 OR { 686} (( segid " " and resid 440 and name HG3 )) (( segid " " and resid 440 and name HD2 )) OR { 686} (( segid " " and resid 421 and name HG3 )) (( segid " " and resid 421 and name HD2 )) OR { 686} (( segid " " and resid 440 and name HG2 )) (( segid " " and resid 440 and name HD3 )) OR { 686} (( segid " " and resid 399 and name HG2 )) (( segid " " and resid 399 and name HD3 )) OR { 686} (( segid " " and resid 421 and name HG2 )) (( segid " " and resid 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(( segid " " and resid 441 and name HG3 )) (( segid " " and resid 441 and name HB2 )) OR { 687} (( segid " " and resid 428 and name HG3 )) (( segid " " and resid 428 and name HB3 )) OR { 687} (( segid " " and resid 428 and name HG3 )) (( segid " " and resid 428 and name HB2 )) OR { 687} (( segid " " and resid 414 and name HG2 )) (( segid " " and resid 414 and name HB2 )) OR { 687} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HB3 )) OR { 687} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 403 and name HB2 )) ASSI { 688} (( segid " " and resid 404 and name HG3 )) (( segid " " and resid 405 and name HG3 )) 3.600 1.600 1.600 peak 688 spectrum 1 weight 0.10000E+01 volume 0.91435E-03 ppm1 1.553 ppm2 2.163 CV 1 OR { 688} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 445 and name HG2 )) ASSI { 689} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 393 and name HB3 )) 3.100 1.200 1.200 peak 689 spectrum 1 weight 0.10000E+01 volume 0.83973E-03 ppm1 1.218 ppm2 2.047 CV 1 OR { 689} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 395 and name HB2 )) OR { 689} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 395 and name HB3 )) OR { 689} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 433 and name HB3 )) OR { 689} (( segid " " and resid 425 and name HG3 )) (( segid " " and resid 427 and name HB2 )) OR { 689} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 427 and name HB2 )) OR { 689} (( segid " " and resid 425 and name HG3 )) (( segid " " and resid 427 and name HB3 )) OR { 689} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 427 and name HB3 )) ASSI { 690} (( segid " " and resid 409 and name HB2 )) (( segid " " and resid 409 and name HB3 )) 1.500 0.300 0.700 peak 690 spectrum 1 weight 0.10000E+01 volume 0.39597E-01 ppm1 1.624 ppm2 1.809 CV 1 OR { 690} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 441 and name HG3 )) OR { 690} (( segid " " and resid 444 and name HG2 )) (( segid " " and resid 444 and name HB2 )) OR { 690} (( segid " " and resid 434 and name HG3 )) (( segid " " and resid 434 and name HB2 )) OR { 690} (( segid " " and resid 444 and name HG3 )) (( segid " " and resid 444 and name HB3 )) OR { 690} (( segid " " and resid 440 and name HD3 )) (( segid " " and resid 440 and name HB2 )) OR { 690} (( segid " " and resid 408 and name HG )) (( segid " " and resid 408 and name HB3 )) OR { 690} (( segid " " and resid 436 and name HG )) (( segid " " and resid 436 and name HB2 )) OR { 690} (( segid " " and resid 440 and name HD2 )) (( segid " " and resid 440 and name HB3 )) OR { 690} (( segid " " and resid 436 and name HG )) (( segid " " and resid 436 and name HB3 )) OR { 690} (( segid " " and resid 444 and name HG2 )) (( segid " " and resid 444 and name HB3 )) OR { 690} (( segid " " and resid 444 and name HG3 )) (( segid " " and resid 444 and name HB2 )) OR { 690} (( segid " " and resid 408 and name HG )) (( segid " " and resid 408 and name HB2 )) OR { 690} (( segid " " and resid 434 and name HG3 )) (( segid " " and resid 434 and name HB3 )) OR { 690} (( segid " " and resid 440 and name HD2 )) (( segid " " and resid 440 and name HB2 )) ASSI { 691} (( segid " " and resid 425 and name HB3 )) (( segid " " and resid 425 and name HB2 )) 1.600 0.300 0.600 peak 691 spectrum 1 weight 0.10000E+01 volume 0.29085E-01 ppm1 1.675 ppm2 1.803 CV 1 OR { 691} (( segid " " and resid 444 and name HG2 )) (( segid " " and resid 444 and name HB2 )) OR { 691} (( segid " " and resid 444 and name HG3 )) (( segid " " and resid 444 and name HB3 )) OR { 691} (( segid " " and resid 408 and name HG )) (( segid " " and resid 408 and name HB3 )) OR { 691} (( segid " " and resid 444 and name HG2 )) (( segid " " and resid 444 and name HB3 )) OR { 691} (( segid " " and resid 444 and name HG3 )) (( segid " " and resid 444 and name HB2 )) OR { 691} (( segid " " and resid 408 and name HG )) (( segid " " and resid 408 and name HB2 )) ASSI { 692} ( segid " " and resid 446 and name HB% ) (( segid " " and resid 442 and name HB3 )) 3.500 1.500 1.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.74021E-03 ppm1 1.294 ppm2 2.028 CV 1 OR { 692} ( segid " " and resid 446 and name HB% ) (( segid " " and resid 445 and name HB2 )) OR { 692} (( segid " " and resid 439 and name HG )) (( segid " " and resid 401 and name HB2 )) OR { 692} (( segid " " and resid 439 and name HG )) (( segid " " and resid 401 and name HB3 )) ASSI { 693} (( segid " " and resid 404 and name HG2 )) (( segid " " and resid 404 and name HB2 )) 2.600 0.900 0.900 peak 693 spectrum 1 weight 0.10000E+01 volume 0.40991E-02 ppm1 1.784 ppm2 1.968 CV 1 OR { 693} (( segid " " and resid 404 and name HG2 )) (( segid " " and resid 404 and name HB3 )) OR { 693} (( segid " " and resid 398 and name HB )) (( segid " " and resid 439 and name HB2 )) OR { 693} (( segid " " and resid 398 and name HB )) (( segid " " and resid 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segid " " and resid 425 and name HB3 )) (( segid " " and resid 426 and name HB2 )) OR { 695} (( segid " " and resid 416 and name HB3 )) (( segid " " and resid 426 and name HB2 )) OR { 695} (( segid " " and resid 416 and name HB2 )) (( segid " " and resid 426 and name HB2 )) ASSI { 696} ( segid " " and resid 412 and name HD2%) ( segid " " and resid 412 and name HD1%) 1.700 0.400 0.500 peak 696 spectrum 1 weight 0.10000E+01 volume 0.43983E-01 ppm1 0.721 ppm2 0.847 CV 1 OR { 696} ( segid " " and resid 416 and name HD2%) ( segid " " and resid 416 and name HD1%) OR { 696} ( segid " " and resid 439 and name HD2%) ( segid " " and resid 439 and name HD1%) OR { 696} ( segid " " and resid 398 and name HD1%) ( segid " " and resid 398 and name HG2%) OR { 696} ( segid " " and resid 412 and name HD2%) ( segid " " and resid 408 and name HD1%) OR { 696} (( segid " " and resid 402 and name HG13)) ( segid " " and resid 436 and name HD1%) OR { 696} (( segid " " and resid 402 and name HG13)) ( segid " " and resid 436 and name HD2%) OR { 696} ( segid " " and resid 402 and name HD1%) ( segid " " and resid 436 and name HD1%) OR { 696} ( segid " " and resid 439 and name HD2%) ( segid " " and resid 398 and name HG2%) ASSI { 698} (( segid " " and resid 433 and name HB3 )) (( segid " " and resid 433 and name HB2 )) 1.500 0.300 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.48206E-01 ppm1 2.066 ppm2 2.206 CV 1 OR { 698} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 427 and name HG3 )) OR { 698} (( segid " " and resid 393 and name HB3 )) (( segid " " and resid 393 and name HG3 )) OR { 698} (( segid " " and resid 393 and name HB3 )) (( segid " " and resid 393 and name HG2 )) OR { 698} (( segid " " and resid 445 and name HB2 )) (( segid " " and resid 445 and name HG2 )) OR { 698} (( segid " " and resid 427 and name HB3 )) (( segid " " and resid 427 and name HG3 )) ASSI { 699} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 401 and name HG3 )) 2.000 0.500 0.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.20265E-01 ppm1 2.116 ppm2 2.280 CV 1 OR { 699} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 400 and name HG2 )) OR { 699} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 401 and name HG2 )) OR { 699} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 400 and name HG3 )) OR { 699} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 401 and name HG3 )) ASSI { 700} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 393 and name HB3 )) 1.900 0.400 0.400 peak 700 spectrum 1 weight 0.10000E+01 volume 0.11395E-01 ppm1 1.894 ppm2 2.060 CV 1 OR { 700} (( segid " " and resid 445 and name HB3 )) (( segid " " and resid 445 and name HB2 )) ASSI { 701} (( segid " " and resid 406 and name HG2 )) (( segid " " and resid 406 and name HB2 )) 2.200 0.600 0.600 peak 701 spectrum 1 weight 0.10000E+01 volume 0.10929E-01 ppm1 1.882 ppm2 2.169 CV 1 OR { 701} (( segid " " and resid 445 and name HB3 )) (( segid " " and resid 445 and name HG2 )) OR { 701} (( segid " " and resid 406 and name HG2 )) (( segid " " and resid 406 and name HB3 )) OR { 701} (( segid " " and resid 409 and name HB3 )) (( segid " " and resid 406 and name HB3 )) ASSI { 702} (( segid " " and resid 426 and name HB2 )) (( segid " " and resid 426 and name HG2 )) 2.200 0.600 0.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.10779E-01 ppm1 1.970 ppm2 2.165 CV 1 OR { 702} (( segid " " and resid 405 and name HB3 )) (( segid " " and resid 405 and name HG3 )) OR { 702} (( segid " " and resid 426 and name HB3 )) (( segid " " and resid 426 and name HG3 )) OR { 702} (( segid " " and resid 426 and name HB3 )) (( segid " " and resid 426 and name HG2 )) OR { 702} (( segid " " and resid 426 and name HB2 )) (( segid " " and resid 426 and name HG3 )) OR { 702} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 405 and name HG3 )) ASSI { 703} (( segid " " and resid 417 and name HB2 )) (( segid " " and resid 417 and name HG2 )) 2.200 0.600 0.600 peak 703 spectrum 1 weight 0.10000E+01 volume 0.10170E-01 ppm1 2.078 ppm2 2.348 CV 1 OR { 703} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 401 and name HG3 )) OR { 703} (( segid " " and resid 395 and name HB2 )) (( segid " " and resid 395 and name HG3 )) OR { 703} (( segid " " and resid 395 and name HB3 )) (( segid " " and resid 395 and name HG2 )) OR { 703} (( segid " " and resid 395 and name HB3 )) (( segid " " and resid 395 and name HG3 )) OR { 703} (( segid " " and resid 417 and name HB3 )) (( segid " " and resid 417 and name HG3 )) OR { 703} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 400 and name HG2 )) OR { 703} (( segid " " and resid 445 and name HB2 )) (( segid " " and resid 445 and name HG3 )) OR { 703} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 400 and name HG3 )) OR { 703} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 401 and name HG3 )) OR { 703} (( segid " " and resid 417 and name HB2 )) (( segid " " and resid 417 and name HG3 )) OR { 703} (( segid " " and resid 395 and name HB2 )) (( segid " " and resid 395 and name HG2 )) ASSI { 704} (( segid " " and resid 426 and name HB2 )) (( segid " " and resid 426 and name HG2 )) 2.200 0.600 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.91064E-02 ppm1 1.954 ppm2 2.186 CV 1 OR { 704} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 393 and name HG2 )) OR { 704} (( segid " " and resid 426 and name HB3 )) (( segid " " and resid 426 and name HG3 )) OR { 704} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 393 and name HG3 )) OR { 704} (( segid " " and resid 426 and name HB3 )) (( segid " " and resid 426 and name HG2 )) OR { 704} (( segid " " and resid 426 and name HB2 )) (( segid " " and resid 426 and name HG3 )) OR { 704} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 405 and name HG3 )) ASSI { 705} (( segid " " and resid 417 and name HB2 )) (( segid " " and resid 417 and name HG2 )) 2.300 2.300 3.700 peak 705 spectrum 1 weight 0.10000E+01 volume 0.85153E-02 ppm1 2.064 ppm2 2.343 CV 1 OR { 705} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 401 and name HG3 )) OR { 705} (( segid " " and resid 395 and name HB2 )) (( segid " " and resid 395 and name HG3 )) OR { 705} (( segid " " and resid 395 and name HB3 )) (( segid " " and resid 395 and name HG2 )) OR { 705} (( segid " " and resid 395 and name HB3 )) (( segid " " and resid 395 and name HG3 )) OR { 705} (( segid " " and resid 400 and name HB2 )) (( segid " " and resid 400 and name HG3 )) OR { 705} (( segid " " and resid 417 and name HB3 )) (( segid " " and resid 417 and name HG3 )) OR { 705} (( segid " " and resid 427 and name HB3 )) (( segid " " and resid 427 and name HG2 )) OR { 705} (( segid " " and resid 445 and name HB2 )) (( segid " " and resid 445 and name HG3 )) OR { 705} (( segid " " and resid 400 and name HB2 )) (( segid " " and resid 400 and name HG2 )) OR { 705} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 401 and name HG3 )) OR { 705} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 427 and name HG2 )) OR { 705} (( segid " " and resid 417 and name HB2 )) (( segid " " and resid 417 and name HG3 )) OR { 705} (( segid " " and resid 395 and name HB2 )) (( segid " " and resid 395 and name HG2 )) ASSI { 706} (( segid " " and resid 406 and name HG2 )) (( segid " " and resid 406 and name HB2 )) 2.500 0.800 0.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.62949E-02 ppm1 1.910 ppm2 2.156 CV 1 OR { 706} (( segid " " and resid 445 and name HB3 )) (( segid " " and resid 445 and name HG2 )) OR { 706} (( segid " " and resid 406 and name HG2 )) (( segid " " and resid 406 and name HB3 )) ASSI { 707} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 420 and name HG12)) 2.000 0.500 0.500 peak 707 spectrum 1 weight 0.10000E+01 volume 0.16142E-01 ppm1 0.782 ppm2 1.105 CV 1 OR { 707} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 435 and name HG13)) ASSI { 708} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 435 and name HG13)) 2.100 0.500 0.500 peak 708 spectrum 1 weight 0.10000E+01 volume 0.12739E-01 ppm1 0.792 ppm2 1.033 CV 1 OR { 708} ( segid " " and resid 409 and name HD1%) ( segid " " and resid 432 and name HG2%) OR { 708} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HG13)) OR { 708} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HG12)) ASSI { 709} (( segid " " and resid 417 and name HB2 )) (( segid " " and resid 417 and name HG2 )) 2.700 0.900 0.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.36388E-02 ppm1 2.045 ppm2 2.398 CV 1 OR { 709} (( segid " " and resid 395 and name HB2 )) (( segid " " and resid 395 and name HG3 )) OR { 709} (( segid " " and resid 395 and name HB3 )) (( segid " " and resid 395 and name HG3 )) OR { 709} (( segid " " and resid 417 and name HB3 )) (( segid " " and resid 417 and name HG3 )) OR { 709} (( segid " " and resid 427 and name HB3 )) (( segid " " and resid 427 and name HG2 )) OR { 709} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 427 and name HG2 )) OR { 709} (( segid " " and resid 417 and name HB2 )) (( segid " " and resid 417 and name HG3 )) ASSI { 710} (( segid " " and resid 400 and name HB2 )) (( segid " " and resid 400 and name HG3 )) 2.700 0.900 0.900 peak 710 spectrum 1 weight 0.10000E+01 volume 0.32967E-02 ppm1 1.999 ppm2 2.355 CV 1 OR { 710} (( segid " " and resid 427 and name HB3 )) (( segid " " and resid 427 and name HG2 )) OR { 710} (( segid " " and resid 400 and name HB2 )) (( segid " " and resid 400 and name HG2 )) OR { 710} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 427 and name HG2 )) ASSI { 711} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 420 and name HG12)) 2.000 0.500 0.500 peak 711 spectrum 1 weight 0.10000E+01 volume 0.12023E-01 ppm1 0.786 ppm2 1.124 CV 1 OR { 711} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 435 and name HG13)) OR { 711} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 412 and name HG )) ASSI { 712} ( segid " " and resid 439 and name HD1%) (( segid " " and resid 439 and name HG )) 2.100 0.500 0.500 peak 712 spectrum 1 weight 0.10000E+01 volume 0.11600E-01 ppm1 0.849 ppm2 1.274 CV 1 OR { 712} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 439 and name HG )) ASSI { 714} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 393 and name HG2 )) 2.900 1.100 1.100 peak 714 spectrum 1 weight 0.10000E+01 volume 0.22330E-02 ppm1 1.900 ppm2 2.279 CV 1 OR { 714} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 393 and name HG3 )) OR { 714} (( segid " " and resid 445 and name HB3 )) (( segid " " and resid 445 and name HG3 )) ASSI { 715} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 398 and name HG12)) 2.100 0.500 0.500 peak 715 spectrum 1 weight 0.10000E+01 volume 0.10873E-01 ppm1 0.729 ppm2 0.981 CV 1 OR { 715} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 398 and name HG13)) OR { 715} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HG13)) OR { 715} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HG12)) ASSI { 716} ( segid " " and resid 429 and name HD2%) ( segid " " and resid 416 and name HD2%) 2.100 0.500 0.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.14400E-01 ppm1 0.614 ppm2 0.802 CV 1 OR { 716} ( segid " " and resid 429 and name HD2%) ( segid " " and resid 412 and name HD1%) OR { 716} ( segid " " and resid 429 and name HD2%) ( segid " " and resid 416 and name HD1%) OR { 716} ( segid " " and resid 429 and name HD1%) ( segid " " and resid 412 and name HD1%) ASSI { 718} ( segid " " and resid 429 and name HD2%) ( segid " " and resid 416 and name HD2%) 3.100 1.200 1.200 peak 718 spectrum 1 weight 0.10000E+01 volume 0.17479E-02 ppm1 0.615 ppm2 0.753 CV 1 OR { 718} ( segid " " and resid 429 and name HD1%) ( segid " " and resid 409 and name HD1%) OR { 718} ( segid " " and resid 429 and name HD1%) ( segid " " and resid 409 and name HD2%) OR { 718} ( segid " " and resid 429 and name HD2%) ( segid " " and resid 409 and name HD1%) OR { 718} ( segid " " and resid 429 and name HD2%) ( segid " " and resid 412 and name HD2%) ASSI { 719} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 439 and name HG )) 2.200 0.600 0.600 peak 719 spectrum 1 weight 0.10000E+01 volume 0.81920E-02 ppm1 0.723 ppm2 1.274 CV 1 OR { 719} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HG3 )) ASSI { 720} ( segid " " and resid 412 and name HD2%) ( segid " " and resid 412 and name HD1%) 2.000 0.500 0.500 peak 720 spectrum 1 weight 0.10000E+01 volume 0.18194E-01 ppm1 0.686 ppm2 0.824 CV 1 OR { 720} ( segid " " and resid 398 and name HD1%) ( segid " " and resid 398 and name HG2%) OR { 720} ( segid " " and resid 398 and name HD1%) ( segid " " and resid 402 and name HG2%) OR { 720} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 402 and name HG13)) ASSI { 722} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 420 and name HG13)) 2.400 0.700 0.700 peak 722 spectrum 1 weight 0.10000E+01 volume 0.68795E-02 ppm1 0.818 ppm2 1.393 CV 1 OR { 722} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 420 and name HG13)) OR { 722} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 429 and name HG )) OR { 722} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 440 and name HG2 )) OR { 722} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 429 and name HG )) ASSI { 723} (( segid " " and resid 398 and name HB )) (( segid " " and resid 401 and name HB2 )) 3.500 1.600 1.600 peak 723 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 1.783 ppm2 2.155 CV 1 OR { 723} (( segid " " and resid 444 and name HB2 )) (( segid " " and resid 445 and name HG2 )) OR { 723} (( segid " " and resid 398 and name HB )) (( segid " " and resid 401 and name HB3 )) OR { 723} (( segid " " and resid 441 and name HG3 )) (( segid " " and resid 445 and name HG2 )) OR { 723} (( segid " " and resid 444 and name HB3 )) (( segid " " and resid 445 and name HG2 )) ASSI { 724} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 420 and name HG13)) 2.600 0.800 0.800 peak 724 spectrum 1 weight 0.10000E+01 volume 0.64005E-02 ppm1 0.838 ppm2 1.388 CV 1 OR { 724} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 429 and name HG )) OR { 724} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 440 and name HG3 )) OR { 724} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 399 and name HG3 )) OR { 724} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 399 and name HG2 )) OR { 724} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 440 and name HG2 )) OR { 724} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 429 and name HG )) OR { 724} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 429 and name HG )) OR { 724} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 440 and name HG2 )) ASSI { 725} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 412 and name HG )) 2.300 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.61144E-02 ppm1 0.828 ppm2 1.150 CV 1 OR { 725} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 420 and name HG12)) ASSI { 726} (( segid " " and resid 399 and name HB2 )) (( segid " " and resid 400 and name HB3 )) 3.800 1.800 1.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.72152E-03 ppm1 1.808 ppm2 2.147 CV 1 OR { 726} (( segid " " and resid 398 and name HB )) (( segid " " and resid 401 and name HB2 )) OR { 726} (( segid " " and resid 444 and name HB2 )) (( segid " " and resid 445 and name HG2 )) OR { 726} (( segid " " and resid 399 and name HB3 )) (( segid " " and resid 400 and name HB3 )) OR { 726} (( segid " " and resid 398 and name HB )) (( segid " " and resid 401 and name HB3 )) OR { 726} (( segid " " and resid 404 and name HG2 )) (( segid " " and resid 405 and name HG3 )) OR { 726} (( segid " " and resid 444 and name HB3 )) (( segid " " and resid 445 and name HG2 )) OR { 726} (( segid " " and resid 434 and name HB3 )) (( segid " " and resid 431 and name HB2 )) ASSI { 727} ( segid " " and resid 412 and name HD2%) ( segid " " and resid 412 and name HD1%) 2.400 0.700 0.700 peak 727 spectrum 1 weight 0.10000E+01 volume 0.47895E-02 ppm1 0.685 ppm2 0.890 CV 1 OR { 727} ( segid " " and resid 398 and name HD1%) ( segid " " and resid 398 and name HG2%) OR { 727} ( segid " " and resid 412 and name HD2%) ( segid " " and resid 408 and name HD1%) ASSI { 729} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 440 and name HG3 )) 3.000 1.100 1.100 peak 729 spectrum 1 weight 0.10000E+01 volume 0.33527E-02 ppm1 0.728 ppm2 1.359 CV 1 OR { 729} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 440 and name HG2 )) OR { 729} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 440 and name HG3 )) OR { 729} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 399 and name HG2 )) OR { 729} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 399 and name HG3 )) OR { 729} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 440 and name HG2 )) OR { 729} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 440 and name HG3 )) OR { 729} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 440 and name HG2 )) ASSI { 731} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 440 and name HG3 )) 3.600 1.700 1.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.13062E-02 ppm1 0.694 ppm2 1.388 CV 1 OR { 731} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 440 and name HG2 )) OR { 731} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 399 and name HG3 )) OR { 731} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 429 and name HG )) ASSI { 734} (( segid " " and resid 425 and name HB2 )) (( segid " " and resid 425 and name HB3 )) 1.600 0.300 0.600 peak 734 spectrum 1 weight 0.10000E+01 volume 0.41252E-01 ppm1 1.789 ppm2 1.619 CV 1 OR { 734} (( segid " " and resid 444 and name HB2 )) (( segid " " and resid 444 and name HG2 )) OR { 734} (( segid " " and resid 434 and name HB2 )) (( segid " " and resid 434 and name HG3 )) OR { 734} (( segid " " and resid 444 and name HB3 )) (( segid " " and resid 444 and name HG3 )) OR { 734} (( segid " " and resid 440 and name HB2 )) (( segid " " and resid 440 and name HD3 )) OR { 734} (( segid " " and resid 408 and name HB3 )) (( segid " " and resid 408 and name HG )) OR { 734} (( segid " " and resid 436 and name HB2 )) (( segid " " and resid 436 and name HG )) OR { 734} (( segid " " and resid 440 and name HB3 )) (( segid " " and resid 440 and name HD2 )) OR { 734} (( segid " " and resid 436 and name HB3 )) (( segid " " and resid 436 and name HG )) OR { 734} (( segid " " and resid 444 and name HB3 )) (( segid " " and resid 444 and name HG2 )) OR { 734} (( segid " " and resid 444 and name HB2 )) (( segid " " and resid 444 and name HG3 )) OR { 734} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 408 and name HG )) OR { 734} (( segid " " and resid 434 and name HB3 )) (( segid " " and resid 434 and name HG3 )) OR { 734} (( segid " " and resid 440 and name HB2 )) (( segid " " and resid 440 and name HD2 )) ASSI { 735} (( segid " " and resid 441 and name HB3 )) (( segid " " and resid 441 and name HG3 )) 1.600 0.300 0.600 peak 735 spectrum 1 weight 0.10000E+01 volume 0.48113E-01 ppm1 1.881 ppm2 1.720 CV 1 OR { 735} (( segid " " and resid 428 and name HB3 )) (( segid " " and resid 428 and name HG2 )) OR { 735} (( segid " " and resid 403 and name HB2 )) (( segid " " and resid 403 and name HG2 )) OR { 735} (( segid " " and resid 414 and name HB3 )) (( segid " " and resid 414 and name HG2 )) OR { 735} (( segid " " and resid 403 and name HB3 )) (( segid " " and resid 403 and name HG3 )) OR { 735} (( segid " " and resid 441 and name HB2 )) (( segid " " and resid 441 and name HG3 )) OR { 735} (( segid " " and resid 428 and name HB2 )) (( segid " " and resid 428 and name HG2 )) OR { 735} (( segid " " and resid 428 and name HB3 )) (( segid " " and resid 428 and name HG3 )) OR { 735} (( segid " " and resid 428 and name HB2 )) (( segid " " and resid 428 and name HG3 )) OR { 735} (( segid " " and resid 414 and name HB2 )) (( segid " " and resid 414 and name HG2 )) OR { 735} (( segid " " and resid 403 and name HB3 )) (( segid " " and resid 403 and name HG2 )) OR { 735} (( segid " " and resid 403 and name HB2 )) (( segid " " and resid 403 and name HG3 )) ASSI { 736} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HB3 )) 2.500 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.78994E-02 ppm1 7.690 ppm2 1.975 CV 1 OR { 736} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name HB2 )) OR { 736} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name HB3 )) OR { 736} (( segid " " and resid 428 and name H )) (( segid " " and resid 426 and name HB3 )) ASSI { 2} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 401 and name HG2 )) 4.500 2.600 1.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.17283E-03 ppm1 7.301 ppm2 2.266 CV 1 OR { 2} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 401 and name HG3 )) OR { 2} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 431 and name HG2 )) OR { 2} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 431 and name HG3 )) ASSI { 7} (( segid " " and resid 405 and name HE21)) (( segid " " and resid 405 and name HB2 )) 4.500 2.600 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.14358E-03 ppm1 6.150 ppm2 1.946 CV 1 OR { 7} (( segid " " and resid 405 and name HE21)) (( segid " " and resid 405 and name HB3 )) OR { 7} (( segid " " and resid 405 and name HE21)) (( segid " " and resid 435 and name HB )) ASSI { 14} (( segid " " and resid 438 and name H )) (( segid " " and resid 441 and name HG2 )) 4.200 2.200 1.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.26323E-03 ppm1 7.614 ppm2 1.624 CV 1 OR { 14} (( segid " " and resid 438 and name H )) (( segid " " and resid 436 and name HG )) OR { 14} (( segid " " and resid 438 and name H )) (( segid " " and resid 442 and name HD3 )) OR { 14} (( segid " " and resid 438 and name H )) (( segid " " and resid 440 and name HD2 )) OR { 14} (( segid " " and resid 438 and name H )) (( segid " " and resid 442 and name HD2 )) OR { 14} (( segid " " and resid 438 and name H )) (( segid " " and resid 440 and name HD3 )) ASSI { 16} (( segid " " and resid 438 and name H )) ( segid " " and resid 435 and name HG2%) 5.400 3.700 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.10370E-03 ppm1 7.616 ppm2 0.819 CV 1 OR { 16} (( segid " " and resid 438 and name H )) ( segid " " and resid 439 and name HD2%) OR { 16} (( segid " " and resid 438 and name H )) ( segid " " and resid 436 and name HD1%) OR { 16} (( segid " " and resid 438 and name H )) ( segid " " and resid 439 and name HD1%) ASSI { 17} (( segid " " and resid 398 and name H )) (( segid " " and resid 401 and name HB2 )) 5.500 3.800 0.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.93063E-04 ppm1 8.026 ppm2 2.076 CV 1 OR { 17} (( segid " " and resid 398 and name H )) (( segid " " and resid 401 and name HB3 )) OR { 17} (( segid " " and resid 398 and name H )) (( segid " " and resid 400 and name HB3 )) ASSI { 18} (( segid " " and resid 398 and name H )) (( segid " " and resid 443 and name HG )) 3.200 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.25260E-02 ppm1 8.023 ppm2 1.653 CV 1 OR { 18} (( segid " " and resid 398 and name H )) (( segid " " and resid 443 and name HB3 )) OR { 18} (( segid " " and resid 398 and name H )) (( segid " " and resid 443 and name HB2 )) OR { 18} (( segid " " and resid 398 and name H )) (( segid " " and resid 399 and name HD3 )) OR { 18} (( segid " " and resid 398 and name H )) (( segid " " and resid 399 and name HD2 )) OR { 18} (( segid " " and resid 398 and name H )) (( segid " " and resid 440 and name HD2 )) ASSI { 21} (( segid " " and resid 412 and name H )) (( segid " " and resid 408 and name HB2 )) 2.900 1.100 1.100 peak 21 spectrum 1 weight 0.10000E+01 volume 0.31668E-02 ppm1 8.188 ppm2 1.755 CV 1 OR { 21} (( segid " " and resid 412 and name H )) (( segid " " and resid 429 and name HB3 )) OR { 21} (( segid " " and resid 412 and name H )) (( segid " " and resid 429 and name HB2 )) ASSI { 22} (( segid " " and resid 412 and name H )) ( segid " " and resid 412 and name HD1%) 4.200 2.200 1.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.69662E-03 ppm1 8.186 ppm2 0.834 CV 1 OR { 22} (( segid " " and resid 412 and name H )) ( segid " " and resid 408 and name HD1%) ASSI { 28} (( segid " " and resid 429 and name H )) (( segid " " and resid 427 and name HB3 )) 4.600 2.600 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.19942E-03 ppm1 7.987 ppm2 2.050 CV 1 OR { 28} (( segid " " and resid 429 and name H )) (( segid " " and resid 433 and name HB3 )) OR { 28} (( segid " " and resid 429 and name H )) (( segid " " and resid 432 and name HB )) ASSI { 31} (( segid " " and resid 434 and name H )) ( segid " " and resid 435 and name HD1%) 6.000 4.400 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.77109E-04 ppm1 7.929 ppm2 0.799 CV 1 OR { 31} (( segid " " and resid 434 and name H )) ( segid " " and resid 436 and name HD2%) OR { 31} (( segid " " and resid 434 and name H )) ( segid " " and resid 409 and name HD1%) OR { 31} (( segid " " and resid 434 and name H )) ( segid " " and resid 435 and name HG2%) ASSI { 32} (( segid " " and resid 432 and name H )) ( segid " " and resid 435 and name HD1%) 5.000 3.100 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.18347E-03 ppm1 8.377 ppm2 0.849 CV 1 OR { 32} (( segid " " and resid 432 and name H )) ( segid " " and resid 409 and name HD1%) OR { 32} (( segid " " and resid 432 and name H )) ( segid " " and resid 408 and name HD1%) ASSI { 36} (( segid " " and resid 420 and name H )) (( segid " " and resid 421 and name HA )) 4.900 3.000 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.11433E-03 ppm1 7.629 ppm2 4.244 CV 1 OR { 36} (( segid " " and resid 420 and name H )) (( segid " " and resid 416 and name HA )) ASSI { 38} (( segid " " and resid 431 and name H )) (( segid " " and resid 428 and name HB3 )) 3.200 1.300 1.300 peak 38 spectrum 1 weight 0.10000E+01 volume 0.12869E-02 ppm1 7.944 ppm2 1.881 CV 1 OR { 38} (( segid " " and resid 431 and name H )) (( segid " " and resid 434 and name HB3 )) OR { 38} (( segid " " and resid 431 and name H )) (( segid " " and resid 434 and name HB2 )) ASSI { 42} (( segid " " and resid 400 and name H )) ( segid " " and resid 396 and name HB% ) 5.100 3.200 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.16485E-03 ppm1 7.944 ppm2 1.381 CV 1 OR { 42} (( segid " " and resid 431 and name H )) (( segid " " and resid 429 and name HG )) OR { 42} (( segid " " and resid 400 and name H )) (( segid " " and resid 399 and name HG2 )) OR { 42} (( segid " " and resid 431 and name H )) (( segid " " and resid 434 and name HG2 )) OR { 42} (( segid " " and resid 400 and name H )) (( segid " " and resid 399 and name HG3 )) ASSI { 43} (( segid " " and resid 400 and name H )) ( segid " " and resid 398 and name HG2%) 4.300 2.300 1.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.42011E-03 ppm1 7.935 ppm2 0.833 CV 1 OR { 43} (( segid " " and resid 415 and name H )) ( segid " " and resid 412 and name HD1%) OR { 43} (( segid " " and resid 415 and name H )) ( segid " " and resid 416 and name HD1%) OR { 43} (( segid " " and resid 431 and name H )) ( segid " " and resid 409 and name HD1%) OR { 43} (( segid " " and resid 431 and name H )) ( segid " " and resid 435 and name HD1%) ASSI { 46} (( segid " " and resid 426 and name H )) ( segid " " and resid 416 and name HD1%) 3.600 1.700 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.79237E-03 ppm1 7.984 ppm2 0.839 CV 1 OR { 46} (( segid " " and resid 426 and name H )) ( segid " " and resid 412 and name HD1%) ASSI { 47} (( segid " " and resid 416 and name H )) (( segid " " and resid 416 and name HA )) 2.800 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.22973E-02 ppm1 7.757 ppm2 4.235 CV 1 OR { 47} (( segid " " and resid 416 and name H )) (( segid " " and resid 413 and name HA )) ASSI { 48} (( segid " " and resid 417 and name H )) ( segid " " and resid 416 and name HD1%) 4.700 2.800 1.300 peak 48 spectrum 1 weight 0.10000E+01 volume 0.11433E-03 ppm1 7.786 ppm2 0.820 CV 1 OR { 48} (( segid " " and resid 417 and name H )) ( segid " " and resid 420 and name HD1%) OR { 48} (( segid " " and resid 417 and name H )) ( segid " " and resid 420 and name HG2%) ASSI { 50} (( segid " " and resid 405 and name H )) (( segid " " and resid 403 and name H )) 4.800 2.800 1.200 peak 50 spectrum 1 weight 0.10000E+01 volume 0.13294E-03 ppm1 8.454 ppm2 7.734 CV 1 OR { 50} (( segid " " and resid 405 and name H )) (( segid " " and resid 408 and name H )) ASSI { 54} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HD2 )) 3.000 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.17576E-02 ppm1 7.688 ppm2 1.602 CV 1 OR { 54} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HD3 )) OR { 54} (( segid " " and resid 442 and name H )) (( segid " " and resid 441 and name HG2 )) ASSI { 55} (( segid " " and resid 442 and name H )) ( segid " " and resid 443 and name HD2%) 4.400 2.400 1.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.34566E-03 ppm1 7.688 ppm2 0.840 CV 1 OR { 55} (( segid " " and resid 442 and name H )) ( segid " " and resid 443 and name HD1%) OR { 55} (( segid " " and resid 442 and name H )) ( segid " " and resid 439 and name HD1%) ASSI { 56} (( segid " " and resid 443 and name H )) ( segid " " and resid 439 and name HD2%) 3.100 3.100 2.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.57167E-03 ppm1 7.642 ppm2 0.728 CV 1 OR { 56} (( segid " " and resid 443 and name H )) ( segid " " and resid 398 and name HD1%) ASSI { 60} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HA )) 2.400 0.700 0.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.60249E-02 ppm1 7.723 ppm2 4.176 CV 1 OR { 60} (( segid " " and resid 444 and name H )) (( segid " " and resid 443 and name HA )) ASSI { 61} (( segid " " and resid 427 and name H )) (( segid " " and resid 423 and name HA )) 4.200 2.200 1.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.49190E-03 ppm1 7.986 ppm2 4.070 CV 1 OR { 61} (( segid " " and resid 427 and name H )) (( segid " " and resid 428 and name HA )) ASSI { 62} (( segid " " and resid 427 and name H )) ( segid " " and resid 416 and name HD1%) 5.600 3.900 0.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.69134E-04 ppm1 7.984 ppm2 0.874 CV 1 OR { 62} (( segid " " and resid 427 and name H )) ( segid " " and resid 423 and name HD2%) OR { 62} (( segid " " and resid 427 and name H )) ( segid " " and resid 412 and name HD1%) ASSI { 63} (( segid " " and resid 440 and name H )) ( segid " " and resid 398 and name HG2%) 4.400 2.400 1.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.40682E-03 ppm1 8.241 ppm2 0.844 CV 1 OR { 63} (( segid " " and resid 440 and name H )) ( segid " " and resid 439 and name HD1%) ASSI { 64} (( segid " " and resid 413 and name H )) (( segid " " and resid 413 and name HE1 )) 5.600 3.900 0.400 peak 64 spectrum 1 weight 0.10000E+01 volume 0.14890E-03 ppm1 8.321 ppm2 8.017 CV 1 OR { 64} (( segid " " and resid 413 and name H )) (( segid " " and resid 429 and name H )) ASSI { 65} (( segid " " and resid 413 and name H )) (( segid " " and resid 409 and name HA )) 4.600 2.600 1.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.27919E-03 ppm1 8.320 ppm2 3.756 CV 1 OR { 65} (( segid " " and resid 413 and name H )) (( segid " " and resid 411 and name HB3 )) OR { 65} (( segid " " and resid 413 and name H )) (( segid " " and resid 411 and name HB2 )) ASSI { 68} (( segid " " and resid 410 and name H )) (( segid " " and resid 408 and name HA )) 4.600 2.600 1.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.23133E-03 ppm1 8.123 ppm2 4.035 CV 1 OR { 68} (( segid " " and resid 410 and name H )) (( segid " " and resid 411 and name HA )) ASSI { 73} (( segid " " and resid 424 and name H )) (( segid " " and resid 426 and name H )) 3.600 1.600 1.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.70729E-03 ppm1 8.297 ppm2 7.996 CV 1 OR { 73} (( segid " " and resid 424 and name H )) (( segid " " and resid 427 and name H )) ASSI { 78} (( segid " " and resid 410 and name HD21)) (( segid " " and resid 414 and name HB2 )) 5.100 3.200 0.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.12497E-03 ppm1 6.906 ppm2 1.876 CV 1 OR { 78} (( segid " " and resid 410 and name HD21)) (( segid " " and resid 414 and name HB3 )) OR { 78} (( segid " " and resid 410 and name HD21)) (( segid " " and resid 409 and name HB3 )) ASSI { 81} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 443 and name HB3 )) 4.500 2.500 1.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.18613E-03 ppm1 7.635 ppm2 1.608 CV 1 OR { 81} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 443 and name HB2 )) OR { 81} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 443 and name HG )) OR { 81} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 444 and name HG3 )) OR { 81} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 444 and name HG2 )) ASSI { 84} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 443 and name HB3 )) 4.500 2.500 1.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.26058E-03 ppm1 6.898 ppm2 1.613 CV 1 OR { 84} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 443 and name HB2 )) OR { 84} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 444 and name HG3 )) OR { 84} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 444 and name HG2 )) OR { 84} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 399 and name HD3 )) OR { 84} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 399 and name HD2 )) ASSI { 87} (( segid " " and resid 433 and name HE22)) ( segid " " and resid 409 and name HD1%) 3.600 1.600 1.600 peak 87 spectrum 1 weight 0.10000E+01 volume 0.24728E-03 ppm1 7.049 ppm2 0.795 CV 1 OR { 87} (( segid " " and resid 433 and name HE22)) ( segid " " and resid 409 and name HD2%) OR { 87} (( segid " " and resid 433 and name HE22)) ( segid " " and resid 436 and name HD1%) ASSI { 93} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 430 and name HZ3 )) 5.200 3.300 0.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.12231E-03 ppm1 10.140 ppm2 7.053 CV 1 OR { 93} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 433 and name HE22)) ASSI { 94} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 434 and name HA )) 5.100 3.200 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.14092E-03 ppm1 10.134 ppm2 3.955 CV 1 OR { 94} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 433 and name HA )) ASSI { 99} (( segid " " and resid 413 and name H )) (( segid " " and resid 414 and name HG2 )) 4.900 3.000 1.100 peak 99 spectrum 1 weight 0.10000E+01 volume 0.26323E-03 ppm1 8.322 ppm2 1.747 CV 1 OR { 99} (( segid " " and resid 413 and name H )) (( segid " " and resid 429 and name HB3 )) OR { 99} (( segid " " and resid 413 and name H )) (( segid " " and resid 429 and name HB2 )) ASSI { 101} (( segid " " and resid 400 and name H )) (( segid " " and resid 400 and name HA )) 2.600 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.40655E-02 ppm1 7.938 ppm2 4.098 CV 1 OR { 101} (( segid " " and resid 431 and name H )) (( segid " " and resid 431 and name HA )) OR { 101} (( segid " " and resid 415 and name H )) (( segid " " and resid 412 and name HA )) OR { 101} (( segid " " and resid 431 and name H )) (( segid " " and resid 428 and name HA )) ASSI { 142} (( segid " " and resid 438 and name H )) (( segid " " and resid 437 and name HA )) 3.400 1.400 1.400 peak 142 spectrum 1 weight 0.10000E+01 volume 0.85616E-03 ppm1 7.611 ppm2 3.723 CV 1 OR { 142} (( segid " " and resid 438 and name H )) (( segid " " and resid 435 and name HA )) ASSI { 144} (( segid " " and resid 438 and name H )) (( segid " " and resid 439 and name HB3 )) 4.500 2.600 1.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.38289E-03 ppm1 7.608 ppm2 1.894 CV 1 OR { 144} (( segid " " and resid 438 and name H )) (( segid " " and resid 439 and name HB2 )) OR { 144} (( segid " " and resid 438 and name H )) (( segid " " and resid 441 and name HB2 )) ASSI { 145} (( segid " " and resid 398 and name H )) (( segid " " and resid 399 and name H )) 2.600 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.25819E-02 ppm1 8.022 ppm2 8.232 CV 1 OR { 145} (( segid " " and resid 398 and name H )) (( segid " " and resid 397 and name H )) ASSI { 147} (( segid " " and resid 398 and name H )) (( segid " " and resid 398 and name HA )) 2.800 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 8.022 ppm2 3.807 CV 1 OR { 147} (( segid " " and resid 398 and name H )) (( segid " " and resid 397 and name HA2 )) ASSI { 188} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HA )) 2.400 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.66128E-02 ppm1 7.860 ppm2 4.119 CV 1 OR { 188} (( segid " " and resid 401 and name H )) (( segid " " and resid 400 and name HA )) ASSI { 191} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HB2 )) 2.200 0.600 0.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.70540E-02 ppm1 7.860 ppm2 2.107 CV 1 OR { 191} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HB3 )) OR { 191} (( segid " " and resid 401 and name H )) (( segid " " and resid 400 and name HB3 )) ASSI { 192} (( segid " " and resid 401 and name H )) (( segid " " and resid 402 and name HB )) 3.900 1.900 1.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.90934E-03 ppm1 7.860 ppm2 1.856 CV 1 OR { 192} (( segid " " and resid 401 and name H )) (( segid " " and resid 399 and name HB3 )) ASSI { 196} (( segid " " and resid 396 and name H )) (( segid " " and resid 396 and name HA )) 2.700 0.900 0.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 8.249 ppm2 4.005 CV 1 OR { 196} (( segid " " and resid 396 and name H )) (( segid " " and resid 395 and name HA )) ASSI { 207} (( segid " " and resid 436 and name H )) (( segid " " and resid 435 and name HA )) 3.800 1.800 1.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.49456E-03 ppm1 8.651 ppm2 3.652 CV 1 OR { 207} (( segid " " and resid 436 and name H )) (( segid " " and resid 432 and name HA )) ASSI { 232} (( segid " " and resid 429 and name H )) (( segid " " and resid 425 and name HA )) 3.900 1.900 1.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.63283E-03 ppm1 7.986 ppm2 3.947 CV 1 OR { 232} (( segid " " and resid 429 and name H )) (( segid " " and resid 427 and name HA )) ASSI { 254} (( segid " " and resid 402 and name H )) (( segid " " and resid 401 and name HA )) 3.500 1.500 1.500 peak 254 spectrum 1 weight 0.10000E+01 volume 0.76047E-03 ppm1 8.631 ppm2 4.120 CV 1 OR { 254} (( segid " " and resid 402 and name H )) (( segid " " and resid 400 and name HA )) ASSI { 255} (( segid " " and resid 402 and name H )) (( segid " " and resid 398 and name HA )) 3.200 1.300 1.300 peak 255 spectrum 1 weight 0.10000E+01 volume 0.11726E-02 ppm1 8.636 ppm2 3.822 CV 1 OR { 255} (( segid " " and resid 402 and name H )) (( segid " " and resid 399 and name HA )) ASSI { 262} (( segid " " and resid 432 and name H )) (( segid " " and resid 431 and name HA )) 3.200 1.300 1.300 peak 262 spectrum 1 weight 0.10000E+01 volume 0.14278E-02 ppm1 8.374 ppm2 4.075 CV 1 OR { 262} (( segid " " and resid 432 and name H )) (( segid " " and resid 428 and name HA )) ASSI { 272} (( segid " " and resid 407 and name H )) (( segid " " and resid 404 and name HA )) 3.400 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.11433E-02 ppm1 7.949 ppm2 4.033 CV 1 OR { 272} (( segid " " and resid 407 and name H )) (( segid " " and resid 403 and name HA )) ASSI { 288} (( segid " " and resid 406 and name H )) (( segid " " and resid 403 and name HA )) 3.300 1.400 1.400 peak 288 spectrum 1 weight 0.10000E+01 volume 0.10796E-02 ppm1 9.027 ppm2 4.026 CV 1 OR { 288} (( segid " " and resid 406 and name H )) (( segid " " and resid 404 and name HA )) ASSI { 297} (( segid " " and resid 420 and name H )) (( segid " " and resid 420 and name HA )) 2.800 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 7.625 ppm2 3.999 CV 1 OR { 297} (( segid " " and resid 420 and name H )) (( segid " " and resid 419 and name HA2 )) ASSI { 312} (( segid " " and resid 415 and name H )) (( segid " " and resid 414 and name HB3 )) 3.200 1.300 1.300 peak 312 spectrum 1 weight 0.10000E+01 volume 0.15954E-02 ppm1 7.917 ppm2 1.886 CV 1 OR { 312} (( segid " " and resid 415 and name H )) (( segid " " and resid 414 and name HB2 )) OR { 312} (( segid " " and resid 415 and name H )) (( segid " " and resid 412 and name HB2 )) ASSI { 317} (( segid " " and resid 445 and name H )) (( segid " " and resid 445 and name HA )) 2.400 0.700 0.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.62938E-02 ppm1 7.880 ppm2 4.224 CV 1 OR { 317} (( segid " " and resid 445 and name H )) (( segid " " and resid 444 and name HA )) ASSI { 318} (( segid " " and resid 445 and name H )) (( segid " " and resid 441 and name HA )) 3.400 1.400 1.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.80568E-03 ppm1 7.883 ppm2 4.051 CV 1 OR { 318} (( segid " " and resid 445 and name H )) (( segid " " and resid 446 and name HA )) ASSI { 323} (( segid " " and resid 400 and name H )) (( segid " " and resid 399 and name HA )) 3.000 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.20075E-02 ppm1 7.939 ppm2 3.820 CV 1 OR { 323} (( segid " " and resid 400 and name H )) (( segid " " and resid 398 and name HA )) ASSI { 331} (( segid " " and resid 426 and name H )) (( segid " " and resid 425 and name HA )) 3.300 1.400 1.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.99711E-03 ppm1 7.985 ppm2 3.943 CV 1 OR { 331} (( segid " " and resid 426 and name H )) (( segid " " and resid 427 and name HA )) ASSI { 336} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name H )) 2.300 0.700 0.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.50493E-02 ppm1 7.674 ppm2 7.985 CV 1 OR { 336} (( segid " " and resid 428 and name H )) (( segid " " and resid 429 and name H )) ASSI { 354} (( segid " " and resid 416 and name H )) (( segid " " and resid 413 and name HA )) 3.800 1.800 1.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.64344E-03 ppm1 7.754 ppm2 4.138 CV 1 OR { 354} (( segid " " and resid 416 and name H )) (( segid " " and resid 417 and name HA )) ASSI { 363} (( segid " " and resid 404 and name H )) (( segid " " and resid 401 and name HA )) 3.400 1.500 1.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.81365E-03 ppm1 7.908 ppm2 4.132 CV 1 OR { 363} (( segid " " and resid 404 and name H )) (( segid " " and resid 400 and name HA )) ASSI { 364} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HA )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 7.909 ppm2 4.027 CV 1 OR { 364} (( segid " " and resid 404 and name H )) (( segid " " and resid 403 and name HA )) ASSI { 384} (( segid " " and resid 405 and name H )) (( segid " " and resid 405 and name HB3 )) 2.500 0.800 0.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.33051E-02 ppm1 8.455 ppm2 1.956 CV 1 OR { 384} (( segid " " and resid 405 and name H )) (( segid " " and resid 404 and name HB2 )) OR { 384} (( segid " " and resid 405 and name H )) (( segid " " and resid 405 and name HB2 )) ASSI { 391} (( segid " " and resid 399 and name H )) (( segid " " and resid 399 and name HA )) 2.700 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 8.233 ppm2 3.822 CV 1 OR { 391} (( segid " " and resid 399 and name H )) (( segid " " and resid 398 and name HA )) ASSI { 412} (( segid " " and resid 443 and name H )) (( segid " " and resid 442 and name HA )) 3.200 1.300 1.300 peak 412 spectrum 1 weight 0.10000E+01 volume 0.10742E-02 ppm1 7.642 ppm2 4.031 CV 1 OR { 412} (( segid " " and resid 443 and name H )) (( segid " " and resid 441 and name HA )) ASSI { 414} (( segid " " and resid 443 and name H )) (( segid " " and resid 442 and name HB2 )) 3.500 1.600 1.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.93063E-03 ppm1 7.642 ppm2 1.901 CV 1 OR { 414} (( segid " " and resid 443 and name H )) (( segid " " and resid 441 and name HB3 )) OR { 414} (( segid " " and resid 443 and name H )) (( segid " " and resid 441 and name HB2 )) ASSI { 419} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HA )) 2.700 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 7.571 ppm2 4.027 CV 1 OR { 419} (( segid " " and resid 441 and name H )) (( segid " " and resid 438 and name HA )) ASSI { 420} (( segid " " and resid 441 and name H )) (( segid " " and resid 440 and name HA )) 3.600 1.700 1.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.57167E-03 ppm1 7.569 ppm2 3.767 CV 1 OR { 420} (( segid " " and resid 441 and name H )) (( segid " " and resid 437 and name HA )) ASSI { 426} (( segid " " and resid 430 and name H )) (( segid " " and resid 431 and name H )) 2.300 0.700 0.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.48658E-02 ppm1 7.811 ppm2 7.959 CV 1 OR { 426} (( segid " " and resid 430 and name H )) (( segid " " and resid 429 and name H )) ASSI { 428} (( segid " " and resid 430 and name H )) (( segid " " and resid 428 and name HA )) 4.600 2.600 1.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.20740E-03 ppm1 7.811 ppm2 4.082 CV 1 OR { 428} (( segid " " and resid 430 and name H )) (( segid " " and resid 431 and name HA )) ASSI { 433} (( segid " " and resid 430 and name H )) (( segid " " and resid 433 and name HB3 )) 5.000 3.100 1.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.13294E-03 ppm1 7.812 ppm2 2.042 CV 1 OR { 433} (( segid " " and resid 430 and name H )) (( segid " " and resid 427 and name HB3 )) ASSI { 454} (( segid " " and resid 433 and name H )) (( segid " " and resid 436 and name HG )) 5.900 4.400 0.100 peak 454 spectrum 1 weight 0.10000E+01 volume 0.66472E-04 ppm1 8.337 ppm2 1.621 CV 1 OR { 454} (( segid " " and resid 433 and name H )) (( segid " " and resid 434 and name HG3 )) ASSI { 464} (( segid " " and resid 427 and name H )) (( segid " " and resid 427 and name HG3 )) 3.700 1.700 1.700 peak 464 spectrum 1 weight 0.10000E+01 volume 0.72060E-03 ppm1 7.983 ppm2 2.215 CV 1 OR { 464} (( segid " " and resid 427 and name H )) (( segid " " and resid 426 and name HG2 )) ASSI { 472} (( segid " " and resid 440 and name H )) (( segid " " and resid 439 and name HA )) 3.800 1.800 1.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.52647E-03 ppm1 8.244 ppm2 3.921 CV 1 OR { 472} (( segid " " and resid 440 and name H )) (( segid " " and resid 436 and name HA )) ASSI { 473} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HA )) 2.700 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 8.242 ppm2 3.769 CV 1 OR { 473} (( segid " " and resid 440 and name H )) (( segid " " and resid 437 and name HA )) ASSI { 484} (( segid " " and resid 413 and name H )) (( segid " " and resid 412 and name HA )) 3.400 1.400 1.400 peak 484 spectrum 1 weight 0.10000E+01 volume 0.75778E-03 ppm1 8.325 ppm2 4.029 CV 1 OR { 484} (( segid " " and resid 413 and name H )) (( segid " " and resid 411 and name HA )) ASSI { 491} (( segid " " and resid 411 and name H )) (( segid " " and resid 410 and name H )) 2.800 0.900 0.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.21909E-02 ppm1 7.871 ppm2 8.156 CV 1 OR { 491} (( segid " " and resid 411 and name H )) (( segid " " and resid 412 and name H )) ASSI { 493} (( segid " " and resid 411 and name H )) (( segid " " and resid 411 and name HA )) 2.800 1.000 1.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 7.871 ppm2 4.006 CV 1 OR { 493} (( segid " " and resid 411 and name H )) (( segid " " and resid 408 and name HA )) ASSI { 496} (( segid " " and resid 411 and name H )) (( segid " " and resid 409 and name HB3 )) 5.200 3.300 0.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.19144E-03 ppm1 7.870 ppm2 1.864 CV 1 OR { 496} (( segid " " and resid 411 and name H )) (( segid " " and resid 412 and name HB3 )) ASSI { 510} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HA )) 3.200 1.300 1.300 peak 510 spectrum 1 weight 0.10000E+01 volume 0.13055E-02 ppm1 8.275 ppm2 3.925 CV 1 OR { 510} (( segid " " and resid 437 and name H )) (( segid " " and resid 434 and name HA )) ASSI { 551} (( segid " " and resid 446 and name H )) (( segid " " and resid 444 and name HG2 )) 5.900 4.300 0.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.13294E-04 ppm1 7.638 ppm2 1.655 CV 1 OR { 551} (( segid " " and resid 446 and name H )) (( segid " " and resid 444 and name HG3 )) OR { 551} (( segid " " and resid 446 and name H )) (( segid " " and resid 443 and name HB3 )) OR { 551} (( segid " " and resid 446 and name H )) (( segid " " and resid 443 and name HB2 )) ASSI { 567} (( segid " " and resid 407 and name H )) (( segid " " and resid 409 and name HB3 )) 4.200 2.200 1.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.46797E-03 ppm1 7.946 ppm2 1.880 CV 1 OR { 567} (( segid " " and resid 407 and name H )) (( segid " " and resid 406 and name HG2 )) ASSI { 568} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HA )) 2.300 0.700 0.700 peak 568 spectrum 1 weight 0.10000E+01 volume 0.69614E-02 ppm1 7.690 ppm2 4.041 CV 1 OR { 568} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HA ))
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