NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
595965 | 2mvv | 25287 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 41} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) 3.200 1.300 1.300 peak 41 spectrum 1 weight 0.10000E+01 volume 0.14351E-02 ppm1 7.703 ppm2 4.360 CV 1 OR { 41} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 43} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.300 1.300 1.300 peak 43 spectrum 1 weight 0.10000E+01 volume 0.10821E-02 ppm1 7.705 ppm2 3.074 CV 1 OR { 43} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 185} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.600 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.31711E-02 ppm1 8.032 ppm2 2.848 CV 1 OR { 185} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 187} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.300 1.400 1.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.18198E-02 ppm1 8.049 ppm2 3.307 CV 1 ASSI { 191} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 3.400 1.500 1.500 peak 191 spectrum 1 weight 0.10000E+01 volume 0.17027E-02 ppm1 7.982 ppm2 4.358 CV 1 OR { 191} (( segid " " and resid 40 and name HN )) (( segid " " and resid 35 and name HA )) OR { 191} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HA )) ASSI { 192} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA1 )) 2.800 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.43362E-02 ppm1 7.964 ppm2 4.279 CV 1 OR { 192} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 194} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 3.300 1.400 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.18924E-02 ppm1 7.967 ppm2 4.215 CV 1 ASSI { 211} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 3.300 1.400 1.400 peak 211 spectrum 1 weight 0.10000E+01 volume 0.12081E-02 ppm1 8.400 ppm2 4.289 CV 1 OR { 211} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 212} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 3.500 1.500 1.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.95875E-03 ppm1 8.726 ppm2 4.233 CV 1 OR { 212} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) OR { 212} (( segid " " and resid 75 and name HN )) (( segid " " and resid 71 and name HA )) ASSI { 213} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HA )) 3.300 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.15583E-02 ppm1 8.400 ppm2 4.195 CV 1 OR { 213} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 224} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.400 1.400 1.400 peak 224 spectrum 1 weight 0.10000E+01 volume 0.30437E-02 ppm1 8.725 ppm2 1.668 CV 1 OR { 224} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 229} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD2%) 4.300 2.300 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.11686E-02 ppm1 8.724 ppm2 0.870 CV 1 OR { 229} (( segid " " and resid 75 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 230} (( segid " " and resid 75 and name HN )) ( segid " " and resid 31 and name HD2%) 3.900 1.900 1.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.11488E-02 ppm1 8.724 ppm2 0.789 CV 1 OR { 230} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD1%) ASSI { 235} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.700 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.29723E-02 ppm1 7.766 ppm2 4.255 CV 1 OR { 235} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) OR { 235} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HA )) ASSI { 236} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.600 0.800 0.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.52497E-02 ppm1 8.176 ppm2 4.099 CV 1 OR { 236} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 236} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 244} (( segid " " and resid 74 and name HN )) ( segid " " and resid 68 and name HG1%) 3.200 1.300 1.300 peak 244 spectrum 1 weight 0.10000E+01 volume 0.20182E-02 ppm1 7.763 ppm2 1.130 CV 1 ASSI { 247} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG )) 4.300 2.300 1.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.89157E-03 ppm1 7.765 ppm2 0.944 CV 1 OR { 247} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 253} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.600 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.37274E-02 ppm1 8.463 ppm2 4.303 CV 1 OR { 253} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HA )) ASSI { 254} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.700 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.44595E-02 ppm1 8.461 ppm2 4.198 CV 1 OR { 254} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 259} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.500 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.48117E-02 ppm1 7.891 ppm2 2.699 CV 1 OR { 259} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) OR { 259} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 262} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.100 0.600 0.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.11173E-01 ppm1 8.464 ppm2 2.231 CV 1 OR { 262} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB )) OR { 262} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) OR { 262} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 265} (( segid " " and resid 52 and name HN )) ( segid " " and resid 13 and name HB% ) 3.600 1.600 1.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.14836E-02 ppm1 8.463 ppm2 1.646 CV 1 OR { 265} (( segid " " and resid 52 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 266} (( segid " " and resid 15 and name HN )) ( segid " " and resid 18 and name HB% ) 4.200 1.300 1.300 peak 266 spectrum 1 weight 0.10000E+01 volume 0.19013E-02 ppm1 8.463 ppm2 1.526 CV 1 OR { 266} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 267} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.500 0.800 0.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.40062E-02 ppm1 8.463 ppm2 1.441 CV 1 ASSI { 271} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD1%) 3.700 1.800 1.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.18542E-02 ppm1 8.463 ppm2 0.870 CV 1 ASSI { 273} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HA )) 3.300 1.400 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.15343E-02 ppm1 8.274 ppm2 4.903 CV 1 ASSI { 277} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.800 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.30522E-02 ppm1 7.719 ppm2 4.376 CV 1 OR { 277} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 279} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HA )) 2.800 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.34957E-02 ppm1 8.243 ppm2 4.291 CV 1 OR { 279} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB )) OR { 279} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HA )) ASSI { 280} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 280 spectrum 1 weight 0.10000E+01 volume 0.18959E-02 ppm1 8.302 ppm2 4.270 CV 1 OR { 280} (( segid " " and resid 78 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 281} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.33617E-02 ppm1 8.149 ppm2 4.230 CV 1 OR { 281} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 283} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 283 spectrum 1 weight 0.10000E+01 volume 0.12294E-02 ppm1 7.720 ppm2 4.203 CV 1 OR { 283} (( segid " " and resid 13 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 284} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.400 0.700 0.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.78357E-02 ppm1 8.244 ppm2 4.196 CV 1 OR { 284} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 285} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HA )) 3.700 1.700 1.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.12242E-02 ppm1 8.251 ppm2 4.028 CV 1 ASSI { 287} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HA )) 3.300 1.400 1.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.11667E-02 ppm1 8.148 ppm2 3.936 CV 1 OR { 287} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 288} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name H28B )) 3.100 1.200 1.200 peak 288 spectrum 1 weight 0.10000E+01 volume 0.22183E-02 ppm1 8.248 ppm2 3.911 CV 1 ASSI { 301} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.500 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.55041E-02 ppm1 8.276 ppm2 2.002 CV 1 OR { 301} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 308} (( segid " " and resid 82 and name HN )) ( segid " " and resid 81 and name HB% ) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.50807E-02 ppm1 8.274 ppm2 1.624 CV 1 ASSI { 309} (( segid " " and resid 51 and name HN )) ( segid " " and resid 50 and name HB% ) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.40632E-02 ppm1 8.150 ppm2 1.639 CV 1 ASSI { 311} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.31470E-02 ppm1 8.273 ppm2 1.558 CV 1 ASSI { 313} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HB2) 3.600 1.600 1.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.30985E-02 ppm1 8.240 ppm2 1.430 CV 1 ASSI { 314} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG1 )) 3.900 1.900 1.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.11592E-02 ppm1 8.828 ppm2 1.395 CV 1 OR { 314} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 317} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD2%) 4.400 2.400 1.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.87492E-03 ppm1 8.828 ppm2 1.127 CV 1 ASSI { 318} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG2%) 3.800 1.800 1.800 peak 318 spectrum 1 weight 0.10000E+01 volume 0.19689E-02 ppm1 8.246 ppm2 1.119 CV 1 OR { 318} (( segid " " and resid 16 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 320} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD1%) 2.900 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.41440E-02 ppm1 8.277 ppm2 0.982 CV 1 OR { 320} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 322} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HD1%) 3.700 1.700 1.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.15587E-02 ppm1 8.304 ppm2 0.789 CV 1 OR { 322} (( segid " " and resid 78 and name HN )) ( segid " " and resid 75 and name HD1%) ASSI { 324} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HA )) 3.100 1.200 1.200 peak 324 spectrum 1 weight 0.10000E+01 volume 0.19276E-02 ppm1 8.192 ppm2 4.190 CV 1 OR { 324} (( segid " " and resid 50 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 327} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.31273E-02 ppm1 8.382 ppm2 4.375 CV 1 OR { 327} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 328} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 3.500 1.500 1.500 peak 328 spectrum 1 weight 0.10000E+01 volume 0.13624E-02 ppm1 8.884 ppm2 4.276 CV 1 OR { 328} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 329} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.700 0.900 0.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.26054E-02 ppm1 8.882 ppm2 4.115 CV 1 OR { 329} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 329} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 343} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HA )) 4.000 2.000 2.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.71091E-03 ppm1 7.214 ppm2 4.725 CV 1 ASSI { 347} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD2%) 3.800 1.800 1.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.23796E-02 ppm1 7.215 ppm2 1.050 CV 1 OR { 347} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 349} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.900 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.24072E-02 ppm1 7.215 ppm2 1.415 CV 1 OR { 349} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HG2 )) ASSI { 369} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HD21)) 3.500 1.500 1.500 peak 369 spectrum 1 weight 0.10000E+01 volume 0.15675E-02 ppm1 9.420 ppm2 7.386 CV 1 OR { 369} (( segid " " and resid 5 and name HN )) ( segid " " and resid 56 and name HD% ) ASSI { 379} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HG )) 4.300 2.300 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.87481E-03 ppm1 9.422 ppm2 1.703 CV 1 OR { 379} (( segid " " and resid 5 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 380} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) 2.500 0.800 0.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.45217E-02 ppm1 9.422 ppm2 1.575 CV 1 OR { 380} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) OR { 380} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 383} (( segid " " and resid 5 and name HN )) ( segid " " and resid 82 and name HD1%) 3.200 1.300 1.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 9.420 ppm2 0.975 CV 1 OR { 383} (( segid " " and resid 5 and name HN )) ( segid " " and resid 82 and name HD2%) OR { 383} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 391} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HG2%) 4.000 2.000 2.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 8.236 ppm2 0.985 CV 1 OR { 391} (( segid " " and resid 60 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 397} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.000 1.200 1.200 peak 397 spectrum 1 weight 0.10000E+01 volume 0.43918E-02 ppm1 8.155 ppm2 1.607 CV 1 ASSI { 427} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.000 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.22223E-02 ppm1 8.448 ppm2 1.260 CV 1 ASSI { 621} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.100 0.600 0.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.14409E-01 ppm1 8.154 ppm2 4.386 CV 1 OR { 621} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) ASSI { 753} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.33163E-02 ppm1 8.448 ppm2 4.359 CV 1 ASSI { 755} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA )) 4.900 3.000 1.100 peak 755 spectrum 1 weight 0.10000E+01 volume 0.39996E-03 ppm1 8.703 ppm2 4.299 CV 1 OR { 755} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HA )) OR { 755} (( segid " " and resid 49 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 757} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.200 1.300 1.300 peak 757 spectrum 1 weight 0.10000E+01 volume 0.13662E-02 ppm1 8.701 ppm2 4.186 CV 1 OR { 757} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) ASSI { 818} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.700 1.700 1.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.11360E-02 ppm1 7.843 ppm2 4.039 CV 1 ASSI { 829} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 4.200 2.200 1.800 peak 829 spectrum 1 weight 0.10000E+01 volume 0.58311E-03 ppm1 7.216 ppm2 3.319 CV 1 OR { 829} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 830} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 4.000 2.000 2.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.65361E-03 ppm1 7.216 ppm2 3.033 CV 1 OR { 830} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 848} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.800 1.000 1.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.24721E-02 ppm1 7.526 ppm2 1.043 CV 1 OR { 848} (( segid " " and resid 31 and name HN )) ( segid " " and resid 33 and name HD2%) ASSI { 850} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.600 0.900 0.900 peak 850 spectrum 1 weight 0.10000E+01 volume 0.23601E-02 ppm1 7.524 ppm2 3.319 CV 1 ASSI { 853} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.400 1.500 1.500 peak 853 spectrum 1 weight 0.10000E+01 volume 0.77744E-03 ppm1 7.524 ppm2 3.042 CV 1 ASSI { 864} (( segid " " and resid 13 and name HN )) ( segid " " and resid 52 and name HD2%) 3.700 1.700 1.700 peak 864 spectrum 1 weight 0.10000E+01 volume 0.94421E-03 ppm1 7.716 ppm2 1.031 CV 1 OR { 864} (( segid " " and resid 13 and name HN )) ( segid " " and resid 10 and name HD1%) OR { 864} (( segid " " and resid 13 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 868} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.500 1.500 1.500 peak 868 spectrum 1 weight 0.10000E+01 volume 0.13837E-02 ppm1 8.371 ppm2 2.194 CV 1 ASSI { 874} (( segid " " and resid 35 and name HN )) (( segid " " and resid 71 and name HD2 )) 4.600 2.700 1.400 peak 874 spectrum 1 weight 0.10000E+01 volume 0.66372E-03 ppm1 8.374 ppm2 2.935 CV 1 OR { 874} (( segid " " and resid 35 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 889} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 2.900 1.100 1.100 peak 889 spectrum 1 weight 0.10000E+01 volume 0.28197E-02 ppm1 8.177 ppm2 4.009 CV 1 OR { 889} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HA1 )) ASSI { 890} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 3.300 1.300 1.300 peak 890 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 8.176 ppm2 3.892 CV 1 OR { 890} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HA2 )) ASSI { 926} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.300 1.300 1.300 peak 926 spectrum 1 weight 0.10000E+01 volume 0.15696E-02 ppm1 7.736 ppm2 4.580 CV 1 OR { 926} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HA )) ASSI { 950} (( segid " " and resid 23 and name HN )) ( segid " " and resid 21 and name HG2%) 4.500 1.900 1.500 peak 950 spectrum 1 weight 0.10000E+01 volume 0.54247E-03 ppm1 8.489 ppm2 1.239 CV 1 ASSI { 982} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.300 1.400 1.400 peak 982 spectrum 1 weight 0.10000E+01 volume 0.15729E-02 ppm1 8.075 ppm2 4.242 CV 1 OR { 982} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 985} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.400 0.700 0.700 peak 985 spectrum 1 weight 0.10000E+01 volume 0.79760E-02 ppm1 8.073 ppm2 4.108 CV 1 OR { 985} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 986} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HA )) 2.500 0.800 0.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.43524E-02 ppm1 7.500 ppm2 4.105 CV 1 ASSI { 997} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HB1 )) 4.500 2.600 1.500 peak 997 spectrum 1 weight 0.10000E+01 volume 0.29238E-03 ppm1 8.077 ppm2 2.220 CV 1 OR { 997} (( segid " " and resid 56 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 1013} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 3.100 1.200 1.200 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.76424E-03 ppm1 8.028 ppm2 3.319 CV 1 ASSI { 1014} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.000 1.100 1.100 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.21434E-02 ppm1 8.026 ppm2 3.037 CV 1 ASSI { 1020} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.800 1.800 1.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.13907E-02 ppm1 8.026 ppm2 1.044 CV 1 OR { 1020} (( segid " " and resid 32 and name HN )) ( segid " " and resid 33 and name HD2%) ASSI { 1027} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HA )) 2.700 0.900 0.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.46890E-02 ppm1 8.567 ppm2 4.323 CV 1 OR { 1027} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) ASSI { 1040} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HA )) 3.900 1.900 1.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.88127E-03 ppm1 8.384 ppm2 4.476 CV 1 OR { 1040} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 1048} (( segid " " and resid 80 and name HN )) ( segid " " and resid 81 and name HB% ) 3.800 1.800 1.800 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.81866E-03 ppm1 8.384 ppm2 1.615 CV 1 OR { 1048} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 1072} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG )) 3.400 1.400 1.400 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 9.047 ppm2 1.572 CV 1 ASSI { 1074} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HG2%) 2.800 1.000 1.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.37904E-02 ppm1 9.048 ppm2 1.403 CV 1 ASSI { 1097} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.800 1.800 1.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.18468E-02 ppm1 8.063 ppm2 1.580 CV 1 OR { 1097} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB2 )) ASSI { 1104} (( segid " " and resid 56 and name HN )) ( segid " " and resid 55 and name HG2) 3.800 1.800 1.800 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.12070E-02 ppm1 8.064 ppm2 0.978 CV 1 ASSI { 1111} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.400 0.700 0.700 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.85840E-02 ppm1 8.249 ppm2 4.475 CV 1 ASSI { 1138} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB1 )) 4.900 3.000 1.100 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.52995E-03 ppm1 8.840 ppm2 2.708 CV 1 OR { 1138} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB2 )) OR { 1138} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HB2 )) ASSI { 1184} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.800 1.000 1.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.27835E-02 ppm1 7.831 ppm2 4.239 CV 1 OR { 1184} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 1187} (( segid " " and resid 73 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.700 1.700 1.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.16937E-02 ppm1 7.830 ppm2 1.602 CV 1 OR { 1187} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 1193} (( segid " " and resid 73 and name HN )) ( segid " " and resid 68 and name HG1%) 4.200 2.300 1.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.78188E-03 ppm1 7.835 ppm2 1.130 CV 1 ASSI { 1194} (( segid " " and resid 73 and name HN )) ( segid " " and resid 70 and name HG2%) 4.500 2.500 1.500 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.68133E-03 ppm1 7.835 ppm2 1.036 CV 1 OR { 1194} (( segid " " and resid 73 and name HN )) ( segid " " and resid 74 and name HD2%) OR { 1194} (( segid " " and resid 73 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 1198} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) 4.100 2.100 1.900 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.13242E-02 ppm1 8.016 ppm2 1.680 CV 1 OR { 1198} (( segid " " and resid 12 and name HN )) ( segid " " and resid 13 and name HB% ) ASSI { 1216} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) 3.600 1.600 1.600 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.10969E-02 ppm1 7.798 ppm2 4.375 CV 1 ASSI { 1220} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.500 1.500 1.500 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.15637E-02 ppm1 7.800 ppm2 2.250 CV 1 ASSI { 1224} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.300 1.400 1.400 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.14078E-02 ppm1 7.594 ppm2 4.363 CV 1 OR { 1224} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 1231} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HN )) 4.100 2.100 1.900 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.72356E-03 ppm1 7.890 ppm2 8.833 CV 1 OR { 1231} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HN )) ASSI { 1252} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 2.400 0.700 0.700 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.45028E-02 ppm1 8.825 ppm2 8.035 CV 1 OR { 1252} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) ASSI { 1270} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.500 1.500 1.500 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.82961E-03 ppm1 9.023 ppm2 4.221 CV 1 OR { 1270} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 1274} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HG1 )) 3.900 1.900 1.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.11710E-02 ppm1 9.023 ppm2 2.255 CV 1 OR { 1274} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) OR { 1274} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 1280} (( segid " " and resid 72 and name HN )) ( segid " " and resid 70 and name HG2%) 4.000 2.000 2.000 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.16112E-02 ppm1 9.023 ppm2 1.039 CV 1 OR { 1280} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 1317} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.800 1.000 1.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.41407E-02 ppm1 8.543 ppm2 4.535 CV 1 OR { 1317} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 1366} (( segid " " and resid 48 and name HN )) (( segid " " and resid 44 and name HA )) 3.500 1.500 1.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.73778E-03 ppm1 8.292 ppm2 4.294 CV 1 OR { 1366} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HA )) OR { 1366} (( segid " " and resid 48 and name HN )) (( segid " " and resid 52 and name HA )) ASSI { 1367} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.300 1.400 1.400 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.12537E-02 ppm1 8.292 ppm2 4.195 CV 1 OR { 1367} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 1392} (( segid " " and resid 34 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.600 1.700 1.700 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.69891E-03 ppm1 8.433 ppm2 2.997 CV 1 ASSI { 1393} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.000 1.100 1.100 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.15559E-02 ppm1 9.629 ppm2 3.086 CV 1 OR { 1393} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 1400} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.900 1.900 1.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.68278E-03 ppm1 9.626 ppm2 1.840 CV 1 OR { 1400} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 1401} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.800 1.000 1.000 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.31026E-02 ppm1 9.628 ppm2 4.360 CV 1 OR { 1401} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 1445} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HA )) 4.700 2.700 1.300 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.44091E-03 ppm1 7.455 ppm2 4.241 CV 1 OR { 1445} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HA )) OR { 1445} (( segid " " and resid 70 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 1549} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.000 2.000 2.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.76991E-03 ppm1 8.050 ppm2 1.049 CV 1 ASSI { 1556} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 2.900 1.000 1.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.20681E-02 ppm1 8.372 ppm2 4.366 CV 1 OR { 1556} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 1559} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD2%) 3.700 1.700 1.700 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.18802E-02 ppm1 7.979 ppm2 0.969 CV 1 OR { 1559} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 1559} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HG )) ASSI { 1564} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.200 1.300 1.300 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.16097E-02 ppm1 7.588 ppm2 2.183 CV 1 OR { 1564} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) OR { 1564} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 1565} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.400 1.400 1.400 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.16766E-02 ppm1 7.591 ppm2 1.841 CV 1 OR { 1565} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 1637} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB1 )) 4.600 2.600 1.400 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.64597E-03 ppm1 8.047 ppm2 2.053 CV 1 OR { 1637} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) OR { 1637} (( segid " " and resid 10 and name HN )) (( segid " " and resid 52 and name HG )) ASSI { 1677} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HG11)) 4.400 2.400 1.600 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.57843E-03 ppm1 7.981 ppm2 1.709 CV 1 OR { 1677} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 1686} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG1 )) 4.300 2.300 1.700 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.74076E-03 ppm1 7.718 ppm2 1.902 CV 1 OR { 1686} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HG )) ASSI { 1690} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB1 )) 4.800 2.900 1.200 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.37323E-03 ppm1 8.823 ppm2 3.034 CV 1 ASSI { 1704} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG )) 3.900 1.900 1.900 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.68245E-03 ppm1 8.723 ppm2 0.950 CV 1 OR { 1704} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 1704} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 1711} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG )) 3.600 1.600 1.600 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.80474E-03 ppm1 8.465 ppm2 1.863 CV 1 OR { 1711} (( segid " " and resid 52 and name HN )) (( segid " " and resid 55 and name HB1 )) ASSI { 1712} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HG )) 4.200 2.200 1.800 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.54907E-03 ppm1 8.464 ppm2 1.722 CV 1 OR { 1712} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HG2 )) OR { 1712} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HB1 )) OR { 1712} (( segid " " and resid 52 and name HN )) (( segid " " and resid 78 and name HG11)) ASSI { 1748} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 3.900 1.900 1.900 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.59316E-03 ppm1 7.797 ppm2 3.934 CV 1 ASSI { 1766} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.100 1.200 1.200 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.21257E-02 ppm1 8.247 ppm2 4.369 CV 1 ASSI { 1778} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.600 0.800 0.800 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.50944E-02 ppm1 7.978 ppm2 4.268 CV 1 OR { 1778} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 1782} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HB2 )) 4.500 2.500 1.500 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.69311E-03 ppm1 7.890 ppm2 1.570 CV 1 ASSI { 1819} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA1 )) 4.600 2.600 1.400 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.48826E-03 ppm1 8.247 ppm2 4.055 CV 1 OR { 1819} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA2 )) OR { 1819} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HA1 )) OR { 1819} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HA2 )) ASSI { 1829} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HB1 )) 3.300 1.400 1.400 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.12669E-02 ppm1 7.386 ppm2 1.586 CV 1 OR { 1829} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HB1 )) ASSI { 1842} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HB1 )) 5.000 3.200 1.000 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.27337E-03 ppm1 7.894 ppm2 2.024 CV 1 OR { 1842} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HB1 )) OR { 1842} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 1856} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD2%) 4.900 3.000 1.100 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.41314E-03 ppm1 8.880 ppm2 1.015 CV 1 OR { 1856} (( segid " " and resid 53 and name HN )) ( segid " " and resid 74 and name HD2%) OR { 1856} (( segid " " and resid 53 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 1859} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 75 and name HD2%) 3.500 1.500 1.500 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.98694E-03 ppm1 7.386 ppm2 0.874 CV 1 OR { 1859} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 78 and name HG2%) ASSI { 1865} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD2%) 3.200 1.300 1.300 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.24573E-02 ppm1 8.249 ppm2 1.020 CV 1 ASSI { 1886} (( segid " " and resid 69 and name HN )) (( segid " " and resid 73 and name HG1 )) 4.800 2.900 1.200 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.34609E-03 ppm1 9.064 ppm2 2.555 CV 1 ASSI { 1890} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.200 2.200 1.800 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.60659E-03 ppm1 8.462 ppm2 2.771 CV 1 OR { 1890} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HG1 )) ASSI { 1908} (( segid " " and resid 11 and name HN )) ( segid " " and resid 13 and name HB% ) 4.800 2.800 1.200 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.41374E-03 ppm1 8.828 ppm2 1.673 CV 1 OR { 1908} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HG2 )) OR { 1908} (( segid " " and resid 11 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 1911} (( segid " " and resid 69 and name HN )) ( segid " " and resid 70 and name HG2%) 4.400 2.400 1.600 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.45975E-03 ppm1 9.059 ppm2 1.037 CV 1 ASSI { 1912} (( segid " " and resid 10 and name HN )) ( segid " " and resid 7 and name HG2%) 4.500 2.500 1.500 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.61086E-03 ppm1 8.047 ppm2 1.394 CV 1 ASSI { 1919} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB1 )) 4.200 2.200 1.800 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.59719E-03 ppm1 7.829 ppm2 2.276 CV 1 OR { 1919} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 1921} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name H28B)) 4.200 2.200 1.800 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.22586E-03 ppm1 7.824 ppm2 3.897 CV 1 OR { 1921} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name H28A)) OR { 1921} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 1954} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HG )) 3.800 1.800 1.800 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.70080E-03 ppm1 8.667 ppm2 1.700 CV 1 OR { 1954} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 1959} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HE% ) 3.800 1.800 1.800 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.90143E-03 ppm1 8.049 ppm2 7.213 CV 1 OR { 1959} (( segid " " and resid 30 and name HN )) (( segid " " and resid 33 and name HN )) ASSI { 1965} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HE% ) 4.000 2.000 2.000 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.70308E-03 ppm1 7.525 ppm2 7.221 CV 1 ASSI { 1969} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD1%) 4.000 2.000 2.000 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.11223E-02 ppm1 8.725 ppm2 1.030 CV 1 OR { 1969} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD2%) OR { 1969} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 1971} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.32201E-02 ppm1 7.842 ppm2 8.240 CV 1 ASSI { 1991} (( segid " " and resid 67 and name HN )) ( segid " " and resid 64 and name HG1%) 4.100 2.100 1.900 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.45123E-03 ppm1 7.651 ppm2 0.961 CV 1 OR { 1991} (( segid " " and resid 67 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 1991} (( segid " " and resid 67 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 1998} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA1 )) 3.300 1.400 1.400 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.16203E-02 ppm1 7.653 ppm2 4.018 CV 1 OR { 1998} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HA )) ASSI { 2009} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HD2 )) 3.300 1.400 1.400 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.92953E-03 ppm1 7.504 ppm2 3.279 CV 1 OR { 2009} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HD2 )) ASSI { 2017} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HG11)) 3.300 1.400 1.400 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.12404E-02 ppm1 7.977 ppm2 1.837 CV 1 ASSI { 2028} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB1 )) 5.600 4.000 0.400 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.15101E-03 ppm1 7.217 ppm2 1.601 CV 1 OR { 2028} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HG2 )) ASSI { 115} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.74137E-02 ppm1 0.884 ppm2 4.360 CV 1 OR { 115} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HA )) ASSI { 209} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB2 )) 2.600 0.800 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.38810E-02 ppm1 0.884 ppm2 1.475 CV 1 OR { 209} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB2 )) OR { 209} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 49 and name HB% ) ASSI { 212} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HB1 )) 2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.21581E-02 ppm1 0.883 ppm2 2.004 CV 1 ASSI { 336} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.34075E-02 ppm1 1.708 ppm2 8.155 CV 1 OR { 336} (( segid " " and resid 43 and name HG )) (( segid " " and resid 44 and name HN )) ASSI { 337} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HA )) 3.200 1.300 1.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.18508E-02 ppm1 1.709 ppm2 4.366 CV 1 OR { 337} (( segid " " and resid 4 and name HG )) (( segid " " and resid 3 and name HA )) ASSI { 359} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HA )) 2.900 1.100 1.100 peak 359 spectrum 1 weight 0.10000E+01 volume 0.39676E-02 ppm1 1.878 ppm2 4.094 CV 1 OR { 359} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 54 and name HB1 )) ASSI { 360} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HD2 )) 3.000 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.19682E-02 ppm1 1.873 ppm2 3.013 CV 1 OR { 360} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HD2 )) ASSI { 376} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HG2 )) 2.300 0.700 0.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.60450E-02 ppm1 2.022 ppm2 1.694 CV 1 OR { 376} (( segid " " and resid 12 and name HB1 )) ( segid " " and resid 13 and name HB% ) ASSI { 384} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HN )) 3.300 1.400 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.20393E-02 ppm1 1.933 ppm2 8.434 CV 1 ASSI { 427} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) 2.700 0.900 0.900 peak 427 spectrum 1 weight 0.10000E+01 volume 0.28884E-02 ppm1 2.359 ppm2 4.115 CV 1 ASSI { 445} (( segid " " and resid 64 and name HB )) (( segid " " and resid 65 and name HN )) 3.300 1.300 1.300 peak 445 spectrum 1 weight 0.10000E+01 volume 0.25109E-02 ppm1 2.193 ppm2 8.177 CV 1 OR { 445} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HN )) ASSI { 447} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HN )) 2.300 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.69253E-02 ppm1 2.266 ppm2 8.463 CV 1 ASSI { 448} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HN )) 2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.61017E-02 ppm1 2.276 ppm2 8.239 CV 1 OR { 448} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HN )) ASSI { 457} (( segid " " and resid 15 and name HB )) ( segid " " and resid 15 and name HG1%) 2.300 0.600 0.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.90732E-02 ppm1 2.265 ppm2 1.036 CV 1 ASSI { 465} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) 2.500 0.800 0.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.64822E-02 ppm1 2.277 ppm2 4.200 CV 1 OR { 465} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HA )) ASSI { 471} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HN )) 3.600 1.600 1.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.14665E-02 ppm1 2.360 ppm2 8.072 CV 1 OR { 471} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 56 and name HN )) ASSI { 492} (( segid " " and resid 78 and name HA )) ( segid " " and resid 58 and name HG2%) 3.000 1.100 1.100 peak 492 spectrum 1 weight 0.10000E+01 volume 0.28901E-02 ppm1 3.740 ppm2 0.971 CV 1 ASSI { 516} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.100 1.200 1.200 peak 516 spectrum 1 weight 0.10000E+01 volume 0.22065E-02 ppm1 3.922 ppm2 8.250 CV 1 ASSI { 527} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB )) 3.300 1.300 1.300 peak 527 spectrum 1 weight 0.10000E+01 volume 0.13723E-02 ppm1 3.942 ppm2 4.387 CV 1 OR { 527} (( segid " " and resid 48 and name HA )) (( segid " " and resid 14 and name HA )) OR { 527} (( segid " " and resid 48 and name HA )) (( segid " " and resid 13 and name HA )) ASSI { 530} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) 3.400 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.98192E-03 ppm1 3.937 ppm2 8.149 CV 1 OR { 530} (( segid " " and resid 48 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 531} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB2 )) 3.200 1.300 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.16152E-02 ppm1 3.942 ppm2 2.019 CV 1 OR { 531} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HG1 )) OR { 531} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HG )) ASSI { 532} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HB2 )) 3.500 1.500 1.500 peak 532 spectrum 1 weight 0.10000E+01 volume 0.17722E-02 ppm1 3.939 ppm2 2.186 CV 1 OR { 532} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 552} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 2.900 1.000 1.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.27542E-02 ppm1 4.129 ppm2 7.807 CV 1 ASSI { 569} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB2 )) 3.000 1.100 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.26413E-02 ppm1 4.225 ppm2 1.658 CV 1 OR { 569} (( segid " " and resid 71 and name HA )) (( segid " " and resid 31 and name HB1 )) ASSI { 632} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HN )) 3.700 1.700 1.700 peak 632 spectrum 1 weight 0.10000E+01 volume 0.18652E-02 ppm1 1.381 ppm2 8.395 CV 1 OR { 632} (( segid " " and resid 45 and name HG )) (( segid " " and resid 35 and name HN )) ASSI { 633} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 35 and name HE% ) 3.400 1.400 1.400 peak 633 spectrum 1 weight 0.10000E+01 volume 0.12495E-02 ppm1 1.378 ppm2 6.966 CV 1 OR { 633} (( segid " " and resid 45 and name HG )) ( segid " " and resid 40 and name HD% ) OR { 633} (( segid " " and resid 45 and name HG )) ( segid " " and resid 35 and name HE% ) ASSI { 675} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HN )) 4.400 2.400 1.600 peak 675 spectrum 1 weight 0.10000E+01 volume 0.95081E-03 ppm1 1.117 ppm2 8.047 CV 1 ASSI { 679} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HN )) 3.700 1.700 1.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.16028E-02 ppm1 0.870 ppm2 8.293 CV 1 ASSI { 749} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HA )) 3.900 1.900 1.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.13222E-02 ppm1 1.046 ppm2 4.356 CV 1 OR { 749} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 36 and name HA )) OR { 749} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 14 and name HA )) ASSI { 750} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) 3.500 1.500 1.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.27452E-02 ppm1 1.046 ppm2 7.705 CV 1 OR { 750} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) ASSI { 753} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HA )) 2.500 0.800 0.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.65876E-02 ppm1 1.113 ppm2 3.935 CV 1 OR { 753} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HA )) ASSI { 849} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.800 1.000 1.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.29608E-02 ppm1 3.323 ppm2 1.042 CV 1 OR { 849} (( segid " " and resid 31 and name HA )) ( segid " " and resid 70 and name HG2%) ASSI { 856} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HN )) 3.000 1.200 1.200 peak 856 spectrum 1 weight 0.10000E+01 volume 0.19506E-02 ppm1 3.880 ppm2 8.284 CV 1 OR { 856} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HN )) ASSI { 866} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.800 1.000 1.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.31755E-02 ppm1 3.882 ppm2 1.686 CV 1 OR { 866} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HG )) ASSI { 882} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HN )) 3.400 1.400 1.400 peak 882 spectrum 1 weight 0.10000E+01 volume 0.12283E-02 ppm1 4.308 ppm2 8.172 CV 1 OR { 882} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 883} (( segid " " and resid 52 and name HA )) (( segid " " and resid 56 and name HN )) 3.400 1.500 1.500 peak 883 spectrum 1 weight 0.10000E+01 volume 0.90496E-03 ppm1 4.315 ppm2 8.074 CV 1 OR { 883} (( segid " " and resid 52 and name HA )) (( segid " " and resid 54 and name HN )) ASSI { 885} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HN )) 3.500 1.500 1.500 peak 885 spectrum 1 weight 0.10000E+01 volume 0.11087E-02 ppm1 4.273 ppm2 8.703 CV 1 OR { 885} (( segid " " and resid 74 and name HA )) (( segid " " and resid 76 and name HN )) OR { 885} (( segid " " and resid 77 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 888} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HG ) 2.100 0.500 0.500 peak 888 spectrum 1 weight 0.10000E+01 volume 0.16581E-01 ppm1 4.271 ppm2 0.983 CV 1 OR { 888} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD2%) OR { 888} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD1%) OR { 888} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG )) OR { 888} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HD1%) OR { 888} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD1%) ASSI { 893} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.400 0.700 0.700 peak 893 spectrum 1 weight 0.10000E+01 volume 0.74572E-02 ppm1 4.195 ppm2 8.243 CV 1 OR { 893} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 894} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.800 1.000 1.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.22915E-02 ppm1 4.204 ppm2 8.047 CV 1 OR { 894} (( segid " " and resid 10 and name HA )) (( segid " " and resid 12 and name HN )) ASSI { 900} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG2 )) 2.800 1.000 1.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.40448E-02 ppm1 4.196 ppm2 2.642 CV 1 OR { 900} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG1 )) ASSI { 902} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) 2.200 0.600 0.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.11549E-01 ppm1 4.195 ppm2 2.265 CV 1 OR { 902} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB1 )) OR { 902} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB1 )) ASSI { 945} (( segid " " and resid 52 and name HG )) ( segid " " and resid 48 and name HG2%) 3.300 1.400 1.400 peak 945 spectrum 1 weight 0.10000E+01 volume 0.13432E-02 ppm1 2.047 ppm2 1.121 CV 1 OR { 945} (( segid " " and resid 52 and name HG )) ( segid " " and resid 10 and name HD2%) ASSI { 962} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 31 and name HA )) 4.200 2.300 1.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.12715E-02 ppm1 2.204 ppm2 3.315 CV 1 ASSI { 1000} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG2 )) 2.300 0.700 0.700 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.67287E-02 ppm1 2.052 ppm2 1.733 CV 1 OR { 1000} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG1 )) ASSI { 1071} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.600 1.600 1.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.26906E-02 ppm1 3.922 ppm2 2.212 CV 1 OR { 1071} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 1087} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 81 and name HB% ) 3.200 1.300 1.300 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.29525E-02 ppm1 4.024 ppm2 1.606 CV 1 OR { 1087} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 83 and name HB% ) OR { 1087} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 81 and name HB% ) OR { 1087} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 83 and name HB% ) ASSI { 1089} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 23 and name HN )) 2.200 0.600 0.600 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.13719E-01 ppm1 4.065 ppm2 8.486 CV 1 OR { 1089} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 23 and name HN )) ASSI { 1117} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 2.300 0.700 0.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.88119E-02 ppm1 4.340 ppm2 8.435 CV 1 ASSI { 1121} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.35918E-02 ppm1 4.355 ppm2 7.839 CV 1 ASSI { 1190} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HN )) 2.800 1.000 1.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.39207E-02 ppm1 3.035 ppm2 8.029 CV 1 OR { 1190} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HN )) OR { 1190} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 12 and name HN )) ASSI { 1252} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.600 0.900 0.900 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.45096E-02 ppm1 4.225 ppm2 8.154 CV 1 OR { 1252} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) OR { 1252} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HN )) OR { 1252} (( segid " " and resid 51 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 1253} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.700 0.900 0.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.36603E-02 ppm1 4.195 ppm2 8.463 CV 1 OR { 1253} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 1311} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 58 and name HG1%) 2.900 1.000 1.000 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.30991E-02 ppm1 2.809 ppm2 0.968 CV 1 ASSI { 1356} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.29380E-02 ppm1 2.401 ppm2 4.252 CV 1 OR { 1356} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 71 and name HA )) ASSI { 1383} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 49 and name HA )) 3.400 1.400 1.400 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.16943E-02 ppm1 0.790 ppm2 3.893 CV 1 OR { 1383} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 1412} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HG2 )) 2.800 1.000 1.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.18834E-02 ppm1 7.308 ppm2 1.392 CV 1 ASSI { 1450} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HD1%) 2.900 1.000 1.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.19572E-02 ppm1 6.738 ppm2 0.899 CV 1 OR { 1450} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD2%) ASSI { 1452} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 82 and name HD1%) 2.600 0.900 0.900 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.41136E-02 ppm1 7.427 ppm2 1.001 CV 1 OR { 1452} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD2%) OR { 1452} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 82 and name HD2%) OR { 1452} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HG2 )) ASSI { 1454} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG11)) 3.000 1.100 1.100 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.20125E-02 ppm1 6.975 ppm2 1.828 CV 1 OR { 1454} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 14 and name HG )) ASSI { 1543} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HN )) 4.500 2.500 1.500 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.96357E-03 ppm1 0.228 ppm2 8.404 CV 1 OR { 1543} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HN )) ASSI { 1581} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HB )) 2.200 0.600 0.600 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.11421E-01 ppm1 1.114 ppm2 2.261 CV 1 ASSI { 1735} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HA )) 3.000 1.100 1.100 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.19225E-02 ppm1 1.498 ppm2 4.591 CV 1 OR { 1735} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HA )) ASSI { 1757} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.33869E-02 ppm1 4.616 ppm2 8.236 CV 1 OR { 1757} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HN )) ASSI { 1763} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.28402E-02 ppm1 4.577 ppm2 7.708 CV 1 OR { 1763} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 1770} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 2.600 0.900 0.900 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.44491E-02 ppm1 4.235 ppm2 7.826 CV 1 OR { 1770} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HN )) ASSI { 1772} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HN )) 3.100 1.200 1.200 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.19865E-02 ppm1 4.269 ppm2 8.301 CV 1 OR { 1772} (( segid " " and resid 74 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 1777} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HN )) 3.600 1.600 1.600 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.15642E-02 ppm1 1.233 ppm2 8.474 CV 1 OR { 1777} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 20 and name HN )) ASSI { 1778} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HN )) 2.700 0.900 0.900 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.43990E-02 ppm1 2.015 ppm2 7.974 CV 1 ASSI { 1782} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HN )) 2.500 0.800 0.800 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.42842E-02 ppm1 2.004 ppm2 8.281 CV 1 ASSI { 1810} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 14 and name HD1%) 3.300 1.300 1.300 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.21728E-02 ppm1 1.978 ppm2 0.729 CV 1 ASSI { 1835} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD1%) 2.600 0.900 0.900 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.44063E-02 ppm1 2.211 ppm2 0.856 CV 1 OR { 1835} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 78 and name HG2%) ASSI { 1848} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) 2.400 0.700 0.700 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.41407E-02 ppm1 4.201 ppm2 1.573 CV 1 ASSI { 1866} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HB1 )) 2.500 0.800 0.800 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.70395E-02 ppm1 4.250 ppm2 2.277 CV 1 OR { 1866} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB2 )) OR { 1866} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HB2 )) ASSI { 1889} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HN )) 3.300 1.400 1.400 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.12736E-02 ppm1 4.366 ppm2 7.708 CV 1 OR { 1889} (( segid " " and resid 35 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 1925} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 3.000 1.100 1.100 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.25083E-02 ppm1 4.205 ppm2 7.808 CV 1 ASSI { 1941} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HA )) 3.100 1.200 1.200 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.25200E-02 ppm1 1.815 ppm2 4.265 CV 1 OR { 1941} (( segid " " and resid 77 and name HG )) (( segid " " and resid 74 and name HA )) ASSI { 1976} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HB1 )) 1.800 0.400 0.400 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.12350E-01 ppm1 2.355 ppm2 2.467 CV 1 OR { 1976} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 1978} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 56 and name HN )) 2.700 0.900 0.900 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.16011E-02 ppm1 1.881 ppm2 8.070 CV 1 OR { 1978} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 54 and name HN )) ASSI { 1979} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 35 and name HE% ) 3.400 1.500 1.500 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.18578E-02 ppm1 1.126 ppm2 6.963 CV 1 ASSI { 1984} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HA )) 2.500 0.800 0.800 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.39835E-02 ppm1 1.575 ppm2 4.206 CV 1 ASSI { 1987} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 37 and name HB1 )) 3.000 3.000 3.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.17351E-02 ppm1 1.526 ppm2 3.028 CV 1 ASSI { 1993} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HB2 )) 3.100 1.200 1.200 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.16591E-02 ppm1 1.773 ppm2 1.418 CV 1 OR { 1993} (( segid " " and resid 33 and name HG )) (( segid " " and resid 71 and name HG2 )) ASSI { 2001} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HA )) 4.000 2.000 2.000 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.89447E-03 ppm1 0.980 ppm2 4.213 CV 1 ASSI { 2019} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 74 and name HB2 )) 3.500 1.600 1.600 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.26813E-02 ppm1 1.116 ppm2 1.672 CV 1 OR { 2019} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HG )) OR { 2019} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 31 and name HB1 )) OR { 2019} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 13 and name HB% ) ASSI { 2031} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 2.800 1.000 1.000 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.23495E-02 ppm1 4.337 ppm2 7.212 CV 1 ASSI { 2034} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HB )) 4.000 2.000 2.000 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.11767E-02 ppm1 3.565 ppm2 1.820 CV 1 OR { 2034} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 77 and name HG )) ASSI { 2040} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 64 and name HG2%) 4.000 2.000 2.000 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.13599E-02 ppm1 2.518 ppm2 0.981 CV 1 OR { 2040} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 60 and name HG2%) OR { 2040} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 64 and name HG1%) ASSI { 2055} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HB2 )) 3.000 1.100 1.100 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.39550E-02 ppm1 0.979 ppm2 1.563 CV 1 ASSI { 2069} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HA )) 2.500 0.800 0.800 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.51122E-02 ppm1 2.015 ppm2 4.257 CV 1 OR { 2069} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) ASSI { 2114} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HG1 )) 1.700 0.400 0.500 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.14364E-01 ppm1 1.712 ppm2 1.957 CV 1 OR { 2114} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HG1 )) OR { 2114} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HB2 )) ASSI { 2119} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 73 and name HA )) 3.200 1.300 1.300 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.15596E-02 ppm1 2.773 ppm2 4.241 CV 1 OR { 2119} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 73 and name HA )) OR { 2119} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 77 and name HA )) OR { 2119} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 77 and name HA )) ASSI { 2121} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 3.100 1.200 1.200 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.21922E-02 ppm1 3.084 ppm2 4.367 CV 1 OR { 2121} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 2185} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 31 and name HD2%) 3.600 1.600 1.600 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.13019E-02 ppm1 2.317 ppm2 0.793 CV 1 OR { 2185} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 75 and name HD1%) ASSI { 2235} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HG )) 2.200 0.600 0.600 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.90954E-02 ppm1 0.802 ppm2 1.575 CV 1 OR { 2235} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB2 )) ASSI { 2273} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HA )) 3.600 1.600 1.600 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.26033E-02 ppm1 2.352 ppm2 4.114 CV 1 OR { 2273} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HB1 )) OR { 2273} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HB2 )) ASSI { 2292} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HA )) 3.600 1.600 1.600 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.10439E-02 ppm1 0.477 ppm2 3.865 CV 1 OR { 2292} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 2309} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 31 and name HD2%) 2.400 0.700 0.700 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.50755E-02 ppm1 1.118 ppm2 0.789 CV 1 OR { 2309} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 75 and name HD1%) ASSI { 2349} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD2%) 2.100 0.600 0.600 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.11159E-01 ppm1 4.301 ppm2 1.016 CV 1 OR { 2349} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD2%) OR { 2349} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD1%) ASSI { 2360} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 35 and name HN )) 3.800 1.800 1.800 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.13254E-02 ppm1 1.034 ppm2 8.370 CV 1 ASSI { 2367} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) 2.900 1.000 1.000 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.34976E-02 ppm1 2.266 ppm2 3.920 CV 1 ASSI { 2377} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HB1 )) 2.300 0.700 0.700 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 2.507 ppm2 2.246 CV 1 OR { 2377} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HB1 )) OR { 2377} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HB1 )) OR { 2377} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HB1 )) ASSI { 2379} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HD2%) 4.100 2.100 1.900 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.14149E-02 ppm1 4.204 ppm2 1.125 CV 1 OR { 2379} (( segid " " and resid 10 and name HA )) ( segid " " and resid 48 and name HG2%) ASSI { 2419} (( segid " " and resid 35 and name HA )) ( segid " " and resid 40 and name HD% ) 3.400 1.500 1.500 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.11832E-02 ppm1 4.366 ppm2 6.966 CV 1 OR { 2419} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HE% ) ASSI { 2420} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 42 and name H8A )) 3.700 2.700 2.300 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.69900E-03 ppm1 1.131 ppm2 7.268 CV 1 OR { 2420} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 42 and name H10A )) ASSI { 2431} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HG )) 3.300 1.400 1.400 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.14960E-02 ppm1 0.929 ppm2 1.845 CV 1 ASSI { 2432} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HB )) 2.200 0.600 0.600 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.91378E-02 ppm1 1.114 ppm2 4.389 CV 1 OR { 2432} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HA )) ASSI { 2444} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 66 and name HA2 )) 3.900 1.900 1.900 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.92181E-03 ppm1 1.339 ppm2 3.896 CV 1 OR { 2444} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 64 and name HA )) ASSI { 2476} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HN )) 3.300 1.300 1.300 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.19952E-02 ppm1 4.618 ppm2 8.810 CV 1 OR { 2476} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HN )) ASSI { 2481} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HN )) 3.300 1.400 1.400 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.11294E-02 ppm1 4.273 ppm2 8.386 CV 1 OR { 2481} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HN )) ASSI { 2511} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HN )) 3.700 1.700 1.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.98058E-03 ppm1 4.095 ppm2 8.097 CV 1 OR { 2511} (( segid " " and resid 55 and name HA )) (( segid " " and resid 54 and name HN )) ASSI { 2540} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HB2 )) 4.300 2.300 1.700 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.86319E-03 ppm1 1.406 ppm2 2.701 CV 1 OR { 2540} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB1 )) OR { 2540} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB2 )) ASSI { 2585} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 32 and name HN )) 3.500 1.600 1.600 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.15878E-02 ppm1 1.629 ppm2 8.030 CV 1 ASSI { 2588} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.38254E-02 ppm1 1.429 ppm2 4.371 CV 1 OR { 2588} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HA )) ASSI { 2590} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HA )) 2.600 0.900 0.900 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.47410E-02 ppm1 2.255 ppm2 4.214 CV 1 OR { 2590} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) ASSI { 2593} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HA )) 2.600 0.800 0.800 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.42806E-02 ppm1 2.145 ppm2 4.357 CV 1 ASSI { 2594} (( segid " " and resid 10 and name HG )) (( segid " " and resid 10 and name HA )) 3.200 1.200 1.200 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.18547E-02 ppm1 1.874 ppm2 4.212 CV 1 OR { 2594} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HA )) ASSI { 2608} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB1 )) 3.500 1.500 1.500 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.25652E-02 ppm1 4.375 ppm2 2.254 CV 1 ASSI { 2629} (( segid " " and resid 19 and name HA1 )) ( segid " " and resid 18 and name HB% ) 3.500 1.600 1.600 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.14570E-02 ppm1 4.063 ppm2 1.520 CV 1 OR { 2629} (( segid " " and resid 19 and name HA2 )) ( segid " " and resid 18 and name HB% ) ASSI { 2645} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 78 and name HA )) 3.600 1.600 1.600 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 0.976 ppm2 3.745 CV 1 ASSI { 2664} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 23 and name HA1 )) 3.600 1.600 1.600 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.16534E-02 ppm1 1.522 ppm2 4.054 CV 1 OR { 2664} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 23 and name HA2 )) ASSI { 2701} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HA )) 3.200 1.300 1.300 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.13338E-02 ppm1 2.028 ppm2 4.223 CV 1 OR { 2701} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) ASSI { 2704} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB1 )) 2.800 1.000 1.000 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.37323E-02 ppm1 4.235 ppm2 2.758 CV 1 OR { 2704} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB2 )) OR { 2704} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HG1 )) ASSI { 2730} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 34 and name HB2 )) 4.300 2.400 1.700 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.55433E-03 ppm1 2.508 ppm2 1.856 CV 1 OR { 2730} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 34 and name HB2 )) OR { 2730} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 38 and name HG11)) OR { 2730} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 38 and name HG11)) ASSI { 2747} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HB1 )) 4.800 2.800 1.200 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.37567E-03 ppm1 3.880 ppm2 2.296 CV 1 OR { 2747} (( segid " " and resid 45 and name HA )) (( segid " " and resid 47 and name HB1 )) OR { 2747} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HB2 )) ASSI { 2751} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HB1 )) 4.500 2.600 1.500 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.53472E-03 ppm1 3.322 ppm2 1.868 CV 1 OR { 2751} (( segid " " and resid 31 and name HA )) (( segid " " and resid 10 and name HG )) ASSI { 2755} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HA )) 4.900 3.000 1.100 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.38531E-03 ppm1 3.612 ppm2 3.887 CV 1 ASSI { 2756} (( segid " " and resid 72 and name HA )) (( segid " " and resid 71 and name HA )) 3.900 1.900 1.900 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.51782E-03 ppm1 3.616 ppm2 4.230 CV 1 OR { 2756} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HA )) ASSI { 2758} (( segid " " and resid 31 and name HA )) (( segid " " and resid 33 and name HN )) 3.800 1.800 1.800 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.10665E-02 ppm1 3.319 ppm2 7.221 CV 1 OR { 2758} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HE% ) ASSI { 2768} (( segid " " and resid 73 and name HA )) (( segid " " and resid 72 and name HN )) 4.900 3.100 1.100 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.37482E-03 ppm1 4.238 ppm2 9.050 CV 1 OR { 2768} (( segid " " and resid 73 and name HA )) (( segid " " and resid 72 and name HE )) ASSI { 2787} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 49 and name HN )) 4.900 3.000 1.100 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.33899E-03 ppm1 1.639 ppm2 8.709 CV 1 OR { 2787} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 49 and name HN )) ASSI { 2800} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 30 and name HE% ) 3.800 1.800 1.800 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.90063E-03 ppm1 2.022 ppm2 7.220 CV 1 ASSI { 2804} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HN )) 3.900 1.900 1.900 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.75153E-03 ppm1 0.928 ppm2 7.955 CV 1 ASSI { 2806} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HN )) 4.800 1.800 1.200 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.52669E-03 ppm1 0.928 ppm2 8.250 CV 1 ASSI { 2808} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HN )) 4.600 2.600 1.400 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.47347E-03 ppm1 1.042 ppm2 9.028 CV 1 ASSI { 2829} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 75 and name HN )) 4.300 2.300 1.700 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.54260E-03 ppm1 1.011 ppm2 8.718 CV 1 OR { 2829} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HN )) ASSI { 2834} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HA )) 4.300 2.400 1.700 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.72400E-03 ppm1 0.229 ppm2 4.387 CV 1 OR { 2834} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 48 and name HB )) ASSI { 2838} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 82 and name HA )) 4.000 2.000 2.000 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.42472E-03 ppm1 0.874 ppm2 4.234 CV 1 ASSI { 2899} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 48 and name HA )) 3.400 1.500 1.500 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.93649E-03 ppm1 1.661 ppm2 3.934 CV 1 OR { 2899} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 49 and name HA )) ASSI { 2914} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 68 and name HB )) 4.000 2.000 2.000 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.56150E-03 ppm1 0.344 ppm2 2.390 CV 1 OR { 2914} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 74 and name HB1 )) ASSI { 2930} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 13 and name HA )) 4.200 2.200 1.800 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.49352E-03 ppm1 2.395 ppm2 4.387 CV 1 ASSI { 2946} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 30 and name HN )) 4.100 2.100 1.900 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.83531E-03 ppm1 0.791 ppm2 8.042 CV 1 OR { 2946} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 32 and name HN )) ASSI { 2954} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 13 and name HA )) 4.500 2.500 1.500 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.37841E-03 ppm1 2.629 ppm2 4.379 CV 1 ASSI { 2955} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 3.200 1.200 1.200 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.83112E-03 ppm1 3.326 ppm2 8.040 CV 1 OR { 2955} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HN )) ASSI { 2982} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 75 and name HA )) 4.300 2.400 1.700 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.34327E-03 ppm1 1.737 ppm2 3.890 CV 1 OR { 2982} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 49 and name HA )) ASSI { 2997} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 73 and name HG1 )) 3.900 1.900 1.900 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.93692E-03 ppm1 1.031 ppm2 2.627 CV 1 ASSI { 3014} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HN )) 3.900 1.900 1.900 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.87768E-03 ppm1 1.114 ppm2 8.463 CV 1 OR { 3014} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 47 and name HN )) ASSI { 3016} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HN )) 3.700 1.700 1.700 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.88913E-03 ppm1 0.978 ppm2 8.275 CV 1 OR { 3016} (( segid " " and resid 74 and name HG )) (( segid " " and resid 78 and name HN )) ASSI { 3018} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 73 and name HN )) 4.400 2.500 1.600 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.56794E-03 ppm1 1.035 ppm2 7.810 CV 1 ASSI { 3035} (( segid " " and resid 52 and name HG )) ( segid " " and resid 52 and name HD2%) 2.400 0.700 0.700 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.40670E-02 ppm1 2.047 ppm2 1.021 CV 1 OR { 3035} (( segid " " and resid 52 and name HG )) ( segid " " and resid 10 and name HD1%) OR { 3035} (( segid " " and resid 52 and name HG )) ( segid " " and resid 74 and name HD2%) ASSI { 3053} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 12 and name HN )) 3.600 1.600 1.600 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.64537E-03 ppm1 1.210 ppm2 8.040 CV 1 OR { 3053} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 10 and name HN )) ASSI { 3072} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 30 and name HN )) 4.100 2.100 1.900 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.69554E-03 ppm1 0.475 ppm2 8.037 CV 1 OR { 3072} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 32 and name HN )) ASSI { 3077} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 33 and name HN )) 4.100 2.100 1.900 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.57840E-03 ppm1 1.033 ppm2 7.213 CV 1 ASSI { 3079} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 40 and name HD% ) 4.300 2.300 1.700 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.10626E-02 ppm1 1.512 ppm2 6.962 CV 1 OR { 3079} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 35 and name HE% ) ASSI { 3084} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 37 and name HN )) 4.700 2.800 1.300 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.37904E-03 ppm1 1.835 ppm2 7.588 CV 1 ASSI { 3138} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 3.200 1.300 1.300 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.20554E-02 ppm1 3.034 ppm2 8.048 CV 1 ASSI { 3153} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD1 )) 4.500 2.600 1.500 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.76960E-03 ppm1 1.817 ppm2 4.013 CV 1 OR { 3153} (( segid " " and resid 60 and name HB )) (( segid " " and resid 65 and name HA )) ASSI { 3160} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 83 and name HN )) 3.300 1.400 1.400 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.11993E-02 ppm1 1.558 ppm2 7.965 CV 1 ASSI { 3191} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HA )) 2.700 2.700 3.300 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.69023E-03 ppm1 0.784 ppm2 4.292 CV 1 OR { 3191} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HA )) OR { 3191} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 77 and name HA )) ASSI { 3209} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HB2 )) 2.700 2.700 3.300 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.94736E-03 ppm1 0.839 ppm2 2.350 CV 1 OR { 3209} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG2 )) ASSI { 3225} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 79 and name HD21)) 4.200 2.300 1.800 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.45923E-03 ppm1 1.374 ppm2 7.388 CV 1 OR { 3225} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 56 and name HD% ) ASSI { 3228} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HA )) 4.400 2.400 1.600 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.25616E-03 ppm1 3.022 ppm2 4.197 CV 1 OR { 3228} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 71 and name HA )) ASSI { 3231} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 28 and name HA2 )) 3.400 3.400 2.600 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.52959E-03 ppm1 2.689 ppm2 3.881 CV 1 ASSI { 3279} (( segid " " and resid 38 and name HB )) (( segid " " and resid 35 and name HA )) 3.600 1.600 1.600 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.88965E-03 ppm1 2.410 ppm2 4.371 CV 1 OR { 3279} (( segid " " and resid 38 and name HB )) (( segid " " and resid 36 and name HA )) ASSI { 3281} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) 3.300 1.300 1.300 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.11299E-02 ppm1 3.066 ppm2 7.700 CV 1 OR { 3281} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 39 and name HN )) ASSI { 3288} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 40 and name HD% ) 3.500 1.500 1.500 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.69355E-03 ppm1 3.540 ppm2 6.964 CV 1 OR { 3288} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HE% ) ASSI { 3308} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HB2 )) 3.800 1.800 1.800 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.70395E-03 ppm1 3.060 ppm2 1.829 CV 1 OR { 3308} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HG11)) ASSI { 3366} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 44 and name HB% ) 3.800 1.800 1.800 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.92589E-03 ppm1 4.131 ppm2 1.522 CV 1 ASSI { 3370} (( segid " " and resid 64 and name HB )) (( segid " " and resid 65 and name HA )) 4.100 2.100 1.900 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.64049E-03 ppm1 2.192 ppm2 4.013 CV 1 OR { 3370} (( segid " " and resid 64 and name HB )) (( segid " " and resid 61 and name HD1 )) ASSI { 3380} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 78 and name HG2%) 2.500 2.500 3.500 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.11548E-02 ppm1 6.806 ppm2 0.870 CV 1 OR { 3380} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD1%) OR { 3380} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 4 and name HD1%) ASSI { 3396} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HB1 )) 4.000 2.000 2.000 peak 3396 spectrum 1 weight 0.10000E+01 volume 0.12197E-02 ppm1 7.169 ppm2 2.956 CV 1 OR { 3396} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 71 and name HD2 )) ASSI { 3397} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HB2 )) 3.900 1.900 1.900 peak 3397 spectrum 1 weight 0.10000E+01 volume 0.91723E-03 ppm1 7.169 ppm2 2.832 CV 1 ASSI { 3411} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 68 and name HG1%) 4.500 2.500 1.500 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.51448E-03 ppm1 7.165 ppm2 1.136 CV 1 OR { 3411} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 68 and name HG1%) ASSI { 3525} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 12 and name HN )) 3.800 1.800 1.800 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.36718E-03 ppm1 1.403 ppm2 8.008 CV 1 OR { 3525} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 32 and name HN )) ASSI { 3526} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 30 and name HN )) 4.100 2.100 1.900 peak 3526 spectrum 1 weight 0.10000E+01 volume 0.43770E-03 ppm1 1.382 ppm2 8.040 CV 1 OR { 3526} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 10 and name HN )) ASSI { 3527} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 56 and name HN )) 4.800 2.900 1.200 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.52565E-03 ppm1 1.352 ppm2 8.069 CV 1 OR { 3527} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 54 and name HN )) ASSI { 3548} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HE )) 4.600 2.600 1.400 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.36841E-03 ppm1 2.058 ppm2 7.550 CV 1 ASSI { 3553} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 69 and name HN )) 4.600 2.700 1.400 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.61929E-03 ppm1 2.453 ppm2 9.052 CV 1 OR { 3553} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 72 and name HN )) ASSI { 3571} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 69 and name HN )) 4.000 2.000 2.000 peak 3571 spectrum 1 weight 0.10000E+01 volume 0.66057E-03 ppm1 2.271 ppm2 9.060 CV 1 OR { 3571} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 72 and name HN )) ASSI { 3603} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HN )) 5.000 3.100 1.000 peak 3603 spectrum 1 weight 0.10000E+01 volume 0.33075E-03 ppm1 3.742 ppm2 7.974 CV 1 OR { 3603} (( segid " " and resid 78 and name HA )) (( segid " " and resid 83 and name HN )) ASSI { 3654} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HA )) 4.300 2.300 1.700 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.51598E-03 ppm1 4.064 ppm2 4.726 CV 1 OR { 3654} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HA )) ASSI { 3661} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 47 and name HB2 )) 3.500 1.500 1.500 peak 3661 spectrum 1 weight 0.10000E+01 volume 0.74939E-03 ppm1 4.135 ppm2 2.194 CV 1 ASSI { 3703} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 64 and name HA )) 4.200 2.200 1.800 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.53502E-03 ppm1 2.049 ppm2 3.892 CV 1 OR { 3703} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 66 and name HA2 )) ASSI { 3706} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 53 and name HA )) 3.900 1.900 1.900 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.47805E-03 ppm1 2.808 ppm2 4.111 CV 1 OR { 3706} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HA2 )) OR { 3706} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HA1 )) OR { 3706} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 55 and name HA )) ASSI { 3744} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 66 and name HA2 )) 5.200 3.400 0.800 peak 3744 spectrum 1 weight 0.10000E+01 volume 0.12500E-03 ppm1 2.789 ppm2 3.907 CV 1 OR { 3744} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HA )) OR { 3744} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 48 and name HA )) ASSI { 3770} (( segid " " and resid 53 and name HA )) (( segid " " and resid 52 and name HN )) 5.400 3.600 0.600 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.28046E-03 ppm1 4.120 ppm2 8.478 CV 1 OR { 3770} (( segid " " and resid 53 and name HA )) (( segid " " and resid 59 and name HN )) ASSI { 3772} (( segid " " and resid 77 and name HA )) (( segid " " and resid 81 and name HN )) 4.400 2.400 1.600 peak 3772 spectrum 1 weight 0.10000E+01 volume 0.35551E-03 ppm1 4.270 ppm2 7.634 CV 1 OR { 3772} (( segid " " and resid 77 and name HA )) (( segid " " and resid 79 and name HD22)) OR { 3772} (( segid " " and resid 74 and name HA )) (( segid " " and resid 79 and name HD22)) ASSI { 3777} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 42 and name HB2 )) 4.900 3.000 1.100 peak 3777 spectrum 1 weight 0.10000E+01 volume 0.40747E-03 ppm1 3.268 ppm2 4.323 CV 1 OR { 3777} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 44 and name HA )) ASSI { 3781} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 35 and name HA )) 4.800 2.900 1.200 peak 3781 spectrum 1 weight 0.10000E+01 volume 0.56553E-03 ppm1 2.963 ppm2 4.364 CV 1 OR { 3781} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 3815} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 38 and name HG2%) 3.400 1.400 1.400 peak 3815 spectrum 1 weight 0.10000E+01 volume 0.14335E-02 ppm1 3.036 ppm2 1.052 CV 1 OR { 3815} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HD2% )) ASSI { 3866} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 53 and name HA )) 2.900 2.900 3.100 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.44948E-03 ppm1 0.869 ppm2 4.109 CV 1 OR { 3866} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 57 and name HA2 )) OR { 3866} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 57 and name HA1 )) ASSI { 3917} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HD2 )) 4.200 2.200 1.800 peak 3917 spectrum 1 weight 0.10000E+01 volume 0.37370E-03 ppm1 0.479 ppm2 3.035 CV 1 ASSI { 3929} (( segid " " and resid 68 and name HB )) ( segid " " and resid 74 and name HD2%) 4.000 2.000 2.000 peak 3929 spectrum 1 weight 0.10000E+01 volume 0.88932E-03 ppm1 2.377 ppm2 0.999 CV 1 OR { 3929} (( segid " " and resid 68 and name HB )) ( segid " " and resid 74 and name HD1%) OR { 3929} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HG )) ASSI { 3959} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 49 and name HB% ) 4.100 2.100 1.900 peak 3959 spectrum 1 weight 0.10000E+01 volume 0.54510E-03 ppm1 2.350 ppm2 1.465 CV 1 OR { 3959} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 52 and name HB2 )) OR { 3959} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 60 and name HG11)) ASSI { 3971} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 17 and name HN )) 4.600 2.700 1.400 peak 3971 spectrum 1 weight 0.10000E+01 volume 0.59694E-03 ppm1 2.624 ppm2 7.806 CV 1 ASSI { 3972} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 17 and name HN )) 5.200 3.300 0.800 peak 3972 spectrum 1 weight 0.10000E+01 volume 0.28671E-03 ppm1 2.392 ppm2 7.804 CV 1 ASSI { 3981} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 48 and name HA )) 3.900 1.900 1.900 peak 3981 spectrum 1 weight 0.10000E+01 volume 0.47435E-03 ppm1 1.639 ppm2 3.923 CV 1 OR { 3981} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 49 and name HA )) OR { 3981} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 48 and name HA )) OR { 3981} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 49 and name HA )) ASSI { 3993} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 40 and name HD% ) 4.800 2.900 1.200 peak 3993 spectrum 1 weight 0.10000E+01 volume 0.62442E-03 ppm1 3.078 ppm2 6.958 CV 1 OR { 3993} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HE% ) ASSI { 4031} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 65 and name HA )) 3.400 1.500 1.500 peak 4031 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 0.949 ppm2 4.012 CV 1 OR { 4031} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 66 and name HA1 )) ASSI { 4032} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 61 and name HD2 )) 3.900 1.900 1.900 peak 4032 spectrum 1 weight 0.10000E+01 volume 0.83824E-03 ppm1 0.950 ppm2 3.581 CV 1 ASSI { 4037} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HD1 )) 3.600 1.600 1.600 peak 4037 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 0.987 ppm2 4.010 CV 1 OR { 4037} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 65 and name HA )) OR { 4037} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 66 and name HA1 )) ASSI { 4072} (( segid " " and resid 74 and name HG )) (( segid " " and resid 75 and name HA )) 3.700 1.700 1.700 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.69456E-03 ppm1 0.934 ppm2 3.910 CV 1 OR { 4072} (( segid " " and resid 74 and name HG )) (( segid " " and resid 49 and name HA )) ASSI { 4098} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 82 and name HN )) 3.700 1.800 1.800 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.89039E-03 ppm1 0.975 ppm2 8.263 CV 1 ASSI { 4108} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HA )) 4.600 2.700 1.400 peak 4108 spectrum 1 weight 0.10000E+01 volume 0.50500E-03 ppm1 1.786 ppm2 4.724 CV 1 ASSI { 4110} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 53 and name HA )) 4.800 2.800 1.200 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.22148E-03 ppm1 2.211 ppm2 4.111 CV 1 OR { 4110} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 54 and name HB2 )) OR { 4110} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 54 and name HB1 )) OR { 4110} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 55 and name HA )) ASSI { 4117} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 45 and name HD1%) 4.200 2.200 1.800 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.67076E-03 ppm1 1.131 ppm2 0.226 CV 1 ASSI { 4179} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HA )) 3.700 1.700 1.700 peak 4179 spectrum 1 weight 0.10000E+01 volume 0.16944E-02 ppm1 1.389 ppm2 4.207 CV 1 OR { 4179} (( segid " " and resid 45 and name HG )) (( segid " " and resid 42 and name HA )) OR { 4179} (( segid " " and resid 45 and name HG )) (( segid " " and resid 46 and name HA )) ASSI { 4186} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 31 and name HB2 )) 4.800 2.900 1.200 peak 4186 spectrum 1 weight 0.10000E+01 volume 0.48142E-03 ppm1 2.208 ppm2 1.058 CV 1 OR { 4186} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 70 and name HG2%) OR { 4186} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 10 and name HD1%) OR { 4186} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 74 and name HD2%) ASSI { 4190} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HN )) 4.200 2.200 1.800 peak 4190 spectrum 1 weight 0.10000E+01 volume 0.70258E-03 ppm1 3.944 ppm2 8.465 CV 1 OR { 4190} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HN )) ASSI { 4192} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 58 and name HA )) 4.000 2.000 2.000 peak 4192 spectrum 1 weight 0.10000E+01 volume 0.66594E-03 ppm1 4.091 ppm2 4.657 CV 1 OR { 4192} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 58 and name HA )) OR { 4192} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HA )) OR { 4192} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 56 and name HA )) ASSI { 4194} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HN )) 3.800 1.800 1.800 peak 4194 spectrum 1 weight 0.10000E+01 volume 0.87990E-03 ppm1 1.720 ppm2 8.154 CV 1 OR { 4194} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 50 and name HN )) ASSI { 4196} (( segid " " and resid 34 and name HG1 )) ( segid " " and resid 70 and name HG2%) 3.600 1.700 1.700 peak 4196 spectrum 1 weight 0.10000E+01 volume 0.92537E-03 ppm1 1.932 ppm2 1.040 CV 1 ASSI { 4224} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 12 and name HB1 )) 4.000 2.000 2.000 peak 4224 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 2.705 ppm2 2.041 CV 1 OR { 4224} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 4224} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB1 )) OR { 4224} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 4224} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 4224} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB2 )) OR { 4224} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 52 and name HG )) OR { 4224} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 12 and name HB1 )) OR { 4224} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 4231} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HN )) 3.000 1.200 1.200 peak 4231 spectrum 1 weight 0.10000E+01 volume 0.26450E-02 ppm1 4.037 ppm2 8.247 CV 1 ASSI { 4240} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD2%) 2.400 0.700 0.700 peak 4240 spectrum 1 weight 0.10000E+01 volume 0.87119E-02 ppm1 1.561 ppm2 0.982 CV 1 OR { 4240} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD1%) ASSI { 4256} (( segid " " and resid 72 and name HD1 )) ( segid " " and resid 31 and name HD2%) 4.600 2.700 1.400 peak 4256 spectrum 1 weight 0.10000E+01 volume 0.42617E-03 ppm1 3.487 ppm2 0.791 CV 1 OR { 4256} (( segid " " and resid 72 and name HD1 )) ( segid " " and resid 75 and name HD1%) ASSI { 4268} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 31 and name HD2%) 4.600 2.600 1.400 peak 4268 spectrum 1 weight 0.10000E+01 volume 0.36783E-03 ppm1 2.404 ppm2 0.807 CV 1 OR { 4268} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 78 and name HD1%) OR { 4268} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 75 and name HD1%) ASSI { 4270} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD2%) 2.700 0.900 0.900 peak 4270 spectrum 1 weight 0.10000E+01 volume 0.57468E-02 ppm1 1.565 ppm2 0.867 CV 1 ASSI { 4271} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD1%) 2.300 0.700 0.700 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.56739E-02 ppm1 1.575 ppm2 0.809 CV 1 ASSI { 4336} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HG2 )) 4.600 2.600 1.400 peak 4336 spectrum 1 weight 0.10000E+01 volume 0.31108E-03 ppm1 3.920 ppm2 2.365 CV 1 OR { 4336} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HB2 )) OR { 4336} (( segid " " and resid 49 and name HA )) (( segid " " and resid 47 and name HB1 )) ASSI { 4340} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 3.400 1.400 1.400 peak 4340 spectrum 1 weight 0.10000E+01 volume 0.10319E-02 ppm1 3.924 ppm2 8.187 CV 1 OR { 4340} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 4365} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HG11)) 4.900 3.000 1.100 peak 4365 spectrum 1 weight 0.10000E+01 volume 0.45742E-03 ppm1 2.964 ppm2 1.827 CV 1 ASSI { 4378} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HN )) 3.200 1.200 1.200 peak 4378 spectrum 1 weight 0.10000E+01 volume 0.11804E-02 ppm1 4.115 ppm2 8.073 CV 1 OR { 4378} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 4413} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 48 and name HA )) 4.500 2.500 1.500 peak 4413 spectrum 1 weight 0.10000E+01 volume 0.27931E-03 ppm1 2.327 ppm2 3.928 CV 1 OR { 4413} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 45 and name HA )) ASSI { 4417} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 60 and name HB )) 4.200 2.200 1.800 peak 4417 spectrum 1 weight 0.10000E+01 volume 0.24544E-03 ppm1 2.461 ppm2 1.843 CV 1 OR { 4417} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 55 and name HB1 )) ASSI { 4492} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 5 and name HB1 )) 4.500 2.500 1.500 peak 4492 spectrum 1 weight 0.10000E+01 volume 0.38892E-03 ppm1 2.763 ppm2 1.592 CV 1 OR { 4492} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 4 and name HB1 )) ASSI { 4510} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HN )) 3.600 1.600 1.600 peak 4510 spectrum 1 weight 0.10000E+01 volume 0.68056E-03 ppm1 4.376 ppm2 7.811 CV 1 ASSI { 4511} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 82 and name HN )) 5.500 3.800 0.500 peak 4511 spectrum 1 weight 0.10000E+01 volume 0.18797E-03 ppm1 2.769 ppm2 8.288 CV 1 OR { 4511} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 78 and name HN )) ASSI { 4512} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 78 and name HN )) 6.000 4.800 0.000 peak 4512 spectrum 1 weight 0.10000E+01 volume 0.15462E-03 ppm1 3.078 ppm2 8.282 CV 1 ASSI { 4515} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 77 and name HN )) 3.500 1.500 1.500 peak 4515 spectrum 1 weight 0.10000E+01 volume 0.66484E-03 ppm1 2.815 ppm2 7.953 CV 1 OR { 4515} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HN )) ASSI { 4539} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 35 and name HA )) 4.800 2.900 1.200 peak 4539 spectrum 1 weight 0.10000E+01 volume 0.23540E-03 ppm1 3.079 ppm2 4.343 CV 1 OR { 4539} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 4556} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 64 and name HG2%) 3.600 1.600 1.600 peak 4556 spectrum 1 weight 0.10000E+01 volume 0.36742E-02 ppm1 2.124 ppm2 0.983 CV 1 OR { 4556} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 60 and name HG2%) OR { 4556} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 64 and name HG1%) ASSI { 4587} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 35 and name HA )) 3.400 1.400 1.400 peak 4587 spectrum 1 weight 0.10000E+01 volume 0.10689E-02 ppm1 6.976 ppm2 4.368 CV 1 ASSI { 4591} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 66 and name HA2 )) 5.200 3.400 0.800 peak 3744 spectrum 1 weight 0.10000E+01 volume 0.12500E-03 ppm1 2.789 ppm2 3.907 CV 1 OR { 4591} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HA )) OR { 4591} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 48 and name HA )) ASSI { 4605} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG1 )) 2.900 1.000 1.000 peak 4605 spectrum 1 weight 0.10000E+01 volume 0.34236E-02 ppm1 3.551 ppm2 1.415 CV 1 OR { 4605} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HB2 )) ASSI { 4612} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD1%) 2.500 0.800 0.800 peak 4612 spectrum 1 weight 0.10000E+01 volume 0.42998E-02 ppm1 3.455 ppm2 0.976 CV 1 OR { 4612} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD2%) ASSI { 4619} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 78 and name HG2%) 3.500 1.600 1.600 peak 4619 spectrum 1 weight 0.10000E+01 volume 0.11862E-02 ppm1 7.427 ppm2 0.881 CV 1 OR { 4619} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD1%) ASSI { 4643} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HN )) 3.500 1.500 1.500 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.20527E-02 ppm1 1.814 ppm2 7.978 CV 1 OR { 4643} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 40 and name HN )) ASSI { 4644} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 4644 spectrum 1 weight 0.10000E+01 volume 0.16767E-02 ppm1 6.740 ppm2 3.887 CV 1 ASSI { 4645} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HA )) 3.300 1.400 1.400 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.15224E-02 ppm1 1.032 ppm2 4.202 CV 1 ASSI { 4649} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 30 and name HB2 )) 3.800 1.800 1.800 peak 4649 spectrum 1 weight 0.10000E+01 volume 0.85481E-03 ppm1 1.399 ppm2 3.033 CV 1 ASSI { 4668} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HN )) 4.200 2.200 1.800 peak 4668 spectrum 1 weight 0.10000E+01 volume 0.11757E-02 ppm1 1.030 ppm2 8.052 CV 1 OR { 4668} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 12 and name HN )) ASSI { 4678} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) 3.300 1.400 1.400 peak 4678 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 3.920 ppm2 7.829 CV 1 ASSI { 4694} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 41 and name HB2 )) 3.000 1.100 1.100 peak 4694 spectrum 1 weight 0.10000E+01 volume 0.22935E-02 ppm1 1.522 ppm2 2.837 CV 1 OR { 4694} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HB2 )) ASSI { 4732} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 14 and name HD2%) 3.200 1.300 1.300 peak 4732 spectrum 1 weight 0.10000E+01 volume 0.11325E-02 ppm1 6.959 ppm2 0.898 CV 1 OR { 4732} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 38 and name HD1%) ASSI { 4737} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 68 and name HB )) 3.700 1.700 1.700 peak 4737 spectrum 1 weight 0.10000E+01 volume 0.59525E-03 ppm1 6.961 ppm2 2.395 CV 1 OR { 4737} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HB1 )) OR { 4737} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 38 and name HB )) ASSI { 4746} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 15 and name HG2%) 3.800 1.800 1.800 peak 4746 spectrum 1 weight 0.10000E+01 volume 0.10109E-02 ppm1 1.979 ppm2 1.120 CV 1 OR { 4746} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 48 and name HG2%) ASSI { 4749} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 15 and name HA )) 4.900 3.100 1.100 peak 4749 spectrum 1 weight 0.10000E+01 volume 0.20002E-03 ppm1 1.972 ppm2 3.918 CV 1 OR { 4749} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 48 and name HA )) ASSI { 4751} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HG )) 2.700 0.900 0.900 peak 4751 spectrum 1 weight 0.10000E+01 volume 0.33615E-02 ppm1 1.437 ppm2 1.840 CV 1 OR { 4751} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 34 and name HB2 )) ASSI { 4849} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 4849 spectrum 1 weight 0.10000E+01 volume 0.53852E-02 ppm1 2.679 ppm2 4.546 CV 1 ASSI { 4851} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HG )) 3.200 1.300 1.300 peak 4851 spectrum 1 weight 0.10000E+01 volume 0.18548E-02 ppm1 2.678 ppm2 1.571 CV 1 OR { 4851} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HB2 )) OR { 4851} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HB1 )) OR { 4851} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 10 and name HB2 )) ASSI { 4854} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HG )) 3.400 1.400 1.400 peak 4854 spectrum 1 weight 0.10000E+01 volume 0.21108E-02 ppm1 3.028 ppm2 1.573 CV 1 OR { 4854} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HB2 )) OR { 4854} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HB1 )) OR { 4854} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 72 and name HB2 )) ASSI { 4910} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 64 and name HA )) 3.600 1.700 1.700 peak 4910 spectrum 1 weight 0.10000E+01 volume 0.90450E-03 ppm1 1.852 ppm2 3.888 CV 1 OR { 4910} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 66 and name HA2 )) ASSI { 4929} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HG )) 2.300 0.700 0.700 peak 4929 spectrum 1 weight 0.10000E+01 volume 0.73816E-02 ppm1 2.014 ppm2 1.823 CV 1 ASSI { 4949} (( segid " " and resid 74 and name HG )) (( segid " " and resid 75 and name HN )) 4.200 2.200 1.800 peak 4949 spectrum 1 weight 0.10000E+01 volume 0.41675E-03 ppm1 0.934 ppm2 8.706 CV 1 OR { 4949} (( segid " " and resid 74 and name HG )) (( segid " " and resid 49 and name HN )) ASSI { 4986} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HN )) 3.300 1.400 1.400 peak 4986 spectrum 1 weight 0.10000E+01 volume 0.20354E-02 ppm1 1.032 ppm2 8.250 CV 1 ASSI { 5016} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 52 and name HD1%) 2.500 0.800 0.800 peak 5016 spectrum 1 weight 0.10000E+01 volume 0.73238E-02 ppm1 1.114 ppm2 0.861 CV 1 OR { 5016} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 14 and name HD2%) ASSI { 5018} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 47 and name HB2 )) 3.700 1.700 1.700 peak 5018 spectrum 1 weight 0.10000E+01 volume 0.53666E-03 ppm1 4.035 ppm2 2.195 CV 1 ASSI { 5024} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HA )) 3.300 1.300 1.300 peak 5024 spectrum 1 weight 0.10000E+01 volume 0.11424E-02 ppm1 1.209 ppm2 3.321 CV 1 ASSI { 5048} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 31 and name HG )) 3.800 1.800 1.800 peak 5048 spectrum 1 weight 0.10000E+01 volume 0.70776E-03 ppm1 7.218 ppm2 1.204 CV 1 ASSI { 5050} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 31 and name HD2%) 4.100 2.100 1.900 peak 5050 spectrum 1 weight 0.10000E+01 volume 0.44880E-03 ppm1 7.224 ppm2 0.798 CV 1 ASSI { 5140} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG2 )) 2.100 0.600 0.600 peak 5140 spectrum 1 weight 0.10000E+01 volume 0.18483E-01 ppm1 2.241 ppm2 2.411 CV 1 OR { 5140} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG2 )) OR { 5140} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG1 )) ASSI { 5152} (( segid " " and resid 17 and name HA )) (( segid " " and resid 19 and name HN )) 4.100 2.100 1.900 peak 5152 spectrum 1 weight 0.10000E+01 volume 0.67374E-03 ppm1 4.549 ppm2 8.246 CV 1 ASSI { 5063} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 45 and name HD2%) 4.000 2.000 2.000 peak 5063 spectrum 1 weight 0.10000E+01 volume 0.67528E-03 ppm1 1.128 ppm2 0.346 CV 1 ASSI { 5069} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 35 and name HD% )) 4.000 3.100 2.000 peak 5069 spectrum 1 weight 0.10000E+01 volume 0.23951E-03 ppm1 1.125 ppm2 4.915 CV 1 ASSI { 5175} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 71 and name HG2 )) 5.100 3.300 0.900 peak 5175 spectrum 1 weight 0.10000E+01 volume 0.34338E-03 ppm1 3.304 ppm2 1.389 CV 1 OR { 5175} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HB2 )) ASSI { 5178} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 31 and name HD2%) 3.700 1.700 1.700 peak 5178 spectrum 1 weight 0.10000E+01 volume 0.71778E-03 ppm1 7.307 ppm2 0.799 CV 1 OR { 5178} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 26 and name HD2%) ASSI { 5180} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HB2 )) 3.700 1.700 1.700 peak 5180 spectrum 1 weight 0.10000E+01 volume 0.30785E-03 ppm1 3.032 ppm2 1.383 CV 1 OR { 5180} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 71 and name HG2 )) ASSI { 5194} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HB1 )) 4.500 2.600 1.500 peak 5194 spectrum 1 weight 0.10000E+01 volume 0.67711E-03 ppm1 0.788 ppm2 1.868 CV 1 OR { 5194} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 10 and name HG )) ASSI { 5199} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HB2 )) 3.200 1.300 1.300 peak 5199 spectrum 1 weight 0.10000E+01 volume 0.29372E-02 ppm1 0.788 ppm2 1.054 CV 1 OR { 5199} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 10 and name HD1%) ASSI { 5207} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) 2.300 0.600 0.600 peak 5207 spectrum 1 weight 0.10000E+01 volume 0.94120E-02 ppm1 4.257 ppm2 1.848 CV 1 OR { 5207} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG )) ASSI { 5208} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 44 and name HA )) 5.600 3.900 0.400 peak 5208 spectrum 1 weight 0.10000E+01 volume 0.24619E-03 ppm1 2.854 ppm2 4.328 CV 1 OR { 5208} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 42 and name HB2 )) ASSI { 5228} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HA )) 4.500 2.100 1.500 peak 5228 spectrum 1 weight 0.10000E+01 volume 0.53510E-03 ppm1 4.354 ppm2 4.558 CV 1 ASSI { 5251} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HB2 )) 1.800 0.400 0.400 peak 5251 spectrum 1 weight 0.10000E+01 volume 0.11374E-01 ppm1 1.635 ppm2 1.042 CV 1 OR { 5251} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 74 and name HD2%) OR { 5251} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 74 and name HD1%) ASSI { 5252} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HG )) 2.500 0.800 0.800 peak 5252 spectrum 1 weight 0.10000E+01 volume 0.47257E-02 ppm1 1.635 ppm2 1.215 CV 1 ASSI { 5261} (( segid " " and resid 68 and name HA )) ( segid " " and resid 77 and name HD2%) 4.000 2.000 2.000 peak 5261 spectrum 1 weight 0.10000E+01 volume 0.87062E-03 ppm1 4.430 ppm2 0.972 CV 1 OR { 5261} (( segid " " and resid 68 and name HA )) ( segid " " and resid 64 and name HG1%) OR { 5261} (( segid " " and resid 68 and name HA )) ( segid " " and resid 77 and name HD1%) OR { 5261} (( segid " " and resid 68 and name HA )) (( segid " " and resid 74 and name HG )) ASSI { 5267} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 68 and name HG1%) 4.500 2.500 1.500 peak 5267 spectrum 1 weight 0.10000E+01 volume 0.35661E-03 ppm1 2.043 ppm2 1.132 CV 1 ASSI { 5290} (( segid " " and resid 4 and name HA )) ( segid " " and resid 82 and name HD2%) 2.800 0.800 0.800 peak 5290 spectrum 1 weight 0.10000E+01 volume 0.62127E-02 ppm1 4.360 ppm2 0.981 CV 1 OR { 5290} (( segid " " and resid 4 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 5318} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 46 and name HB1 )) 4.500 2.500 1.500 peak 5318 spectrum 1 weight 0.10000E+01 volume 0.28301E-03 ppm1 1.008 ppm2 2.292 CV 1 OR { 5318} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 47 and name HB1 )) OR { 5318} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 46 and name HB2 )) ASSI { 5323} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 44 and name HA )) 3.800 1.800 1.800 peak 5323 spectrum 1 weight 0.10000E+01 volume 0.25156E-02 ppm1 2.358 ppm2 4.264 CV 1 OR { 5323} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 50 and name HA )) ASSI { 5326} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 48 and name HA )) 4.600 2.700 1.400 peak 5326 spectrum 1 weight 0.10000E+01 volume 0.19560E-03 ppm1 2.192 ppm2 3.928 CV 1 OR { 5326} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 45 and name HA )) ASSI { 5327} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 17 and name HB2 )) 4.000 2.000 2.000 peak 5327 spectrum 1 weight 0.10000E+01 volume 0.47923E-03 ppm1 2.328 ppm2 4.035 CV 1 ASSI { 5329} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HA )) 4.300 2.300 1.700 peak 5329 spectrum 1 weight 0.10000E+01 volume 0.41048E-03 ppm1 2.359 ppm2 4.377 CV 1 OR { 5329} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 48 and name HB )) OR { 5329} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 14 and name HA )) ASSI { 5410} (( segid " " and resid 68 and name HG1% )) (( segid " " and resid 35 and name HZ )) 4.200 1.900 1.200 peak 5410 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.128 ppm2 6.895 CV 1 ASSI { 5637} (( segid " " and resid 4 and name HD1% )) (( segid " " and resid 82 and name HG )) 4.200 1.900 1.200 peak 5637 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.128 ppm2 6.895 CV 1 ASSI { 38} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG2%) 3.700 1.700 1.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.21016E-02 ppm1 7.703 ppm2 1.048 CV 1 ASSI { 39} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 3.100 1.200 1.200 peak 39 spectrum 1 weight 0.10000E+01 volume 0.14980E-02 ppm1 7.702 ppm2 2.407 CV 1 ASSI { 40} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 3.000 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.20500E-02 ppm1 7.702 ppm2 4.580 CV 1 ASSI { 42} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.700 1.700 1.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.71844E-03 ppm1 7.703 ppm2 4.813 CV 1 ASSI { 44} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.97250E-03 ppm1 7.700 ppm2 2.996 CV 1 ASSI { 150} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.24180E-02 ppm1 7.443 ppm2 8.542 CV 1 ASSI { 168} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 2.600 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.30725E-02 ppm1 7.765 ppm2 8.724 CV 1 ASSI { 182} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 2.600 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.32253E-02 ppm1 8.049 ppm2 8.826 CV 1 ASSI { 184} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.800 1.800 1.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.15484E-02 ppm1 8.032 ppm2 3.278 CV 1 ASSI { 186} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB1 )) 3.100 1.200 1.200 peak 186 spectrum 1 weight 0.10000E+01 volume 0.19620E-02 ppm1 7.979 ppm2 2.759 CV 1 OR { 186} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB2 )) ASSI { 188} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.200 1.300 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.24806E-02 ppm1 8.049 ppm2 3.036 CV 1 ASSI { 189} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.900 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.23114E-02 ppm1 7.983 ppm2 4.589 CV 1 ASSI { 192} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 2.700 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.40933E-02 ppm1 7.963 ppm2 4.279 CV 1 ASSI { 193} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.700 0.900 0.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.25552E-02 ppm1 8.049 ppm2 4.205 CV 1 ASSI { 192} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 3.000 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.40933E-02 ppm1 7.963 ppm2 4.215 CV 1 ASSI { 195} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HA2 )) 3.500 1.500 1.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.75019E-03 ppm1 7.966 ppm2 4.030 CV 1 ASSI { 196} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA2 )) 3.100 1.200 1.200 peak 196 spectrum 1 weight 0.10000E+01 volume 0.15676E-02 ppm1 7.983 ppm2 3.858 CV 1 ASSI { 197} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.300 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.36469E-02 ppm1 7.983 ppm2 2.959 CV 1 ASSI { 198} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.500 2.500 3.500 peak 198 spectrum 1 weight 0.10000E+01 volume 0.23375E-02 ppm1 7.984 ppm2 2.828 CV 1 ASSI { 200} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.500 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.37759E-02 ppm1 8.049 ppm2 2.315 CV 1 ASSI { 204} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.400 0.700 0.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.42582E-02 ppm1 8.050 ppm2 1.574 CV 1 ASSI { 210} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 2.200 0.600 0.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.85950E-02 ppm1 9.059 ppm2 4.426 CV 1 ASSI { 215} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.900 1.000 1.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.23743E-02 ppm1 8.399 ppm2 3.880 CV 1 ASSI { 217} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.100 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.29065E-02 ppm1 9.060 ppm2 2.983 CV 1 ASSI { 218} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.000 1.100 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.20087E-02 ppm1 9.060 ppm2 2.855 CV 1 ASSI { 219} (( segid " " and resid 69 and name HN )) (( segid " " and resid 73 and name HB1 )) 4.200 2.200 1.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 9.060 ppm2 2.446 CV 1 ASSI { 220} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.600 0.900 0.900 peak 220 spectrum 1 weight 0.10000E+01 volume 0.24911E-02 ppm1 8.725 ppm2 2.404 CV 1 ASSI { 221} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB )) 3.800 1.800 1.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.16437E-02 ppm1 9.060 ppm2 2.382 CV 1 ASSI { 223} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.500 0.800 0.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.36608E-02 ppm1 8.725 ppm2 2.154 CV 1 ASSI { 225} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.400 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.45370E-02 ppm1 8.724 ppm2 1.571 CV 1 ASSI { 226} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HB% ) 2.500 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.57021E-02 ppm1 8.399 ppm2 1.507 CV 1 ASSI { 227} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG1%) 4.000 2.000 2.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.21039E-02 ppm1 9.060 ppm2 1.133 CV 1 ASSI { 228} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD2%) 3.200 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.17257E-02 ppm1 8.724 ppm2 1.121 CV 1 ASSI { 231} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD2%) 4.600 2.600 1.400 peak 231 spectrum 1 weight 0.10000E+01 volume 0.98119E-03 ppm1 8.400 ppm2 0.339 CV 1 ASSI { 232} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD1%) 4.700 2.800 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.94300E-03 ppm1 8.399 ppm2 0.232 CV 1 ASSI { 233} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 3.400 1.500 1.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.12926E-02 ppm1 8.177 ppm2 4.371 CV 1 ASSI { 234} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 3.300 1.400 1.400 peak 234 spectrum 1 weight 0.10000E+01 volume 0.10377E-02 ppm1 8.175 ppm2 4.332 CV 1 ASSI { 238} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.500 0.800 0.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.38482E-02 ppm1 7.766 ppm2 2.402 CV 1 ASSI { 240} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.39698E-02 ppm1 8.176 ppm2 1.877 CV 1 ASSI { 241} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.45718E-02 ppm1 7.765 ppm2 1.664 CV 1 ASSI { 242} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.600 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.32210E-02 ppm1 8.175 ppm2 1.583 CV 1 ASSI { 243} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG1 )) 4.200 2.200 1.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 8.177 ppm2 1.347 CV 1 ASSI { 245} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD2%) 4.300 2.300 1.700 peak 245 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 7.766 ppm2 1.020 CV 1 OR { 245} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 246} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG2 )) 4.400 2.400 1.600 peak 246 spectrum 1 weight 0.10000E+01 volume 0.88949E-03 ppm1 8.177 ppm2 0.984 CV 1 ASSI { 250} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.30221E-02 ppm1 7.891 ppm2 4.541 CV 1 ASSI { 252} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 3.200 1.300 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.22828E-02 ppm1 8.465 ppm2 4.362 CV 1 ASSI { 255} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA1 )) 2.600 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.75383E-02 ppm1 8.465 ppm2 4.052 CV 1 ASSI { 256} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.600 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.47320E-02 ppm1 8.464 ppm2 3.926 CV 1 ASSI { 257} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.300 1.400 1.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.35403E-02 ppm1 7.891 ppm2 3.030 CV 1 ASSI { 260} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG1 )) 3.200 1.300 1.300 peak 260 spectrum 1 weight 0.10000E+01 volume 0.21042E-02 ppm1 8.460 ppm2 2.595 CV 1 ASSI { 263} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.500 0.800 0.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.83583E-02 ppm1 8.464 ppm2 2.061 CV 1 ASSI { 264} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.800 1.000 1.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.39413E-02 ppm1 8.464 ppm2 1.991 CV 1 ASSI { 269} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HG2%) 2.300 0.700 0.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.76585E-02 ppm1 8.465 ppm2 1.116 CV 1 ASSI { 270} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HG1%) 3.500 1.500 1.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.46690E-02 ppm1 8.464 ppm2 1.029 CV 1 ASSI { 274} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HA )) 3.200 1.300 1.300 peak 274 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 8.825 ppm2 4.616 CV 1 ASSI { 275} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.800 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.28463E-02 ppm1 8.240 ppm2 4.614 CV 1 ASSI { 276} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 3.500 1.500 1.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.14245E-02 ppm1 8.273 ppm2 4.446 CV 1 ASSI { 282} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 3.300 1.400 1.400 peak 282 spectrum 1 weight 0.10000E+01 volume 0.99176E-03 ppm1 8.828 ppm2 4.204 CV 1 ASSI { 289} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 2.700 0.900 0.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.28895E-02 ppm1 8.303 ppm2 3.742 CV 1 ASSI { 290} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.27182E-02 ppm1 8.826 ppm2 3.549 CV 1 ASSI { 291} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG1 )) 3.400 1.400 1.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.18357E-02 ppm1 8.241 ppm2 2.785 CV 1 ASSI { 293} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG2 )) 3.000 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.23397E-02 ppm1 8.245 ppm2 2.377 CV 1 ASSI { 294} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.600 0.800 0.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.24891E-02 ppm1 8.825 ppm2 2.312 CV 1 ASSI { 295} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.300 0.600 0.600 peak 295 spectrum 1 weight 0.10000E+01 volume 0.12279E-01 ppm1 8.243 ppm2 2.267 CV 1 ASSI { 296} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.200 1.300 1.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.41667E-02 ppm1 8.149 ppm2 2.186 CV 1 ASSI { 297} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) 2.500 0.800 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.29920E-02 ppm1 8.247 ppm2 2.141 CV 1 ASSI { 298} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.400 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.64441E-02 ppm1 8.827 ppm2 2.042 CV 1 OR { 298} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 300} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.600 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.35891E-02 ppm1 7.719 ppm2 2.021 CV 1 ASSI { 302} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB )) 2.100 0.600 0.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.81261E-02 ppm1 8.304 ppm2 1.923 CV 1 ASSI { 303} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG )) 3.700 1.700 1.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.92381E-03 ppm1 8.826 ppm2 1.900 CV 1 ASSI { 304} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG )) 2.200 0.600 0.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.46090E-02 ppm1 8.274 ppm2 1.850 CV 1 ASSI { 306} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HG2 )) 3.600 1.600 1.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.11448E-02 ppm1 8.148 ppm2 1.726 CV 1 ASSI { 315} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG12)) 3.000 1.100 1.100 peak 315 spectrum 1 weight 0.10000E+01 volume 0.22007E-02 ppm1 8.304 ppm2 1.267 CV 1 ASSI { 330} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG1 )) 2.500 0.800 0.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 8.881 ppm2 2.763 CV 1 ASSI { 331} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 2.700 0.900 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.21268E-02 ppm1 8.882 ppm2 2.474 CV 1 ASSI { 332} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.800 1.000 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.45343E-02 ppm1 8.882 ppm2 2.355 CV 1 ASSI { 333} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.500 1.500 1.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.18314E-02 ppm1 8.882 ppm2 2.210 CV 1 ASSI { 336} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.700 0.900 0.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.25524E-02 ppm1 8.383 ppm2 1.432 CV 1 ASSI { 337} (( segid " " and resid 14 and name HN )) ( segid " " and resid 48 and name HG2%) 3.300 1.300 1.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.16674E-02 ppm1 8.384 ppm2 1.118 CV 1 ASSI { 338} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) 2.800 1.000 1.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.51593E-02 ppm1 8.486 ppm2 2.835 CV 1 OR { 338} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 341} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB1 )) 3.700 1.700 1.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.14482E-02 ppm1 8.741 ppm2 2.514 CV 1 ASSI { 342} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 3.300 1.400 1.400 peak 342 spectrum 1 weight 0.10000E+01 volume 0.13799E-02 ppm1 7.215 ppm2 5.049 CV 1 ASSI { 344} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 7.215 ppm2 4.334 CV 1 ASSI { 345} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HD1 )) 3.800 1.800 1.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.86859E-03 ppm1 7.215 ppm2 4.047 CV 1 ASSI { 346} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG )) 2.800 0.500 0.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.80244E-02 ppm1 7.215 ppm2 1.779 CV 1 ASSI { 348} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD1%) 3.300 1.300 1.300 peak 348 spectrum 1 weight 0.10000E+01 volume 0.18988E-02 ppm1 7.214 ppm2 0.950 CV 1 ASSI { 357} (( segid " " and resid 75 and name HN )) (( segid " " and resid 77 and name HN )) 4.000 2.000 2.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.65238E-03 ppm1 8.725 ppm2 7.984 CV 1 ASSI { 377} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 2.300 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.76763E-02 ppm1 9.421 ppm2 4.361 CV 1 ASSI { 381} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.200 1.300 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.25924E-02 ppm1 9.420 ppm2 1.476 CV 1 ASSI { 384} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD1%) 3.300 1.400 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.15093E-02 ppm1 9.420 ppm2 0.882 CV 1 ASSI { 385} (( segid " " and resid 5 and name HN )) ( segid " " and resid 75 and name HD1%) 4.200 2.200 1.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.60239E-03 ppm1 9.422 ppm2 0.793 CV 1 ASSI { 386} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD1%) 4.300 2.300 1.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.12231E-02 ppm1 9.420 ppm2 0.632 CV 1 OR { 386} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD2%) ASSI { 387} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG2 )) 3.800 1.800 1.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.55211E-03 ppm1 8.237 ppm2 2.366 CV 1 ASSI { 388} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB )) 2.700 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.31681E-02 ppm1 8.236 ppm2 1.820 CV 1 ASSI { 389} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG11)) 3.200 1.300 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.14148E-02 ppm1 8.236 ppm2 1.490 CV 1 ASSI { 390} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG12)) 3.600 1.700 1.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.11488E-02 ppm1 8.238 ppm2 1.135 CV 1 ASSI { 399} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.000 1.100 1.100 peak 399 spectrum 1 weight 0.10000E+01 volume 0.20827E-02 ppm1 8.155 ppm2 1.479 CV 1 ASSI { 400} (( segid " " and resid 4 and name HN )) ( segid " " and resid 3 and name HG2%) 3.400 1.400 1.400 peak 400 spectrum 1 weight 0.10000E+01 volume 0.21706E-02 ppm1 8.154 ppm2 1.378 CV 1 ASSI { 401} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD2%) 4.100 2.100 1.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.11680E-02 ppm1 8.153 ppm2 0.964 CV 1 ASSI { 402} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD1%) 4.200 2.200 1.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.11125E-02 ppm1 8.154 ppm2 0.883 CV 1 ASSI { 407} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.300 0.700 0.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.64181E-02 ppm1 7.823 ppm2 1.852 CV 1 ASSI { 409} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG )) 3.600 1.600 1.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.19213E-02 ppm1 7.822 ppm2 1.736 CV 1 ASSI { 411} (( segid " " and resid 81 and name HN )) ( segid " " and resid 81 and name HB% ) 2.800 0.700 0.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.89976E-02 ppm1 7.620 ppm2 1.628 CV 1 ASSI { 415} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD2%) 4.300 2.300 1.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.83854E-03 ppm1 7.822 ppm2 1.048 CV 1 OR { 415} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD1%) ASSI { 416} (( segid " " and resid 81 and name HN )) ( segid " " and resid 58 and name HG2%) 4.600 2.600 1.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.76788E-03 ppm1 7.620 ppm2 0.971 CV 1 ASSI { 417} (( segid " " and resid 81 and name HN )) ( segid " " and resid 78 and name HG2%) 4.500 1.900 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.54597E-03 ppm1 7.617 ppm2 0.870 CV 1 ASSI { 422} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HB% ) 2.400 0.700 0.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.69423E-02 ppm1 8.702 ppm2 1.456 CV 1 ASSI { 424} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.100 1.200 1.200 peak 424 spectrum 1 weight 0.10000E+01 volume 0.33932E-02 ppm1 8.448 ppm2 1.463 CV 1 ASSI { 426} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HG2%) 3.500 1.500 1.500 peak 426 spectrum 1 weight 0.10000E+01 volume 0.19928E-02 ppm1 8.591 ppm2 1.262 CV 1 ASSI { 432} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD1%) 3.700 1.700 1.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.13535E-02 ppm1 8.449 ppm2 0.693 CV 1 ASSI { 438} (( segid " " and resid 41 and name HN )) ( segid " " and resid 44 and name HB% ) 2.600 0.800 0.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.40248E-02 ppm1 8.032 ppm2 1.525 CV 1 ASSI { 443} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB1 )) 4.300 2.300 1.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.56024E-03 ppm1 7.822 ppm2 3.285 CV 1 ASSI { 444} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB2 )) 4.700 2.700 1.300 peak 444 spectrum 1 weight 0.10000E+01 volume 0.38008E-03 ppm1 7.823 ppm2 2.853 CV 1 ASSI { 445} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.300 1.300 1.300 peak 445 spectrum 1 weight 0.10000E+01 volume 0.36036E-02 ppm1 8.591 ppm2 2.875 CV 1 ASSI { 446} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.700 1.700 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.82915E-03 ppm1 8.449 ppm2 2.875 CV 1 ASSI { 448} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.900 1.900 1.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.89798E-03 ppm1 8.449 ppm2 2.759 CV 1 ASSI { 449} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.500 1.500 1.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.70549E-03 ppm1 8.032 ppm2 2.953 CV 1 ASSI { 513} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.300 0.700 0.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.73477E-02 ppm1 8.235 ppm2 4.815 CV 1 ASSI { 515} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 3.000 1.100 1.100 peak 515 spectrum 1 weight 0.10000E+01 volume 0.16064E-02 ppm1 8.235 ppm2 4.591 CV 1 ASSI { 516} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HD1 )) 5.000 3.100 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.25262E-03 ppm1 8.236 ppm2 4.032 CV 1 ASSI { 517} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) 4.100 2.100 1.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.95985E-03 ppm1 8.235 ppm2 3.774 CV 1 OR { 517} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB1 )) ASSI { 578} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 4.300 2.300 1.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.73337E-03 ppm1 8.155 ppm2 9.419 CV 1 ASSI { 626} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HN )) 4.300 2.300 1.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.26246E-03 ppm1 7.622 ppm2 8.873 CV 1 ASSI { 633} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 3.800 1.800 1.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.77396E-03 ppm1 7.824 ppm2 8.392 CV 1 ASSI { 637} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HN )) 2.600 0.900 0.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.32136E-02 ppm1 7.621 ppm2 8.376 CV 1 ASSI { 640} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HN )) 2.100 0.500 0.500 peak 640 spectrum 1 weight 0.10000E+01 volume 0.45463E-02 ppm1 7.620 ppm2 8.277 CV 1 ASSI { 675} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HA )) 3.900 1.900 1.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.41996E-03 ppm1 7.618 ppm2 4.897 CV 1 ASSI { 676} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 2.900 1.900 1.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.41996E-03 ppm1 7.840 ppm2 4.469 CV 1 ASSI { 677} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.33721E-02 ppm1 7.620 ppm2 4.453 CV 1 ASSI { 681} (( segid " " and resid 81 and name HN )) (( segid " " and resid 77 and name HA )) 4.700 2.700 1.300 peak 681 spectrum 1 weight 0.10000E+01 volume 0.49371E-03 ppm1 7.620 ppm2 4.277 CV 1 ASSI { 682} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 682 spectrum 1 weight 0.10000E+01 volume 0.38728E-02 ppm1 7.822 ppm2 4.248 CV 1 ASSI { 683} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HA )) 5.300 3.500 0.700 peak 683 spectrum 1 weight 0.10000E+01 volume 0.39804E-03 ppm1 7.620 ppm2 4.219 CV 1 ASSI { 684} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA2 )) 2.700 0.900 0.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.30013E-02 ppm1 7.621 ppm2 4.024 CV 1 OR { 684} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA1 )) ASSI { 686} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HA )) 3.300 1.300 1.300 peak 686 spectrum 1 weight 0.10000E+01 volume 0.11990E-02 ppm1 7.620 ppm2 3.741 CV 1 ASSI { 747} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 3.000 1.100 1.100 peak 747 spectrum 1 weight 0.10000E+01 volume 0.22766E-02 ppm1 8.591 ppm2 4.710 CV 1 ASSI { 748} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.400 0.700 0.700 peak 748 spectrum 1 weight 0.10000E+01 volume 0.74799E-02 ppm1 8.448 ppm2 4.711 CV 1 ASSI { 752} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.24843E-02 ppm1 8.701 ppm2 4.400 CV 1 ASSI { 754} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 2.400 0.700 0.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.91641E-02 ppm1 8.592 ppm2 4.330 CV 1 ASSI { 761} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.700 0.900 0.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.30761E-02 ppm1 8.704 ppm2 3.922 CV 1 ASSI { 806} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 3.200 1.300 1.300 peak 806 spectrum 1 weight 0.10000E+01 volume 0.14008E-02 ppm1 8.032 ppm2 4.749 CV 1 ASSI { 808} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 2.200 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.94032E-02 ppm1 8.032 ppm2 4.588 CV 1 ASSI { 809} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.300 1.300 1.300 peak 809 spectrum 1 weight 0.10000E+01 volume 0.17546E-02 ppm1 7.842 ppm2 4.555 CV 1 ASSI { 813} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.33275E-02 ppm1 7.842 ppm2 4.362 CV 1 ASSI { 814} (( segid " " and resid 41 and name HN )) (( segid " " and resid 44 and name HA )) 4.400 2.400 1.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.11489E-02 ppm1 8.021 ppm2 4.284 CV 1 ASSI { 816} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HA )) 4.200 2.200 1.800 peak 816 spectrum 1 weight 0.10000E+01 volume 0.46383E-03 ppm1 7.841 ppm2 4.203 CV 1 ASSI { 817} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.400 1.500 1.500 peak 817 spectrum 1 weight 0.10000E+01 volume 0.12799E-02 ppm1 7.843 ppm2 4.129 CV 1 ASSI { 819} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.500 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.82301E-03 ppm1 7.842 ppm2 3.923 CV 1 ASSI { 825} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 2.800 1.000 1.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.26276E-02 ppm1 8.660 ppm2 4.848 CV 1 ASSI { 826} (( segid " " and resid 35 and name HN )) (( segid " " and resid 70 and name HA )) 3.100 1.200 1.200 peak 826 spectrum 1 weight 0.10000E+01 volume 0.14763E-02 ppm1 8.370 ppm2 4.911 CV 1 ASSI { 827} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.200 0.600 0.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.75021E-02 ppm1 8.049 ppm2 4.848 CV 1 ASSI { 828} (( segid " " and resid 83 and name HN )) (( segid " " and resid 79 and name HA )) 2.800 2.800 3.200 peak 828 spectrum 1 weight 0.10000E+01 volume 0.55301E-03 ppm1 7.962 ppm2 4.900 CV 1 ASSI { 832} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 4.200 2.200 1.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.59223E-03 ppm1 7.213 ppm2 2.368 CV 1 ASSI { 833} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 2.200 0.600 0.600 peak 833 spectrum 1 weight 0.10000E+01 volume 0.43017E-02 ppm1 7.215 ppm2 8.026 CV 1 ASSI { 837} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HN )) 4.200 2.200 1.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.56128E-03 ppm1 7.219 ppm2 8.434 CV 1 ASSI { 838} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 3.300 1.400 1.400 peak 838 spectrum 1 weight 0.10000E+01 volume 0.21503E-02 ppm1 7.445 ppm2 4.537 CV 1 ASSI { 840} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB )) 2.400 0.700 0.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.48262E-02 ppm1 7.443 ppm2 2.193 CV 1 ASSI { 841} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.900 1.100 1.100 peak 841 spectrum 1 weight 0.10000E+01 volume 0.13082E-02 ppm1 7.441 ppm2 2.082 CV 1 ASSI { 844} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG2%) 2.500 0.800 0.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.50941E-02 ppm1 7.442 ppm2 0.985 CV 1 OR { 844} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 845} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 2.800 1.000 1.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.47043E-02 ppm1 7.526 ppm2 1.633 CV 1 ASSI { 846} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG )) 2.400 0.700 0.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.43795E-02 ppm1 7.530 ppm2 1.212 CV 1 ASSI { 849} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD2%) 3.000 1.100 1.100 peak 849 spectrum 1 weight 0.10000E+01 volume 0.16429E-02 ppm1 7.527 ppm2 0.792 CV 1 ASSI { 851} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.000 1.100 1.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.30777E-02 ppm1 7.587 ppm2 3.074 CV 1 ASSI { 852} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.800 1.000 1.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.25377E-02 ppm1 7.592 ppm2 3.004 CV 1 ASSI { 854} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG2 )) 3.600 1.600 1.600 peak 854 spectrum 1 weight 0.10000E+01 volume 0.12904E-02 ppm1 7.596 ppm2 2.507 CV 1 OR { 854} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG1 )) ASSI { 855} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG2 )) 3.900 1.900 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.11626E-02 ppm1 7.761 ppm2 2.546 CV 1 ASSI { 856} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG1 )) 3.900 1.900 1.900 peak 856 spectrum 1 weight 0.10000E+01 volume 0.11626E-02 ppm1 7.761 ppm2 2.546 CV 1 ASSI { 857} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 2.900 1.100 1.100 peak 857 spectrum 1 weight 0.10000E+01 volume 0.16745E-02 ppm1 7.761 ppm2 2.276 CV 1 ASSI { 858} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.900 1.100 1.100 peak 858 spectrum 1 weight 0.10000E+01 volume 0.38854E-02 ppm1 7.761 ppm2 2.127 CV 1 ASSI { 859} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HB% ) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.29490E-02 ppm1 7.761 ppm2 1.601 CV 1 ASSI { 865} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD1%) 3.600 1.600 1.600 peak 865 spectrum 1 weight 0.10000E+01 volume 0.12945E-02 ppm1 7.526 ppm2 0.477 CV 1 ASSI { 866} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.100 1.200 1.200 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10068E-02 ppm1 7.764 ppm2 2.276 CV 1 ASSI { 867} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB )) 2.900 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.25517E-02 ppm1 8.176 ppm2 2.192 CV 1 ASSI { 869} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG1 )) 4.400 2.400 1.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.48895E-03 ppm1 8.371 ppm2 1.943 CV 1 ASSI { 870} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.000 2.000 2.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.81447E-03 ppm1 8.375 ppm2 1.838 CV 1 ASSI { 871} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG2 )) 4.000 2.000 2.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.65542E-03 ppm1 8.371 ppm2 1.624 CV 1 ASSI { 872} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG2 )) 4.700 2.700 1.300 peak 872 spectrum 1 weight 0.10000E+01 volume 0.11747E-02 ppm1 8.738 ppm2 2.091 CV 1 ASSI { 873} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.500 0.800 0.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.26916E-02 ppm1 8.371 ppm2 3.084 CV 1 ASSI { 875} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.700 1.700 1.700 peak 875 spectrum 1 weight 0.10000E+01 volume 0.15704E-02 ppm1 8.371 ppm2 3.540 CV 1 ASSI { 876} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.700 0.900 0.900 peak 876 spectrum 1 weight 0.10000E+01 volume 0.56879E-02 ppm1 8.661 ppm2 3.884 CV 1 ASSI { 877} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA1 )) 2.800 1.000 1.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.33930E-02 ppm1 8.661 ppm2 4.248 CV 1 ASSI { 886} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HD% ) 3.000 1.100 1.100 peak 886 spectrum 1 weight 0.10000E+01 volume 0.16538E-02 ppm1 8.371 ppm2 7.169 CV 1 ASSI { 891} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.200 1.300 1.300 peak 891 spectrum 1 weight 0.10000E+01 volume 0.34266E-02 ppm1 8.124 ppm2 1.845 CV 1 ASSI { 892} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HB% ) 2.300 0.700 0.700 peak 892 spectrum 1 weight 0.10000E+01 volume 0.79091E-02 ppm1 8.124 ppm2 1.525 CV 1 ASSI { 893} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.300 1.400 1.400 peak 893 spectrum 1 weight 0.10000E+01 volume 0.47438E-02 ppm1 7.978 ppm2 1.918 CV 1 ASSI { 894} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.600 0.800 0.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.51275E-02 ppm1 7.978 ppm2 2.019 CV 1 ASSI { 895} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.100 1.200 1.200 peak 895 spectrum 1 weight 0.10000E+01 volume 0.12002E-02 ppm1 7.454 ppm2 4.913 CV 1 ASSI { 896} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 3.200 1.300 1.300 peak 896 spectrum 1 weight 0.10000E+01 volume 0.16260E-02 ppm1 7.455 ppm2 4.423 CV 1 ASSI { 897} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.200 1.700 1.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.13194E-02 ppm1 7.455 ppm2 2.984 CV 1 ASSI { 898} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.400 1.600 1.600 peak 898 spectrum 1 weight 0.10000E+01 volume 0.99907E-03 ppm1 7.454 ppm2 2.859 CV 1 ASSI { 899} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HG2 )) 3.700 1.700 1.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.83030E-03 ppm1 7.456 ppm2 2.603 CV 1 ASSI { 901} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.600 1.600 1.600 peak 901 spectrum 1 weight 0.10000E+01 volume 0.31736E-02 ppm1 7.455 ppm2 2.453 CV 1 ASSI { 902} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.18639E-02 ppm1 7.455 ppm2 2.273 CV 1 ASSI { 903} (( segid " " and resid 70 and name HN )) ( segid " " and resid 68 and name HG1%) 3.500 1.600 1.600 peak 903 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 7.455 ppm2 1.128 CV 1 ASSI { 904} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HG2%) 3.000 1.200 1.200 peak 904 spectrum 1 weight 0.10000E+01 volume 0.21904E-02 ppm1 7.455 ppm2 1.039 CV 1 ASSI { 905} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HB1 )) 3.400 1.500 1.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.29761E-02 ppm1 7.662 ppm2 3.082 CV 1 ASSI { 908} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HB2 )) 3.400 1.500 1.500 peak 908 spectrum 1 weight 0.10000E+01 volume 0.24014E-02 ppm1 7.661 ppm2 2.771 CV 1 ASSI { 915} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HB2 )) 4.100 2.100 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.69730E-03 ppm1 7.383 ppm2 1.374 CV 1 ASSI { 917} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 78 and name HG2%) 3.100 1.200 1.200 peak 917 spectrum 1 weight 0.10000E+01 volume 0.14147E-02 ppm1 7.662 ppm2 0.875 CV 1 ASSI { 919} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 75 and name HD1%) 3.000 1.100 1.100 peak 919 spectrum 1 weight 0.10000E+01 volume 0.18947E-02 ppm1 7.662 ppm2 0.791 CV 1 ASSI { 922} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 3.700 1.700 1.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.66632E-03 ppm1 8.240 ppm2 4.191 CV 1 ASSI { 923} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA2 )) 2.400 0.700 0.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.97080E-02 ppm1 8.241 ppm2 4.056 CV 1 OR { 923} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA1 )) ASSI { 924} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HA )) 3.700 1.700 1.700 peak 924 spectrum 1 weight 0.10000E+01 volume 0.88149E-03 ppm1 8.242 ppm2 3.928 CV 1 ASSI { 925} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HB% ) 3.000 1.100 1.100 peak 925 spectrum 1 weight 0.10000E+01 volume 0.26661E-02 ppm1 8.241 ppm2 1.523 CV 1 ASSI { 927} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 3.300 1.400 1.400 peak 927 spectrum 1 weight 0.10000E+01 volume 0.11672E-02 ppm1 7.739 ppm2 4.357 CV 1 ASSI { 928} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA1 )) 3.000 1.100 1.100 peak 928 spectrum 1 weight 0.10000E+01 volume 0.34787E-02 ppm1 7.738 ppm2 4.245 CV 1 ASSI { 929} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA2 )) 2.400 0.800 0.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.52455E-02 ppm1 7.738 ppm2 3.856 CV 1 ASSI { 930} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 3.400 1.500 1.500 peak 930 spectrum 1 weight 0.10000E+01 volume 0.77870E-03 ppm1 7.735 ppm2 2.409 CV 1 ASSI { 951} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG1%) 3.900 1.900 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.92213E-03 ppm1 7.946 ppm2 0.952 CV 1 ASSI { 952} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.500 1.500 1.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.76435E-03 ppm1 7.947 ppm2 2.806 CV 1 ASSI { 953} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.500 1.600 1.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.97196E-03 ppm1 7.950 ppm2 4.707 CV 1 ASSI { 954} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA )) 3.600 1.600 1.600 peak 954 spectrum 1 weight 0.10000E+01 volume 0.72641E-03 ppm1 7.945 ppm2 4.367 CV 1 ASSI { 955} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA2 )) 2.300 0.600 0.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.10689E-01 ppm1 7.948 ppm2 4.093 CV 1 OR { 955} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA1 )) ASSI { 959} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HA )) 4.300 2.400 1.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.41062E-03 ppm1 8.487 ppm2 4.335 CV 1 ASSI { 962} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA2 )) 2.400 0.700 0.700 peak 962 spectrum 1 weight 0.10000E+01 volume 0.96872E-02 ppm1 8.491 ppm2 4.067 CV 1 OR { 962} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA1 )) ASSI { 964} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) 4.300 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.14756E-02 ppm1 8.492 ppm2 2.834 CV 1 OR { 964} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 977} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.900 1.100 1.100 peak 977 spectrum 1 weight 0.10000E+01 volume 0.19679E-02 ppm1 7.502 ppm2 4.649 CV 1 ASSI { 983} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 983 spectrum 1 weight 0.10000E+01 volume 0.13687E-02 ppm1 8.074 ppm2 4.214 CV 1 ASSI { 992} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.800 1.800 1.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.16205E-02 ppm1 8.074 ppm2 2.471 CV 1 ASSI { 995} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.400 1.500 1.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.28312E-02 ppm1 8.073 ppm2 2.361 CV 1 ASSI { 998} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB )) 3.700 1.800 1.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.12709E-02 ppm1 7.501 ppm2 2.124 CV 1 ASSI { 1001} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG2%) 2.500 0.800 0.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.47027E-02 ppm1 7.501 ppm2 0.939 CV 1 OR { 1001} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 1008} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 3.000 1.100 1.100 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.17725E-02 ppm1 8.028 ppm2 5.049 CV 1 ASSI { 1015} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.200 1.200 1.200 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.32420E-02 ppm1 8.026 ppm2 2.364 CV 1 ASSI { 1016} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HG )) 3.800 1.900 1.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.11991E-02 ppm1 8.028 ppm2 1.777 CV 1 OR { 1016} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 1017} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.300 1.400 1.400 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.15326E-02 ppm1 8.026 ppm2 1.631 CV 1 ASSI { 1018} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG )) 4.300 2.300 1.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.41429E-03 ppm1 8.029 ppm2 1.212 CV 1 ASSI { 1021} (( segid " " and resid 32 and name HN )) ( segid " " and resid 33 and name HD1%) 5.100 3.200 0.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.46085E-03 ppm1 8.029 ppm2 0.950 CV 1 ASSI { 1022} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HD2%) 4.700 2.800 1.300 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.38432E-03 ppm1 8.025 ppm2 0.786 CV 1 ASSI { 1028} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA1 )) 2.700 0.900 0.900 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.41456E-02 ppm1 8.567 ppm2 4.247 CV 1 ASSI { 1030} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.600 1.600 1.600 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.14410E-02 ppm1 8.568 ppm2 4.045 CV 1 ASSI { 1032} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.700 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.42771E-02 ppm1 8.567 ppm2 3.881 CV 1 ASSI { 1039} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.700 1.700 1.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.77311E-03 ppm1 8.383 ppm2 4.904 CV 1 ASSI { 1041} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 3.400 1.400 1.400 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.10165E-02 ppm1 8.384 ppm2 4.268 CV 1 ASSI { 1042} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA1 )) 2.400 0.700 0.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.90940E-02 ppm1 8.384 ppm2 4.025 CV 1 OR { 1042} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 1044} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.600 1.600 1.600 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 8.386 ppm2 3.081 CV 1 ASSI { 1045} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.400 1.400 1.400 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.10092E-02 ppm1 8.383 ppm2 2.769 CV 1 ASSI { 1058} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 3.000 1.100 1.100 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.35050E-02 ppm1 8.928 ppm2 4.747 CV 1 ASSI { 1060} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.600 0.800 0.800 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.51842E-02 ppm1 8.929 ppm2 4.196 CV 1 ASSI { 1060} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 2.600 0.800 0.800 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.51842E-02 ppm1 8.929 ppm2 4.196 CV 1 ASSI { 1062} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 2.300 0.700 0.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.51363E-02 ppm1 8.929 ppm2 3.281 CV 1 ASSI { 1070} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.200 0.600 0.600 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.81885E-02 ppm1 9.046 ppm2 4.541 CV 1 ASSI { 1071} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.500 1.600 1.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.66536E-03 ppm1 9.045 ppm2 4.773 CV 1 ASSI { 1072} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG )) 3.400 1.400 1.400 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 9.047 ppm2 1.572 CV 1 ASSI { 1079} (( segid " " and resid 6 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.700 1.700 1.700 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.22732E-02 ppm1 9.047 ppm2 3.032 CV 1 ASSI { 1092} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 3.000 1.200 1.200 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.17673E-02 ppm1 8.065 ppm2 4.705 CV 1 ASSI { 1103} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HD1%) 4.400 2.500 1.600 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.10149E-02 ppm1 7.702 ppm2 0.892 CV 1 ASSI { 1107} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HG2%) 3.200 1.300 1.300 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.25386E-02 ppm1 8.250 ppm2 1.231 CV 1 ASSI { 1109} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.300 1.300 1.300 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.14424E-02 ppm1 8.249 ppm2 2.239 CV 1 ASSI { 1110} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.800 1.900 1.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.90414E-03 ppm1 8.248 ppm2 2.076 CV 1 ASSI { 1112} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB )) 3.100 1.200 1.200 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.19981E-02 ppm1 8.249 ppm2 4.367 CV 1 ASSI { 1134} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB )) 2.100 0.600 0.600 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.52354E-02 ppm1 8.844 ppm2 4.849 CV 1 ASSI { 1135} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.39413E-02 ppm1 8.843 ppm2 4.772 CV 1 ASSI { 1136} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB )) 2.900 1.000 1.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.31191E-02 ppm1 8.844 ppm2 4.311 CV 1 ASSI { 1137} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.26999E-02 ppm1 8.844 ppm2 3.864 CV 1 ASSI { 1139} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HG2%) 3.000 1.100 1.100 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.38775E-02 ppm1 8.844 ppm2 1.394 CV 1 ASSI { 1140} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD2%) 3.800 1.800 1.800 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.63852E-03 ppm1 8.845 ppm2 0.875 CV 1 ASSI { 1141} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD1%) 3.900 1.900 1.900 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.65424E-03 ppm1 8.840 ppm2 0.789 CV 1 ASSI { 1157} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB )) 3.300 1.300 1.300 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.24175E-02 ppm1 7.547 ppm2 2.384 CV 1 ASSI { 1161} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HG2%) 2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.73989E-02 ppm1 7.547 ppm2 1.141 CV 1 ASSI { 1165} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.000 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.21579E-02 ppm1 7.547 ppm2 4.426 CV 1 ASSI { 1166} (( segid " " and resid 68 and name HN )) (( segid " " and resid 65 and name HA )) 4.400 2.400 1.600 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.69379E-03 ppm1 7.549 ppm2 4.016 CV 1 ASSI { 1167} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA2 )) 3.800 1.800 1.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.60642E-03 ppm1 7.547 ppm2 3.895 CV 1 ASSI { 1180} (( segid " " and resid 84 and name HN )) (( segid " " and resid 81 and name HA )) 3.400 1.200 1.200 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.27814E-02 ppm1 7.759 ppm2 4.288 CV 1 ASSI { 1183} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 3.100 1.200 1.200 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.27814E-02 ppm1 7.759 ppm2 4.288 CV 1 ASSI { 1186} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB1 )) 3.100 1.200 1.200 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.83682E-03 ppm1 7.831 ppm2 1.857 CV 1 ASSI { 1196} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.400 1.400 1.400 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.33067E-02 ppm1 7.832 ppm2 2.451 CV 1 ASSI { 1197} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.600 0.800 0.800 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.23099E-02 ppm1 7.832 ppm2 2.271 CV 1 ASSI { 1199} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) 2.800 0.800 0.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.87209E-02 ppm1 8.017 ppm2 2.025 CV 1 ASSI { 1200} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) 3.700 1.700 1.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.23865E-02 ppm1 8.017 ppm2 1.918 CV 1 ASSI { 1201} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG1 )) 3.500 1.500 1.500 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.68881E-03 ppm1 8.016 ppm2 1.413 CV 1 ASSI { 1202} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 3.500 1.500 1.500 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.79686E-03 ppm1 8.017 ppm2 3.554 CV 1 ASSI { 1204} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HA )) 2.800 2.800 3.200 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.56413E-03 ppm1 8.019 ppm2 4.606 CV 1 ASSI { 1205} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HA )) 3.500 1.500 1.500 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.86508E-03 ppm1 8.018 ppm2 4.530 CV 1 ASSI { 1217} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.200 1.300 1.300 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.16354E-02 ppm1 7.800 ppm2 4.205 CV 1 ASSI { 1218} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) 2.900 1.000 1.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.26904E-02 ppm1 7.799 ppm2 4.129 CV 1 ASSI { 1221} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.200 1.300 1.300 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.12491E-02 ppm1 7.798 ppm2 2.135 CV 1 ASSI { 1222} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HN )) 2.900 1.100 1.100 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.18168E-02 ppm1 7.596 ppm2 9.632 CV 1 ASSI { 1223} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 7.591 ppm2 4.813 CV 1 ASSI { 1225} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) 4.600 2.600 1.400 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.11186E-02 ppm1 7.524 ppm2 4.847 CV 1 ASSI { 1226} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 3.600 1.600 1.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.89373E-03 ppm1 7.525 ppm2 4.723 CV 1 ASSI { 1230} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HN )) 3.500 1.500 1.500 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.87963E-03 ppm1 7.890 ppm2 9.042 CV 1 ASSI { 1243} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD2%) 3.500 1.500 1.500 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.13958E-02 ppm1 8.382 ppm2 0.886 CV 1 ASSI { 1251} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HE )) 3.900 1.900 1.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.15811E-02 ppm1 8.828 ppm2 7.327 CV 1 ASSI { 1253} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HN )) 4.100 2.100 1.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.57380E-03 ppm1 8.830 ppm2 7.886 CV 1 ASSI { 1264} (( segid " " and resid 53 and name HN )) ( segid " " and resid 58 and name HG1%) 4.700 2.800 1.300 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.46408E-03 ppm1 8.881 ppm2 0.944 CV 1 ASSI { 1269} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB )) 3.000 1.100 1.100 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.13690E-02 ppm1 9.022 ppm2 4.588 CV 1 ASSI { 1271} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD1 )) 3.900 1.900 1.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 9.023 ppm2 4.043 CV 1 ASSI { 1272} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.700 0.900 0.900 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.22717E-02 ppm1 9.022 ppm2 3.615 CV 1 ASSI { 1273} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.13795E-02 ppm1 9.024 ppm2 3.323 CV 1 ASSI { 1275} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.900 1.000 1.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.15954E-02 ppm1 9.023 ppm2 2.023 CV 1 ASSI { 1276} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.700 0.900 0.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.29739E-02 ppm1 9.023 ppm2 1.863 CV 1 ASSI { 1277} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.30374E-02 ppm1 9.023 ppm2 1.613 CV 1 ASSI { 1281} (( segid " " and resid 72 and name HN )) ( segid " " and resid 31 and name HD1%) 4.100 2.100 1.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.11911E-02 ppm1 9.024 ppm2 0.479 CV 1 ASSI { 1282} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 2.800 1.000 1.000 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.16917E-02 ppm1 9.023 ppm2 7.826 CV 1 ASSI { 1291} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.400 1.400 1.400 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.11145E-02 ppm1 8.667 ppm2 4.383 CV 1 ASSI { 1292} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.700 0.900 0.900 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.42987E-02 ppm1 8.666 ppm2 4.278 CV 1 ASSI { 1293} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB )) 3.200 1.300 1.300 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.19766E-02 ppm1 8.670 ppm2 4.182 CV 1 ASSI { 1318} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 3.000 1.100 1.100 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.22488E-02 ppm1 8.543 ppm2 4.446 CV 1 ASSI { 1319} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 2.700 0.900 0.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.27316E-02 ppm1 8.543 ppm2 2.820 CV 1 ASSI { 1320} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.800 1.000 1.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.40766E-02 ppm1 8.543 ppm2 2.740 CV 1 ASSI { 1321} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.200 1.200 1.200 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.13873E-02 ppm1 8.543 ppm2 2.085 CV 1 ASSI { 1322} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB )) 2.400 0.700 0.700 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.47052E-02 ppm1 8.479 ppm2 2.122 CV 1 ASSI { 1324} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG1 )) 3.200 1.300 1.300 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.26889E-02 ppm1 8.434 ppm2 1.934 CV 1 ASSI { 1325} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.600 0.800 0.800 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.34261E-02 ppm1 8.434 ppm2 1.830 CV 1 ASSI { 1326} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.300 1.400 1.400 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.16608E-02 ppm1 8.434 ppm2 1.629 CV 1 ASSI { 1328} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.700 0.900 0.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.20804E-02 ppm1 8.434 ppm2 1.418 CV 1 ASSI { 1329} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG2%) 3.600 1.600 1.600 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.23570E-02 ppm1 8.480 ppm2 0.953 CV 1 ASSI { 1330} (( segid " " and resid 34 and name HN )) ( segid " " and resid 38 and name HG2%) 3.100 1.200 1.200 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.14997E-02 ppm1 8.434 ppm2 1.045 CV 1 ASSI { 1331} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HD1%) 3.300 1.400 1.400 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.18491E-02 ppm1 8.433 ppm2 0.948 CV 1 ASSI { 1334} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.200 1.200 1.200 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.18986E-02 ppm1 8.250 ppm2 4.045 CV 1 ASSI { 1335} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.100 1.200 1.200 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.24539E-02 ppm1 8.249 ppm2 3.969 CV 1 ASSI { 1338} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.900 1.000 1.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.28444E-02 ppm1 8.107 ppm2 4.330 CV 1 ASSI { 1339} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB )) 2.900 1.100 1.100 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.33072E-02 ppm1 8.108 ppm2 4.223 CV 1 ASSI { 1341} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA2 )) 2.600 0.900 0.900 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.51223E-02 ppm1 8.108 ppm2 4.068 CV 1 OR { 1341} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA1 )) ASSI { 1347} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 2.400 0.700 0.700 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.75202E-02 ppm1 8.433 ppm2 4.337 CV 1 ASSI { 1348} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 3.200 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.11075E-02 ppm1 8.434 ppm2 4.733 CV 1 ASSI { 1351} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 2.400 0.700 0.700 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.62595E-02 ppm1 7.455 ppm2 9.058 CV 1 ASSI { 1363} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 3.000 1.100 1.100 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.21847E-02 ppm1 8.292 ppm2 3.935 CV 1 ASSI { 1365} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB )) 2.600 0.900 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.32138E-02 ppm1 8.292 ppm2 4.400 CV 1 ASSI { 1368} (( segid " " and resid 48 and name HN )) (( segid " " and resid 17 and name HB2 )) 4.100 2.100 1.900 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.45071E-03 ppm1 8.291 ppm2 4.034 CV 1 ASSI { 1369} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG1 )) 3.100 3.100 2.900 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.39194E-03 ppm1 8.297 ppm2 2.602 CV 1 ASSI { 1370} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG2 )) 4.600 2.700 1.400 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.47038E-03 ppm1 8.291 ppm2 2.444 CV 1 ASSI { 1371} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 3.400 1.500 1.500 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.17815E-02 ppm1 8.291 ppm2 2.318 CV 1 ASSI { 1372} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.000 1.100 1.100 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.17383E-02 ppm1 8.291 ppm2 2.187 CV 1 ASSI { 1373} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HB% ) 4.500 2.500 1.500 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.80414E-03 ppm1 8.291 ppm2 1.458 CV 1 ASSI { 1374} (( segid " " and resid 48 and name HN )) ( segid " " and resid 48 and name HG2%) 4.000 2.000 2.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 8.291 ppm2 1.114 CV 1 ASSI { 1383} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB1 )) 2.800 1.000 1.000 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.32434E-02 ppm1 8.480 ppm2 3.768 CV 1 OR { 1383} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 1385} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.900 1.100 1.100 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.20870E-02 ppm1 8.478 ppm2 4.817 CV 1 ASSI { 1394} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG2 )) 3.300 1.300 1.300 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.21478E-02 ppm1 9.628 ppm2 2.506 CV 1 OR { 1394} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG1 )) ASSI { 1397} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 2.800 1.000 1.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.34127E-02 ppm1 9.627 ppm2 2.209 CV 1 ASSI { 1402} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.800 1.800 1.800 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.94640E-03 ppm1 9.629 ppm2 3.541 CV 1 ASSI { 1403} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 3.100 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.12437E-02 ppm1 9.628 ppm2 8.371 CV 1 ASSI { 1408} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 2.700 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.56972E-02 ppm1 8.045 ppm2 4.019 CV 1 ASSI { 1409} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA2 )) 2.900 1.000 1.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.52510E-02 ppm1 8.043 ppm2 3.900 CV 1 ASSI { 1410} (( segid " " and resid 66 and name HN )) ( segid " " and resid 65 and name HB% ) 3.000 1.100 1.100 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 8.044 ppm2 1.337 CV 1 ASSI { 1411} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HB% ) 2.400 0.700 0.700 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.72058E-02 ppm1 7.842 ppm2 1.528 CV 1 ASSI { 1413} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.700 0.900 0.900 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.34590E-02 ppm1 8.124 ppm2 4.288 CV 1 ASSI { 1422} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HN )) 3.500 1.500 1.500 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.16189E-02 ppm1 7.386 ppm2 9.419 CV 1 ASSI { 1424} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HA )) 2.900 2.900 3.100 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.98861E-02 ppm1 8.739 ppm2 4.531 CV 1 ASSI { 1425} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.700 0.900 0.900 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.33941E-02 ppm1 8.738 ppm2 4.446 CV 1 ASSI { 1426} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.100 1.200 1.200 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.31100E-02 ppm1 8.661 ppm2 2.891 CV 1 ASSI { 1427} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 2.800 1.000 1.000 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.36712E-02 ppm1 8.661 ppm2 2.675 CV 1 ASSI { 1428} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD% ) 3.300 1.400 1.400 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.18089E-02 ppm1 7.983 ppm2 6.978 CV 1 ASSI { 1437} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HA )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.49484E-03 ppm1 8.385 ppm2 3.738 CV 1 ASSI { 1444} (( segid " " and resid 39 and name HN )) ( segid " " and resid 40 and name HD% ) 4.300 2.300 1.700 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.54586E-03 ppm1 7.736 ppm2 6.988 CV 1 ASSI { 1446} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB )) 4.200 2.200 1.800 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.41089E-03 ppm1 7.455 ppm2 4.591 CV 1 ASSI { 1447} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD2%) 3.800 1.800 1.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.63444E-03 ppm1 7.384 ppm2 0.959 CV 1 ASSI { 1448} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB2 )) 4.200 2.200 1.800 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.51560E-03 ppm1 7.661 ppm2 1.376 CV 1 ASSI { 1454} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB )) 4.600 2.600 1.400 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.46279E-03 ppm1 8.381 ppm2 1.919 CV 1 ASSI { 1455} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HG2%) 4.500 2.600 1.500 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.72006E-03 ppm1 8.543 ppm2 0.983 CV 1 ASSI { 1456} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB1 )) 3.800 1.800 1.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.78171E-03 ppm1 8.544 ppm2 2.516 CV 1 ASSI { 1457} (( segid " " and resid 3 and name HN )) ( segid " " and resid 3 and name HG2%) 3.800 1.800 1.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.63526E-03 ppm1 8.667 ppm2 1.375 CV 1 ASSI { 1474} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HB1 )) 4.900 3.000 1.100 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.51700E-03 ppm1 7.873 ppm2 2.194 CV 1 ASSI { 1475} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HB2 )) 5.100 3.200 0.900 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.42913E-03 ppm1 7.873 ppm2 1.830 CV 1 ASSI { 1492} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HB% )) 3.000 0.900 0.900 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.52628E-03 ppm1 4.449 ppm2 7.957 CV 1 ASSI { 1493} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB% )) 2.800 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.52628E-03 ppm1 4.449 ppm2 7.957 CV 1 ASSI { 1504} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB1 )) 4.400 2.400 1.600 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.79163E-03 ppm1 9.066 ppm2 1.857 CV 1 ASSI { 1506} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.11209E-02 ppm1 9.068 ppm2 1.634 CV 1 ASSI { 1516} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HG1 )) 3.700 1.700 1.700 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.41960E-03 ppm1 7.192 ppm2 1.346 CV 1 ASSI { 1517} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HD1 )) 3.600 1.600 1.600 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.58922E-03 ppm1 7.195 ppm2 3.083 CV 1 ASSI { 1534} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 2.800 1.000 1.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.25785E-02 ppm1 7.969 ppm2 4.469 CV 1 ASSI { 1544} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.900 1.100 1.100 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.35000E-02 ppm1 8.491 ppm2 4.725 CV 1 ASSI { 1545} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.400 0.700 0.700 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.30615E-02 ppm1 8.064 ppm2 2.807 CV 1 ASSI { 1548} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HG )) 3.800 1.800 1.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.68927E-03 ppm1 8.048 ppm2 1.207 CV 1 ASSI { 1550} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD2%) 4.600 2.600 1.400 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.89529E-03 ppm1 8.052 ppm2 1.118 CV 1 ASSI { 1551} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD1%) 4.200 2.200 1.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.12094E-02 ppm1 8.049 ppm2 1.039 CV 1 ASSI { 1552} (( segid " " and resid 10 and name HN )) ( segid " " and resid 5 and name HD1%) 3.700 1.700 1.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.77467E-03 ppm1 8.049 ppm2 0.629 CV 1 ASSI { 1554} (( segid " " and resid 40 and name HN )) (( segid " " and resid 35 and name HB1 )) 4.100 2.100 1.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.61135E-03 ppm1 7.987 ppm2 3.539 CV 1 ASSI { 1555} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 2.400 0.700 0.700 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.41549E-02 ppm1 8.371 ppm2 4.730 CV 1 ASSI { 1557} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.000 1.100 1.100 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.24436E-02 ppm1 8.486 ppm2 4.731 CV 1 ASSI { 1558} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG )) 3.500 1.600 1.600 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.21033E-02 ppm1 7.978 ppm2 1.815 CV 1 ASSI { 1560} (( segid " " and resid 35 and name HN )) ( segid " " and resid 70 and name HG2%) 3.700 1.700 1.700 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.13397E-02 ppm1 8.371 ppm2 1.040 CV 1 ASSI { 1561} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 8.049 ppm2 4.728 CV 1 ASSI { 1562} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.600 1.600 1.600 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.95240E-03 ppm1 7.978 ppm2 4.484 CV 1 ASSI { 1566} (( segid " " and resid 72 and name HN )) (( segid " " and resid 32 and name HA )) 4.100 2.100 1.900 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.46323E-03 ppm1 9.022 ppm2 5.050 CV 1 ASSI { 1567} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HA )) 4.600 2.600 1.400 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.36959E-03 ppm1 9.020 ppm2 4.913 CV 1 ASSI { 1575} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD1 )) 4.400 2.400 1.600 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.32577E-03 ppm1 8.436 ppm2 3.441 CV 1 ASSI { 1576} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD2 )) 4.200 2.200 1.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.49536E-03 ppm1 8.434 ppm2 3.341 CV 1 ASSI { 1577} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD2 )) 5.100 3.200 0.900 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.27608E-03 ppm1 9.021 ppm2 3.030 CV 1 ASSI { 1578} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD2 )) 3.400 1.400 1.400 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.43212E-03 ppm1 9.026 ppm2 2.921 CV 1 ASSI { 1595} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HA )) 3.700 1.700 1.700 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.65947E-03 ppm1 8.049 ppm2 4.547 CV 1 ASSI { 1598} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HA )) 4.200 1.700 1.700 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.65947E-03 ppm1 8.049 ppm2 4.547 CV 1 ASSI { 1605} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HA )) 3.900 1.900 1.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.54006E-03 ppm1 8.177 ppm2 4.542 CV 1 ASSI { 1612} (( segid " " and resid 44 and name HN )) ( segid " " and resid 43 and name HD2%) 4.600 2.700 1.400 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.44521E-03 ppm1 8.124 ppm2 1.026 CV 1 OR { 1612} (( segid " " and resid 44 and name HN )) ( segid " " and resid 43 and name HD1%) ASSI { 1613} (( segid " " and resid 49 and name HN )) ( segid " " and resid 74 and name HD2%) 5.500 3.700 0.500 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.25997E-03 ppm1 8.698 ppm2 1.017 CV 1 OR { 1613} (( segid " " and resid 49 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 1622} (( segid " " and resid 53 and name HN )) (( segid " " and resid 49 and name HA )) 3.900 1.900 1.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.48032E-03 ppm1 8.881 ppm2 3.927 CV 1 ASSI { 1623} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HG )) 4.700 2.800 1.300 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.38654E-03 ppm1 9.022 ppm2 1.214 CV 1 ASSI { 1624} (( segid " " and resid 72 and name HN )) ( segid " " and resid 31 and name HD2%) 4.000 2.000 2.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.55616E-03 ppm1 9.021 ppm2 0.790 CV 1 ASSI { 1626} (( segid " " and resid 53 and name HN )) ( segid " " and resid 50 and name HB% ) 4.500 2.500 1.500 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.50848E-03 ppm1 8.882 ppm2 1.642 CV 1 ASSI { 1627} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.13601E-02 ppm1 8.882 ppm2 1.453 CV 1 ASSI { 1630} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG )) 4.200 2.200 1.800 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.58897E-03 ppm1 8.881 ppm2 2.041 CV 1 ASSI { 1636} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG )) 4.500 2.500 1.500 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.74405E-03 ppm1 8.048 ppm2 1.889 CV 1 ASSI { 1640} (( segid " " and resid 30 and name HN )) ( segid " " and resid 31 and name HD2%) 4.600 2.600 1.400 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.46361E-03 ppm1 8.049 ppm2 0.787 CV 1 ASSI { 1644} (( segid " " and resid 40 and name HN )) (( segid " " and resid 35 and name HB2 )) 4.900 3.000 1.100 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.44726E-03 ppm1 7.983 ppm2 3.068 CV 1 ASSI { 1647} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG2 )) 4.100 2.100 1.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.49927E-03 ppm1 7.764 ppm2 2.586 CV 1 ASSI { 1648} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB1 )) 4.900 3.000 1.100 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.40878E-03 ppm1 7.765 ppm2 2.152 CV 1 ASSI { 1653} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HB1 )) 5.100 3.300 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.23331E-03 ppm1 8.177 ppm2 2.814 CV 1 ASSI { 1656} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HB2 )) 5.100 3.200 0.900 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.30320E-03 ppm1 8.177 ppm2 2.803 CV 1 ASSI { 1662} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.800 1.800 1.800 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.83263E-03 ppm1 7.550 ppm2 1.858 CV 1 ASSI { 1663} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 4.200 2.200 1.800 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.61675E-03 ppm1 7.548 ppm2 2.057 CV 1 ASSI { 1664} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG1 )) 4.200 2.200 1.800 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.62061E-03 ppm1 7.550 ppm2 1.725 CV 1 ASSI { 1667} (( segid " " and resid 35 and name HN )) (( segid " " and resid 69 and name HA )) 4.200 2.200 1.800 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.43023E-03 ppm1 8.372 ppm2 5.281 CV 1 ASSI { 1669} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) 3.900 1.900 1.900 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 8.125 ppm2 4.211 CV 1 ASSI { 1670} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HA )) 4.400 1.900 1.200 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 7.962 ppm2 4.463 CV 1 ASSI { 1673} (( segid " " and resid 62 and name HN )) ( segid " " and resid 64 and name HG2%) 4.300 2.300 1.700 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.42308E-03 ppm1 8.740 ppm2 0.984 CV 1 ASSI { 1676} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HG1 )) 4.900 3.000 1.100 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.39038E-03 ppm1 7.215 ppm2 2.199 CV 1 OR { 1676} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HB1 )) ASSI { 1678} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HG1%) 3.700 1.700 1.700 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.33187E-02 ppm1 8.176 ppm2 0.970 CV 1 ASSI { 1679} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HB% ) 2.400 0.700 0.700 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.71652E-02 ppm1 8.177 ppm2 1.337 CV 1 ASSI { 1682} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.200 1.300 1.300 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.20489E-02 ppm1 7.964 ppm2 1.999 CV 1 ASSI { 1684} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HA )) 3.500 1.500 1.500 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.88212E-03 ppm1 8.305 ppm2 3.879 CV 1 ASSI { 1687} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HB2 )) 5.200 3.400 0.800 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.30232E-03 ppm1 7.968 ppm2 2.140 CV 1 ASSI { 1688} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB2 )) 4.100 2.100 1.900 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.45674E-03 ppm1 8.829 ppm2 2.699 CV 1 ASSI { 1689} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HD1 )) 4.800 2.900 1.200 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.40744E-03 ppm1 8.830 ppm2 3.210 CV 1 OR { 1689} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HD2 )) ASSI { 1691} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HA )) 4.100 2.100 1.900 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.45940E-03 ppm1 8.827 ppm2 3.864 CV 1 ASSI { 1694} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.100 3.100 2.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.37016E-03 ppm1 8.402 ppm2 1.844 CV 1 ASSI { 1695} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HB1 )) 5.000 3.200 1.000 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.39983E-03 ppm1 8.400 ppm2 2.284 CV 1 OR { 1695} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 1701} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD1%) 4.600 2.600 1.400 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.59182E-03 ppm1 8.827 ppm2 1.031 CV 1 ASSI { 1716} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HB1 )) 4.500 2.600 1.500 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.37868E-03 ppm1 7.411 ppm2 2.048 CV 1 ASSI { 1720} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HG2 )) 3.800 1.800 1.800 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.51445E-03 ppm1 7.537 ppm2 1.726 CV 1 ASSI { 1723} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB2 )) 4.300 2.400 1.700 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.45877E-03 ppm1 7.543 ppm2 1.966 CV 1 ASSI { 1724} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HB1 )) 4.400 2.400 1.600 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.41927E-03 ppm1 7.531 ppm2 2.185 CV 1 ASSI { 1736} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.500 1.500 1.500 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.52056E-03 ppm1 7.444 ppm2 2.830 CV 1 ASSI { 1737} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 4.400 2.400 1.600 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.59831E-03 ppm1 7.442 ppm2 2.741 CV 1 ASSI { 1741} (( segid " " and resid 14 and name HN )) (( segid " " and resid 11 and name HA )) 3.400 1.400 1.400 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.79015E-03 ppm1 8.382 ppm2 3.557 CV 1 ASSI { 1742} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) 4.300 2.300 1.700 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.75336E-03 ppm1 8.047 ppm2 2.670 CV 1 ASSI { 1744} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB1 )) 5.000 3.200 1.000 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.45762E-03 ppm1 8.052 ppm2 1.632 CV 1 ASSI { 1745} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HA2 )) 5.100 3.200 0.900 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.35011E-03 ppm1 7.708 ppm2 3.857 CV 1 ASSI { 1746} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HA1 )) 5.300 3.500 0.700 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.35622E-03 ppm1 7.706 ppm2 4.258 CV 1 ASSI { 1747} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB1 )) 4.700 2.800 1.300 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.27857E-03 ppm1 7.501 ppm2 3.462 CV 1 ASSI { 1749} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HB1 )) 5.200 3.400 0.800 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.25617E-03 ppm1 7.494 ppm2 2.468 CV 1 ASSI { 1750} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.900 1.900 1.900 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.39435E-03 ppm1 7.493 ppm2 2.799 CV 1 ASSI { 1752} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HB% ) 4.500 2.600 1.500 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.81115E-03 ppm1 7.800 ppm2 1.528 CV 1 ASSI { 1754} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG2 )) 4.900 3.000 1.100 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.40065E-03 ppm1 7.798 ppm2 2.622 CV 1 ASSI { 1755} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG1 )) 4.800 2.900 1.200 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.41242E-03 ppm1 7.802 ppm2 2.381 CV 1 ASSI { 1759} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 4.000 2.000 2.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.72693E-03 ppm1 8.050 ppm2 2.886 CV 1 ASSI { 1765} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.29925E-02 ppm1 9.627 ppm2 2.149 CV 1 ASSI { 1771} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB2 )) 3.500 1.500 1.500 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.77944E-03 ppm1 7.324 ppm2 2.041 CV 1 OR { 1771} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB1 )) ASSI { 1772} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD2 )) 2.900 1.100 1.100 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.20804E-02 ppm1 7.323 ppm2 3.201 CV 1 OR { 1772} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD1 )) ASSI { 1773} (( segid " " and resid 11 and name HE )) (( segid " " and resid 27 and name HA )) 4.200 2.200 1.800 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.58330E-03 ppm1 7.325 ppm2 4.325 CV 1 ASSI { 1777} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.800 1.800 1.800 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.15048E-02 ppm1 8.828 ppm2 1.573 CV 1 ASSI { 1787} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HA )) 4.400 2.400 1.600 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.22991E-03 ppm1 7.723 ppm2 3.552 CV 1 ASSI { 1800} (( segid " " and resid 11 and name HE )) (( segid " " and resid 8 and name HA )) 4.500 2.500 1.500 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.33483E-03 ppm1 7.326 ppm2 4.616 CV 1 ASSI { 1806} (( segid " " and resid 72 and name HE )) (( segid " " and resid 70 and name HG2% )) 4.800 2.900 1.200 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.54280E-03 ppm1 9.061 ppm2 1.038 CV 1 ASSI { 1808} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB2 )) 4.900 3.000 1.100 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.42417E-03 ppm1 9.069 ppm2 1.520 CV 1 ASSI { 1809} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HN )) 3.200 1.300 1.300 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.10594E-02 ppm1 7.664 ppm2 9.421 CV 1 ASSI { 1810} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HN )) 4.500 2.600 1.500 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.71239E-03 ppm1 7.663 ppm2 8.871 CV 1 ASSI { 1811} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HN )) 3.800 1.800 1.800 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.37364E-03 ppm1 7.387 ppm2 8.873 CV 1 ASSI { 1813} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.300 2.300 1.700 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.20536E-03 ppm1 8.227 ppm2 2.764 CV 1 ASSI { 1818} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HB1 )) 6.000 4.700 0.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.83810E-04 ppm1 7.949 ppm2 1.864 CV 1 ASSI { 1824} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 2.600 0.800 0.800 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.35370E-02 ppm1 7.721 ppm2 8.376 CV 1 ASSI { 1825} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 75 and name HG )) 3.000 1.100 1.100 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.16928E-02 ppm1 7.661 ppm2 1.689 CV 1 ASSI { 1826} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HG )) 2.900 1.100 1.100 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.11751E-02 ppm1 7.660 ppm2 1.585 CV 1 ASSI { 1828} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 75 and name HG )) 3.300 1.300 1.300 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.12130E-02 ppm1 7.385 ppm2 1.690 CV 1 ASSI { 1830} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HB2 )) 4.500 2.500 1.500 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.69563E-03 ppm1 7.385 ppm2 1.480 CV 1 ASSI { 1831} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HB2 )) 3.200 1.300 1.300 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.88135E-03 ppm1 7.383 ppm2 2.776 CV 1 ASSI { 1832} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HB1 )) 3.500 1.600 1.600 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.11526E-02 ppm1 7.383 ppm2 3.085 CV 1 ASSI { 1833} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 76 and name HA )) 2.700 2.700 3.300 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.70472E-03 ppm1 7.663 ppm2 4.481 CV 1 ASSI { 1834} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HA )) 4.500 2.600 1.500 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.40040E-03 ppm1 7.388 ppm2 4.363 CV 1 ASSI { 1835} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HA )) 4.800 2.900 1.200 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.37876E-03 ppm1 7.663 ppm2 4.904 CV 1 ASSI { 1845} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 4.100 2.100 1.900 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.71001E-03 ppm1 7.835 ppm2 2.136 CV 1 ASSI { 1850} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.700 0.900 0.900 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.45017E-02 ppm1 8.382 ppm2 1.979 CV 1 ASSI { 1852} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 2.600 0.800 0.800 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.28170E-02 ppm1 8.882 ppm2 8.461 CV 1 ASSI { 1853} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HN )) 2.800 1.000 1.000 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.23430E-02 ppm1 8.883 ppm2 8.072 CV 1 ASSI { 1860} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 75 and name HD1%) 3.300 1.400 1.400 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.19580E-02 ppm1 7.386 ppm2 0.791 CV 1 ASSI { 1861} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 4 and name HD2%) 2.700 2.700 3.300 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.64457E-03 ppm1 7.661 ppm2 0.962 CV 1 ASSI { 1866} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD2%) 4.200 2.200 1.800 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.54888E-03 ppm1 8.239 ppm2 0.340 CV 1 ASSI { 1879} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HA )) 4.100 2.100 1.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.46685E-03 ppm1 8.110 ppm2 4.724 CV 1 ASSI { 1880} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG2 )) 3.900 1.900 1.900 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.30624E-03 ppm1 8.017 ppm2 1.204 CV 1 ASSI { 1882} (( segid " " and resid 12 and name HN )) ( segid " " and resid 15 and name HG2%) 4.500 2.500 1.500 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.44335E-03 ppm1 8.014 ppm2 1.121 CV 1 ASSI { 1884} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HB2 )) 4.000 2.000 2.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.58174E-03 ppm1 7.663 ppm2 1.478 CV 1 ASSI { 1887} (( segid " " and resid 69 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.800 1.800 1.800 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.82748E-03 ppm1 9.061 ppm2 2.272 CV 1 ASSI { 1888} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB2 )) 4.700 2.800 1.300 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.52132E-03 ppm1 7.764 ppm2 1.580 CV 1 ASSI { 1891} (( segid " " and resid 59 and name HN )) ( segid " " and resid 81 and name HB% ) 3.800 1.800 1.800 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.66958E-03 ppm1 8.480 ppm2 1.627 CV 1 ASSI { 1894} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HA )) 4.100 2.100 1.900 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.40298E-03 ppm1 9.424 ppm2 4.904 CV 1 ASSI { 1896} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD2%) 4.700 2.800 1.300 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.47273E-03 ppm1 8.046 ppm2 0.873 CV 1 ASSI { 1897} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HD2 )) 5.000 3.100 1.000 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.23189E-03 ppm1 7.832 ppm2 3.020 CV 1 ASSI { 1904} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG2%) 3.500 1.500 1.500 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.24016E-02 ppm1 8.302 ppm2 0.872 CV 1 ASSI { 1905} (( segid " " and resid 11 and name HN )) ( segid " " and resid 14 and name HD2%) 4.400 2.500 1.600 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.52951E-03 ppm1 8.828 ppm2 0.880 CV 1 ASSI { 1909} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD1%) 3.700 1.700 1.700 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.10843E-02 ppm1 8.381 ppm2 0.726 CV 1 ASSI { 1911} (( segid " " and resid 69 and name HN )) ( segid " " and resid 70 and name HG2%) 4.400 2.400 1.600 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.45975E-03 ppm1 9.059 ppm2 1.037 CV 1 ASSI { 1914} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HB2 )) 4.400 2.400 1.600 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.46578E-03 ppm1 8.305 ppm2 2.769 CV 1 ASSI { 1918} (( segid " " and resid 49 and name HN )) ( segid " " and resid 45 and name HD2%) 3.200 1.300 1.300 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.23528E-03 ppm1 8.704 ppm2 0.348 CV 1 ASSI { 1923} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HB1 )) 5.300 3.500 0.700 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.46282E-03 ppm1 8.240 ppm2 3.044 CV 1 ASSI { 1930} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) 3.800 1.800 1.800 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.68221E-03 ppm1 8.245 ppm2 4.707 CV 1 ASSI { 1931} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.400 1.400 1.400 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.78177E-03 ppm1 8.249 ppm2 1.264 CV 1 ASSI { 1932} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HG )) 4.300 2.300 1.700 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.43102E-03 ppm1 8.251 ppm2 1.579 CV 1 ASSI { 1937} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 2.800 1.000 1.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.27105E-02 ppm1 8.249 ppm2 4.321 CV 1 ASSI { 1938} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.700 0.900 0.900 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.40100E-02 ppm1 8.246 ppm2 4.365 CV 1 ASSI { 1941} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB )) 3.300 1.300 1.300 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.23983E-02 ppm1 8.486 ppm2 4.356 CV 1 ASSI { 1942} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.800 1.300 1.300 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.23983E-02 ppm1 8.486 ppm2 4.356 CV 1 ASSI { 1955} (( segid " " and resid 30 and name HN )) ( segid " " and resid 31 and name HD1%) 4.900 3.000 1.100 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.24006E-03 ppm1 8.053 ppm2 0.476 CV 1 ASSI { 1956} (( segid " " and resid 30 and name HN )) (( segid " " and resid 33 and name HB1 )) 5.000 3.200 1.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.24006E-03 ppm1 8.050 ppm2 1.770 CV 1 ASSI { 1957} (( segid " " and resid 30 and name HN )) ( segid " " and resid 7 and name HG2%) 4.300 2.300 1.700 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.31139E-03 ppm1 8.048 ppm2 1.390 CV 1 ASSI { 1960} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HD% ) 2.400 0.700 0.700 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.53022E-02 ppm1 8.049 ppm2 7.310 CV 1 ASSI { 1961} (( segid " " and resid 30 and name HN )) (( segid " " and resid 71 and name HB2 )) 5.700 4.100 0.300 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.18563E-03 ppm1 8.044 ppm2 2.029 CV 1 ASSI { 1963} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 4.200 2.200 1.800 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.79656E-03 ppm1 8.661 ppm2 8.049 CV 1 ASSI { 1966} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HD% ) 3.000 1.100 1.100 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.15722E-02 ppm1 7.525 ppm2 7.320 CV 1 ASSI { 1967} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 2.200 0.600 0.600 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.64208E-02 ppm1 7.525 ppm2 8.041 CV 1 ASSI { 1968} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG )) 3.300 1.300 1.300 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.45422E-02 ppm1 8.400 ppm2 1.386 CV 1 ASSI { 1970} (( segid " " and resid 18 and name HN )) ( segid " " and resid 40 and name HE% ) 4.500 2.500 1.500 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.23829E-03 ppm1 7.843 ppm2 6.746 CV 1 ASSI { 1978} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 2.900 1.100 1.100 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.23465E-02 ppm1 8.449 ppm2 8.254 CV 1 ASSI { 1981} (( segid " " and resid 31 and name HN )) ( segid " " and resid 71 and name HG2) 4.000 2.000 2.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.53187E-03 ppm1 7.523 ppm2 1.390 CV 1 ASSI { 1989} (( segid " " and resid 68 and name HN )) (( segid " " and resid 73 and name HB1 )) 5.300 3.600 0.700 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.19721E-03 ppm1 7.540 ppm2 2.486 CV 1 ASSI { 1994} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.25250E-02 ppm1 7.651 ppm2 1.855 CV 1 ASSI { 1995} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG1 )) 3.100 1.200 1.200 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.19420E-02 ppm1 7.650 ppm2 1.741 CV 1 ASSI { 1996} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.400 1.500 1.500 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.14628E-02 ppm1 7.652 ppm2 2.047 CV 1 ASSI { 1997} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD1 )) 4.400 2.400 1.600 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.29071E-03 ppm1 7.653 ppm2 3.255 CV 1 OR { 1997} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD2 )) ASSI { 2000} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA2 )) 2.900 1.100 1.100 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.19731E-02 ppm1 7.652 ppm2 3.895 CV 1 ASSI { 2001} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.900 1.100 1.100 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.19731E-02 ppm1 7.652 ppm2 3.895 CV 1 ASSI { 2005} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB )) 2.100 0.600 0.600 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.10203E-01 ppm1 8.464 ppm2 2.269 CV 1 ASSI { 2014} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 3.300 1.300 1.300 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.14613E-02 ppm1 8.568 ppm2 8.666 CV 1 ASSI { 2016} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HB )) 3.800 1.800 1.800 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.47819E-03 ppm1 7.985 ppm2 2.402 CV 1 ASSI { 2018} (( segid " " and resid 40 and name HN )) ( segid " " and resid 38 and name HG11 ) 3.900 1.900 1.900 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.11450E-02 ppm1 7.978 ppm2 1.514 CV 1 ASSI { 2019} (( segid " " and resid 40 and name HN )) ( segid " " and resid 38 and name HG2%) 4.500 2.600 1.500 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.38671E-03 ppm1 7.985 ppm2 1.042 CV 1 ASSI { 2020} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HA )) 5.200 3.400 0.800 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.26843E-03 ppm1 8.046 ppm2 3.554 CV 1 ASSI { 2021} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.900 1.100 1.100 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.17519E-02 ppm1 8.047 ppm2 2.689 CV 1 ASSI { 2022} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.200 1.300 1.300 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.30435E-02 ppm1 8.051 ppm2 3.030 CV 1 ASSI { 2023} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HA )) 3.300 1.400 1.400 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.10718E-02 ppm1 8.049 ppm2 3.876 CV 1 ASSI { 2025} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 2.800 1.000 1.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.39555E-02 ppm1 8.739 ppm2 2.754 CV 1 OR { 2025} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 2030} (( segid " " and resid 33 and name HN )) (( segid " " and resid 70 and name HB )) 4.100 2.100 1.900 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.45249E-03 ppm1 7.215 ppm2 4.588 CV 1 ASSI { 2031} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HA )) 3.100 2.100 1.900 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.45249E-03 ppm1 7.840 ppm2 4.219 CV 1 ASSI { 2034} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD1%) 4.700 2.800 1.300 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.47273E-03 ppm1 8.046 ppm2 0.873 CV 1 ASSI { 2036} (( segid " " and resid 72 and name HN )) ( segid " " and resid 10 and name HD2%) 4.700 2.800 1.300 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.47273E-03 ppm1 8.046 ppm2 0.873 CV 1 ASSI { 2048} (( segid " " and resid 86 and name HN )) ( segid " " and resid 83 and name HA) 4.200 2.800 1.300 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.47273E-03 ppm1 8.046 ppm2 0.873 CV 1 ASSI { 2050} (( segid " " and resid 3 and name HN)) ( segid " " and resid 82 and name HB1) 4.000 2.800 2.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.47273E-03 ppm1 8.046 ppm2 0.873 CV 1 ASSI { 2054} (( segid " " and resid 85 and name HN)) ( segid " " and resid 84 and name HG1) 4.200 1.000 1.000 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.47273E-03 ppm1 8.046 ppm2 0.873 CV 1 ASSI { 2056} (( segid " " and resid 85 and name HN)) ( segid " " and resid 81 and name HA) 4.500 1.000 1.000 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.47273E-03 ppm1 8.046 ppm2 0.873 CV 1 ASSI { 2055} (( segid " " and resid 67 and name HN)) ( segid " " and resid 66 and name HN) 2.400 0.800 0.800 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.47273E-03 ppm1 8.046 ppm2 0.873 CV 1 ASSI { 3} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.66306E-02 ppm1 0.476 ppm2 3.323 CV 1 ASSI { 4} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB1 )) 3.900 1.900 1.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.22141E-02 ppm1 0.475 ppm2 2.254 CV 1 OR { 4} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HG1 )) ASSI { 6} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 46 and name HA )) 3.000 1.200 1.200 peak 6 spectrum 1 weight 0.10000E+01 volume 0.21066E-02 ppm1 0.341 ppm2 4.200 CV 1 ASSI { 7} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HA )) 2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.28917E-02 ppm1 0.341 ppm2 3.883 CV 1 ASSI { 8} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HA )) 3.400 1.500 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.40785E-02 ppm1 0.228 ppm2 3.879 CV 1 ASSI { 9} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HE% ) 3.400 1.500 1.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.18430E-02 ppm1 0.477 ppm2 7.218 CV 1 ASSI { 10} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 42 and name H9A ) 3.300 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.12792E-02 ppm1 0.340 ppm2 7.171 CV 1 ASSI { 11} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HE% ) 3.100 1.200 1.200 peak 11 spectrum 1 weight 0.10000E+01 volume 0.16028E-02 ppm1 0.341 ppm2 6.965 CV 1 ASSI { 12} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HE% ) 3.100 1.200 1.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.21370E-02 ppm1 0.228 ppm2 6.970 CV 1 ASSI { 15} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 68 and name HG2%) 3.000 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.32415E-02 ppm1 0.341 ppm2 1.138 CV 1 ASSI { 25} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HG )) 2.400 0.700 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.51900E-02 ppm1 0.476 ppm2 1.211 CV 1 ASSI { 27} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB2 )) 2.500 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.47419E-02 ppm1 0.475 ppm2 1.052 CV 1 ASSI { 29} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 31 and name HD2%) 2.200 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.11180E-01 ppm1 0.475 ppm2 0.794 CV 1 ASSI { 32} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HD2 )) 3.300 1.300 1.300 peak 32 spectrum 1 weight 0.10000E+01 volume 0.16629E-02 ppm1 2.201 ppm2 2.921 CV 1 ASSI { 36} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HG )) 2.200 0.600 0.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.77637E-02 ppm1 0.601 ppm2 1.568 CV 1 ASSI { 37} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB2 )) 2.700 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.25490E-02 ppm1 0.601 ppm2 1.366 CV 1 ASSI { 44} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HG )) 2.600 0.800 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.33500E-02 ppm1 0.642 ppm2 1.565 CV 1 ASSI { 61} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HG )) 2.400 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.57492E-02 ppm1 0.690 ppm2 1.581 CV 1 ASSI { 62} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB1 )) 3.000 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.34162E-02 ppm1 0.691 ppm2 1.448 CV 1 ASSI { 63} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB2 )) 2.300 0.700 0.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.62770E-02 ppm1 0.690 ppm2 1.258 CV 1 ASSI { 73} (( segid " " and resid 14 and name HD1% )) (( segid " " and resid 14 and name HB2 )) 3.200 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.97250E-03 ppm1 0.732 ppm2 1.422 CV 1 ASSI { 78} (( segid " " and resid 14 and name HD1% )) (( segid " " and resid 14 and name HA )) 3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.97250E-03 ppm1 0.732 ppm2 4.373 CV 1 ASSI { 79} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HA )) 3.000 1.200 1.200 peak 79 spectrum 1 weight 0.10000E+01 volume 0.86862E-02 ppm1 0.691 ppm2 4.359 CV 1 ASSI { 96} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HA )) 3.800 1.800 1.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.24575E-02 ppm1 1.119 ppm2 4.219 CV 1 ASSI { 97} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HA )) 3.200 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.21530E-02 ppm1 1.117 ppm2 3.876 CV 1 ASSI { 98} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HD1 )) 2.600 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.35962E-02 ppm1 1.409 ppm2 3.205 CV 1 OR { 98} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HD2 )) ASSI { 99} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD1 )) 2.700 0.900 0.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.27140E-02 ppm1 1.198 ppm2 3.195 CV 1 OR { 99} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD2 )) ASSI { 101} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HD1 )) 2.600 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.24313E-02 ppm1 0.977 ppm2 3.077 CV 1 ASSI { 103} (( segid " " and resid 75 and name HD2% )) (( segid " " and resid 75 and name HA )) 3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.97250E-03 ppm1 0.864 ppm2 3.896 CV 1 ASSI { 106} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HA )) 3.300 1.400 1.400 peak 106 spectrum 1 weight 0.10000E+01 volume 0.21360E-02 ppm1 0.601 ppm2 4.541 CV 1 ASSI { 117} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HA )) 2.900 1.000 1.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.95623E-02 ppm1 0.987 ppm2 4.227 CV 1 ASSI { 118} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HA )) 2.200 0.500 0.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.98206E-02 ppm1 1.034 ppm2 4.204 CV 1 ASSI { 119} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HA )) 3.700 1.700 1.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.15050E-02 ppm1 1.033 ppm2 3.890 CV 1 ASSI { 123} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HA )) 2.500 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.47958E-02 ppm1 1.382 ppm2 3.864 CV 1 ASSI { 127} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) 2.400 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.76807E-02 ppm1 1.114 ppm2 3.922 CV 1 ASSI { 129} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HA )) 2.800 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.43516E-02 ppm1 1.373 ppm2 4.386 CV 1 ASSI { 130} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HB )) 2.500 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.58769E-02 ppm1 1.373 ppm2 4.181 CV 1 ASSI { 131} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 5 and name HA )) 3.500 1.600 1.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.17787E-02 ppm1 1.406 ppm2 4.541 CV 1 ASSI { 136} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HA )) 2.600 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.54504E-02 ppm1 0.990 ppm2 3.888 CV 1 ASSI { 137} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB1 )) 3.400 1.400 1.400 peak 137 spectrum 1 weight 0.10000E+01 volume 0.21574E-02 ppm1 0.691 ppm2 3.304 CV 1 ASSI { 155} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HB1 )) 3.400 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.14217E-02 ppm1 0.792 ppm2 2.313 CV 1 ASSI { 160} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.000 1.100 1.100 peak 161 spectrum 1 weight 0.10000E+01 volume 0.21993E-02 ppm1 0.732 ppm2 6.967 CV 1 ASSI { 161} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.000 1.100 1.100 peak 161 spectrum 1 weight 0.10000E+01 volume 0.21993E-02 ppm1 0.690 ppm2 7.310 CV 1 ASSI { 164} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 30 and name HA ) 3.000 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.21993E-02 ppm1 1.051 ppm2 4.725 CV 1 ASSI { 166} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HA )) 3.000 1.100 1.100 peak 166 spectrum 1 weight 0.10000E+01 volume 0.46474E-02 ppm1 0.973 ppm2 4.649 CV 1 ASSI { 168} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HB )) 2.200 0.600 0.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.91156E-02 ppm1 1.406 ppm2 4.846 CV 1 ASSI { 178} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HG1 )) 1.700 0.400 0.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.12365E-01 ppm1 0.978 ppm2 1.353 CV 1 ASSI { 181} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HB )) 2.000 0.500 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.10611E-01 ppm1 0.976 ppm2 2.120 CV 1 ASSI { 183} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HB2 )) 2.400 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.55718E-02 ppm1 0.947 ppm2 1.604 CV 1 ASSI { 184} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HB1 )) 3.300 1.400 1.400 peak 184 spectrum 1 weight 0.10000E+01 volume 0.38268E-02 ppm1 0.947 ppm2 1.480 CV 1 ASSI { 190} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HG )) 2.800 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.38268E-02 ppm1 0.863 ppm2 1.682 CV 1 ASSI { 191} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB2)) 2.800 0.900 0.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.38268E-02 ppm1 0.863 ppm2 1.583 CV 1 ASSI { 202} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB2 )) 3.600 1.600 1.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.19612E-02 ppm1 0.885 ppm2 2.771 CV 1 ASSI { 205} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB1 )) 2.700 0.900 0.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.60522E-02 ppm1 0.883 ppm2 1.605 CV 1 ASSI { 251} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HN )) 3.800 1.800 1.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.21546E-02 ppm1 1.114 ppm2 8.249 CV 1 ASSI { 252} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 30 and name HD% ) 3.500 1.600 1.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.17654E-02 ppm1 1.118 ppm2 7.324 CV 1 ASSI { 253} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 30 and name HE% ) 2.800 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.22964E-02 ppm1 1.119 ppm2 7.219 CV 1 ASSI { 257} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HG )) 2.100 0.500 0.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.11041E-01 ppm1 1.116 ppm2 1.885 CV 1 ASSI { 274} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB2 )) 2.200 0.600 0.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.75690E-02 ppm1 1.118 ppm2 1.569 CV 1 ASSI { 300} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HB1 )) 2.900 1.000 1.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.32782E-02 ppm1 1.350 ppm2 1.875 CV 1 ASSI { 305} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HG11)) 1.700 0.400 0.500 peak 305 spectrum 1 weight 0.10000E+01 volume 0.11257E-01 ppm1 1.267 ppm2 1.730 CV 1 ASSI { 307} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HB )) 2.800 1.000 1.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.25105E-02 ppm1 1.265 ppm2 1.926 CV 1 ASSI { 308} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 78 and name HD1%) 2.400 0.700 0.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.45003E-02 ppm1 1.266 ppm2 0.796 CV 1 ASSI { 309} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HB )) 2.300 0.700 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.94177E-02 ppm1 1.230 ppm2 4.358 CV 1 ASSI { 312} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 25 and name HN )) 3.500 1.500 1.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.17828E-02 ppm1 1.261 ppm2 8.591 CV 1 ASSI { 313} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HG1 )) 1.900 0.400 0.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.66199E-02 ppm1 1.390 ppm2 2.212 CV 1 OR { 313} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HB1 )) ASSI { 314} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HE% ) 2.800 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.40615E-02 ppm1 1.383 ppm2 7.220 CV 1 ASSI { 315} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HD% ) 3.000 1.100 1.100 peak 315 spectrum 1 weight 0.10000E+01 volume 0.33245E-02 ppm1 1.383 ppm2 7.326 CV 1 ASSI { 317} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HN )) 2.600 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.46148E-02 ppm1 1.405 ppm2 9.046 CV 1 ASSI { 318} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 7 and name HN )) 4.200 2.200 1.800 peak 318 spectrum 1 weight 0.10000E+01 volume 0.18499E-02 ppm1 1.405 ppm2 8.843 CV 1 ASSI { 319} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HB2 )) 2.700 0.900 0.900 peak 319 spectrum 1 weight 0.10000E+01 volume 0.27707E-02 ppm1 1.408 ppm2 2.045 CV 1 OR { 319} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HB1 )) ASSI { 321} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HG2 )) 1.800 0.400 0.400 peak 321 spectrum 1 weight 0.10000E+01 volume 0.97820E-02 ppm1 1.409 ppm2 1.198 CV 1 ASSI { 325} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 35 and name HA )) 3.600 1.600 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.24754E-02 ppm1 1.511 ppm2 4.366 CV 1 ASSI { 327} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HB1 )) 1.700 0.300 0.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.12778E-01 ppm1 1.583 ppm2 1.878 CV 1 ASSI { 329} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HG12 )) 2.000 0.500 0.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.13312E-01 ppm1 1.508 ppm2 1.833 CV 1 ASSI { 330} (( segid " " and resid 26 and name HG )) ( segid " " and resid 26 and name HD2%) 2.300 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.60628E-02 ppm1 1.581 ppm2 0.801 CV 1 ASSI { 345} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 78 and name HN )) 2.800 1.000 1.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.25908E-02 ppm1 1.726 ppm2 8.300 CV 1 ASSI { 349} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD1 )) 2.500 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.45523E-02 ppm1 1.729 ppm2 3.263 CV 1 OR { 349} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD2 )) OR { 349} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD2 )) OR { 349} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD1 )) ASSI { 352} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HB )) 2.700 0.900 0.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.19983E-02 ppm1 1.831 ppm2 2.413 CV 1 ASSI { 353} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 35 and name HA )) 2.500 0.800 0.800 peak 353 spectrum 1 weight 0.10000E+01 volume 0.28531E-02 ppm1 1.834 ppm2 4.372 CV 1 ASSI { 355} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HN )) 2.900 1.100 1.100 peak 355 spectrum 1 weight 0.10000E+01 volume 0.22303E-02 ppm1 1.861 ppm2 9.031 CV 1 ASSI { 357} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HA )) 2.900 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.22303E-02 ppm1 1.861 ppm2 9.031 CV 1 ASSI { 366} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HN )) 2.800 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.63627E-02 ppm1 2.021 ppm2 8.015 CV 1 ASSI { 367} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 13 and name HN )) 2.600 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.26169E-02 ppm1 2.023 ppm2 7.720 CV 1 ASSI { 368} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 3.300 3.300 2.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.23226E-02 ppm1 2.023 ppm2 8.145 CV 1 ASSI { 372} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 372 spectrum 1 weight 0.10000E+01 volume 0.23635E-02 ppm1 2.022 ppm2 4.227 CV 1 ASSI { 379} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 40 and name HD% ) 3.200 1.300 1.300 peak 379 spectrum 1 weight 0.10000E+01 volume 0.17098E-02 ppm1 1.830 ppm2 6.974 CV 1 ASSI { 383} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 1.900 0.500 0.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.67525E-02 ppm1 1.837 ppm2 2.191 CV 1 ASSI { 385} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HN )) 2.900 0.500 0.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.67525E-02 ppm1 1.837 ppm2 2.191 CV 1 ASSI { 393} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HB1 )) 1.700 0.300 0.500 peak 393 spectrum 1 weight 0.10000E+01 volume 0.14277E-01 ppm1 2.076 ppm2 2.518 CV 1 ASSI { 395} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG1 )) 2.400 0.700 0.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.88327E-02 ppm1 2.069 ppm2 2.413 CV 1 OR { 395} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG2 )) ASSI { 397} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 30 and name HZ )) 3.000 1.100 1.100 peak 397 spectrum 1 weight 0.10000E+01 volume 0.21203E-02 ppm1 2.042 ppm2 7.325 CV 1 OR { 397} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 30 and name HZ )) ASSI { 407} (( segid " " and resid 52 and name HG )) ( segid " " and resid 52 and name HD1%) 2.100 0.600 0.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.87201E-02 ppm1 2.051 ppm2 0.864 CV 1 ASSI { 410} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HG2 )) 1.800 0.400 0.400 peak 410 spectrum 1 weight 0.10000E+01 volume 0.68314E-02 ppm1 2.205 ppm2 1.388 CV 1 ASSI { 411} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG1%) 2.200 0.600 0.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.11888E-01 ppm1 2.195 ppm2 0.976 CV 1 OR { 411} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG2%) ASSI { 416} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HA )) 3.100 1.200 1.200 peak 416 spectrum 1 weight 0.10000E+01 volume 0.12285E-02 ppm1 2.191 ppm2 4.730 CV 1 ASSI { 418} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HA )) 2.300 0.600 0.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.58306E-02 ppm1 2.518 ppm2 4.532 CV 1 ASSI { 419} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD1 )) 4.000 2.000 2.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.11707E-02 ppm1 2.517 ppm2 4.010 CV 1 ASSI { 420} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HA )) 3.300 1.300 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.21225E-02 ppm1 2.777 ppm2 4.197 CV 1 ASSI { 421} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HA )) 3.000 1.100 1.100 peak 421 spectrum 1 weight 0.10000E+01 volume 0.21816E-02 ppm1 2.676 ppm2 4.196 CV 1 ASSI { 430} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HN )) 2.400 0.700 0.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.21541E-02 ppm1 1.775 ppm2 7.214 CV 1 ASSI { 431} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HD2 )) 2.900 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.49604E-02 ppm1 2.123 ppm2 3.564 CV 1 ASSI { 432} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HD1 )) 2.300 0.600 0.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.52045E-02 ppm1 2.126 ppm2 4.011 CV 1 ASSI { 434} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HA )) 3.000 1.100 1.100 peak 434 spectrum 1 weight 0.10000E+01 volume 0.24794E-02 ppm1 2.129 ppm2 4.538 CV 1 ASSI { 435} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.40851E-02 ppm1 2.129 ppm2 4.387 CV 1 ASSI { 438} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 31 and name HA )) 3.700 1.700 1.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.24791E-02 ppm1 2.257 ppm2 3.321 CV 1 ASSI { 439} (( segid " " and resid 64 and name HB )) (( segid " " and resid 61 and name HD2 )) 3.000 1.100 1.100 peak 439 spectrum 1 weight 0.10000E+01 volume 0.11147E-02 ppm1 2.195 ppm2 3.568 CV 1 ASSI { 441} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HA )) 2.900 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 2.190 ppm2 4.194 CV 1 ASSI { 444} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HN )) 2.600 0.800 0.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.24689E-02 ppm1 2.190 ppm2 8.459 CV 1 ASSI { 450} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) 2.700 0.900 0.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.41492E-02 ppm1 2.266 ppm2 4.392 CV 1 ASSI { 461} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG1 )) 2.200 0.600 0.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.11272E-01 ppm1 2.278 ppm2 2.777 CV 1 OR { 461} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG1 )) ASSI { 462} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG2 )) 2.300 0.600 0.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.10922E-01 ppm1 2.278 ppm2 2.680 CV 1 OR { 462} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG2 )) ASSI { 463} (( segid " " and resid 15 and name HB )) (( segid " " and resid 12 and name HA )) 2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.31032E-02 ppm1 2.264 ppm2 4.031 CV 1 ASSI { 472} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HN )) 3.600 1.600 1.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.21192E-02 ppm1 2.358 ppm2 8.882 CV 1 ASSI { 473} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HG1 )) 2.600 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.50281E-02 ppm1 2.359 ppm2 2.761 CV 1 ASSI { 477} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 31 and name HD1%) 4.000 2.000 2.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.15707E-02 ppm1 2.258 ppm2 0.477 CV 1 ASSI { 478} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HG2 )) 2.800 1.000 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.23983E-02 ppm1 2.260 ppm2 1.391 CV 1 ASSI { 479} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HB2 )) 2.200 0.600 0.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.10308E-01 ppm1 2.777 ppm2 2.281 CV 1 ASSI { 480} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HB1 )) 2.400 0.700 0.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.99937E-02 ppm1 2.676 ppm2 2.280 CV 1 ASSI { 487} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG12)) 2.500 0.800 0.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.34675E-02 ppm1 3.740 ppm2 1.265 CV 1 ASSI { 488} (( segid " " and resid 78 and name HA )) ( segid " " and resid 81 and name HB% ) 2.700 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.32807E-02 ppm1 3.739 ppm2 1.629 CV 1 ASSI { 489} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG11)) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.27860E-02 ppm1 3.738 ppm2 1.733 CV 1 ASSI { 490} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB )) 2.800 1.000 1.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.31552E-02 ppm1 3.741 ppm2 1.928 CV 1 ASSI { 493} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HG2%) 2.400 0.700 0.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.71255E-02 ppm1 3.740 ppm2 0.869 CV 1 ASSI { 494} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 2.700 0.900 0.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.35231E-02 ppm1 3.749 ppm2 4.814 CV 1 ASSI { 496} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HN )) 2.900 1.100 1.100 peak 496 spectrum 1 weight 0.10000E+01 volume 0.27441E-02 ppm1 3.801 ppm2 8.480 CV 1 ASSI { 498} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) 4.000 2.000 2.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.97732E-03 ppm1 3.803 ppm2 8.234 CV 1 ASSI { 499} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HA )) 2.800 1.000 1.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.32582E-02 ppm1 3.800 ppm2 4.809 CV 1 ASSI { 503} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB2 )) 3.200 1.200 1.200 peak 503 spectrum 1 weight 0.10000E+01 volume 0.18138E-02 ppm1 3.863 ppm2 1.577 CV 1 ASSI { 507} (( segid " " and resid 7 and name HA )) ( segid " " and resid 31 and name HD1%) 3.500 1.500 1.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.11057E-02 ppm1 3.862 ppm2 0.476 CV 1 ASSI { 512} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.600 0.900 0.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.34636E-02 ppm1 3.885 ppm2 7.441 CV 1 ASSI { 513} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HN )) 3.100 1.200 1.200 peak 513 spectrum 1 weight 0.10000E+01 volume 0.18178E-02 ppm1 3.887 ppm2 8.174 CV 1 ASSI { 519} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB )) 2.700 0.900 0.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.45696E-02 ppm1 3.922 ppm2 2.265 CV 1 ASSI { 520} (( segid " " and resid 15 and name HA )) ( segid " " and resid 18 and name HB% ) 3.000 1.100 1.100 peak 520 spectrum 1 weight 0.10000E+01 volume 0.24557E-02 ppm1 3.922 ppm2 1.524 CV 1 ASSI { 522} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HG1%) 2.500 0.800 0.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.63121E-02 ppm1 3.921 ppm2 1.033 CV 1 ASSI { 524} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HN )) 3.700 1.700 1.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.13282E-02 ppm1 3.970 ppm2 8.566 CV 1 ASSI { 529} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 2.400 0.700 0.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.78012E-02 ppm1 3.970 ppm2 4.321 CV 1 ASSI { 533} (( segid " " and resid 48 and name HA )) ( segid " " and resid 13 and name HB% ) 3.400 1.400 1.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.87765E-03 ppm1 3.942 ppm2 1.652 CV 1 ASSI { 534} (( segid " " and resid 48 and name HA )) ( segid " " and resid 48 and name HG2%) 2.600 0.800 0.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.48114E-02 ppm1 3.941 ppm2 1.114 CV 1 ASSI { 535} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB2 )) 3.300 1.400 1.400 peak 535 spectrum 1 weight 0.10000E+01 volume 0.14430E-02 ppm1 3.884 ppm2 1.852 CV 1 ASSI { 536} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG1 )) 3.600 1.600 1.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.15494E-02 ppm1 3.889 ppm2 1.727 CV 1 ASSI { 537} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HG1%) 2.300 0.700 0.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.99436E-02 ppm1 3.885 ppm2 0.974 CV 1 ASSI { 539} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB )) 2.700 0.900 0.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.45025E-02 ppm1 3.885 ppm2 2.195 CV 1 ASSI { 540} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HD2 )) 3.500 1.500 1.500 peak 540 spectrum 1 weight 0.10000E+01 volume 0.12621E-02 ppm1 3.886 ppm2 3.261 CV 1 ASSI { 543} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.800 1.000 1.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.30213E-02 ppm1 4.043 ppm2 7.806 CV 1 ASSI { 547} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 44 and name HB% ) 3.900 1.900 1.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.11525E-02 ppm1 4.041 ppm2 1.525 CV 1 ASSI { 549} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HN )) 2.800 0.800 0.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.56430E-02 ppm1 4.104 ppm2 8.071 CV 1 ASSI { 556} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HN )) 3.200 1.300 1.300 peak 556 spectrum 1 weight 0.10000E+01 volume 0.22220E-02 ppm1 4.177 ppm2 8.926 CV 1 ASSI { 559} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) 3.100 1.200 1.200 peak 559 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 4.220 ppm2 7.779 CV 1 ASSI { 562} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HN )) 4.500 2.500 1.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.27838E-03 ppm1 4.226 ppm2 8.720 CV 1 ASSI { 567} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.600 0.800 0.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.30594E-02 ppm1 4.223 ppm2 2.400 CV 1 ASSI { 568} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.28172E-02 ppm1 4.226 ppm2 2.021 CV 1 ASSI { 572} (( segid " " and resid 24 and name HB )) ( segid " " and resid 24 and name HG2%) 2.300 0.700 0.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.85709E-02 ppm1 4.219 ppm2 1.261 CV 1 ASSI { 574} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG2 )) 3.600 1.600 1.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.17915E-02 ppm1 4.223 ppm2 1.397 CV 1 ASSI { 576} (( segid " " and resid 7 and name HB )) ( segid " " and resid 7 and name HG2%) 2.400 0.700 0.700 peak 576 spectrum 1 weight 0.10000E+01 volume 0.69639E-02 ppm1 4.313 ppm2 1.383 CV 1 ASSI { 582} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HN )) 3.000 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.24576E-02 ppm1 4.313 ppm2 8.241 CV 1 ASSI { 587} (( segid " " and resid 24 and name HA )) ( segid " " and resid 24 and name HG2%) 2.600 0.900 0.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.62201E-02 ppm1 4.331 ppm2 1.262 CV 1 ASSI { 590} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.500 0.800 0.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.28646E-02 ppm1 4.369 ppm2 3.538 CV 1 ASSI { 591} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HD% ) 2.400 0.700 0.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.46753E-02 ppm1 4.366 ppm2 7.172 CV 1 ASSI { 592} (( segid " " and resid 21 and name HB )) (( segid " " and resid 22 and name HN )) 3.200 1.300 1.300 peak 592 spectrum 1 weight 0.10000E+01 volume 0.33535E-02 ppm1 4.361 ppm2 8.486 CV 1 ASSI { 598} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB )) 2.400 0.700 0.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.50355E-02 ppm1 4.425 ppm2 2.391 CV 1 ASSI { 602} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HN )) 2.400 0.700 0.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.86517E-02 ppm1 4.508 ppm2 8.486 CV 1 ASSI { 603} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.900 1.000 1.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.27504E-02 ppm1 4.508 ppm2 8.250 CV 1 ASSI { 604} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HG2%) 2.600 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.69116E-02 ppm1 4.509 ppm2 1.232 CV 1 ASSI { 606} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 2.100 0.600 0.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.11498E-01 ppm1 4.531 ppm2 8.736 CV 1 ASSI { 610} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HG2 )) 3.200 1.300 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.54501E-02 ppm1 4.533 ppm2 2.099 CV 1 ASSI { 615} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 5 and name HN )) 4.100 2.100 1.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.14496E-02 ppm1 0.883 ppm2 9.423 CV 1 ASSI { 616} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HN )) 4.100 2.100 1.900 peak 616 spectrum 1 weight 0.10000E+01 volume 0.13222E-02 ppm1 0.883 ppm2 8.155 CV 1 ASSI { 623} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 31 and name HD1%) 2.600 0.800 0.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.40703E-02 ppm1 1.382 ppm2 0.475 CV 1 ASSI { 626} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 31 and name HD2%) 2.600 0.900 0.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.42538E-02 ppm1 1.384 ppm2 0.795 CV 1 ASSI { 634} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HD2 )) 2.500 0.800 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.18772E-02 ppm1 1.385 ppm2 2.921 CV 1 ASSI { 639} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HA )) 3.200 1.300 1.300 peak 639 spectrum 1 weight 0.10000E+01 volume 0.11906E-02 ppm1 1.685 ppm2 3.877 CV 1 ASSI { 643} (( segid " " and resid 75 and name HG )) ( segid " " and resid 75 and name HD2%) 2.100 0.500 0.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14556E-01 ppm1 1.687 ppm2 0.865 CV 1 ASSI { 654} (( segid " " and resid 72 and name HG2 )) ( segid " " and resid 72 and name HD2) 3.100 1.500 1.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14556E-01 ppm1 1.687 ppm2 0.865 CV 1 ASSI { 655} (( segid " " and resid 72 and name HG2 )) ( segid " " and resid 72 and name HA) 3.100 1.500 1.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14556E-01 ppm1 1.687 ppm2 0.865 CV 1 ASSI { 660} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HN )) 3.800 1.800 1.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.15218E-02 ppm1 1.553 ppm2 9.423 CV 1 ASSI { 662} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HA )) 2.900 1.100 1.100 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 1.552 ppm2 4.544 CV 1 ASSI { 678} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HN )) 3.300 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.13644E-02 ppm1 0.871 ppm2 8.870 CV 1 ASSI { 681} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 56 and name HD% ) 3.600 1.600 1.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.69990E-03 ppm1 0.872 ppm2 7.426 CV 1 ASSI { 682} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HA )) 3.300 1.400 1.400 peak 682 spectrum 1 weight 0.10000E+01 volume 0.10623E-02 ppm1 0.871 ppm2 4.898 CV 1 ASSI { 686} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HG12)) 2.900 1.000 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.33636E-02 ppm1 0.870 ppm2 1.280 CV 1 ASSI { 687} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HA )) 3.300 1.400 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.16468E-02 ppm1 0.802 ppm2 4.362 CV 1 ASSI { 688} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HN )) 3.900 1.900 1.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 0.800 ppm2 8.454 CV 1 ASSI { 689} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 56 and name HE% ) 3.500 1.600 1.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.13629E-02 ppm1 0.642 ppm2 6.806 CV 1 ASSI { 690} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 56 and name HE% ) 3.300 1.400 1.400 peak 690 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 0.603 ppm2 6.809 CV 1 ASSI { 691} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 79 and name HD21)) 4.000 2.000 2.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.94799E-03 ppm1 0.644 ppm2 7.423 CV 1 ASSI { 692} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.500 1.500 1.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.82611E-03 ppm1 0.600 ppm2 7.428 CV 1 ASSI { 694} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HN )) 4.400 2.400 1.600 peak 694 spectrum 1 weight 0.10000E+01 volume 0.95689E-03 ppm1 0.641 ppm2 9.417 CV 1 ASSI { 696} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 9 and name HB2 )) 3.500 1.500 1.500 peak 696 spectrum 1 weight 0.10000E+01 volume 0.10949E-02 ppm1 0.602 ppm2 2.681 CV 1 ASSI { 697} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 9 and name HB1 )) 4.500 1.500 1.500 peak 697 spectrum 1 weight 0.10000E+01 volume 0.15349E-02 ppm1 0.643 ppm2 3.026 CV 1 ASSI { 698} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB1 )) 3.500 1.500 1.500 peak 698 spectrum 1 weight 0.10000E+01 volume 0.15349E-02 ppm1 0.643 ppm2 3.026 CV 1 ASSI { 699} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 75 and name HA )) 3.200 1.300 1.300 peak 699 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 0.602 ppm2 3.877 CV 1 ASSI { 709} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD2 )) 4.100 2.100 1.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.10877E-02 ppm1 2.520 ppm2 3.568 CV 1 ASSI { 713} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HA )) 2.500 0.800 0.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.45660E-02 ppm1 2.121 ppm2 4.650 CV 1 ASSI { 716} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG1%) 2.100 0.500 0.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.10262E-01 ppm1 2.121 ppm2 0.954 CV 1 OR { 716} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG2%) ASSI { 717} (( segid " " and resid 58 and name HB )) ( segid " " and resid 81 and name HB% ) 4.800 1.000 1.200 peak 717 spectrum 1 weight 0.10000E+01 volume 0.22226E-02 ppm1 2.122 ppm2 1.626 CV 1 ASSI { 718} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HG2 )) 2.700 0.900 0.900 peak 718 spectrum 1 weight 0.10000E+01 volume 0.34149E-02 ppm1 2.194 ppm2 1.630 CV 1 ASSI { 721} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 65 and name HN )) 3.600 1.600 1.600 peak 721 spectrum 1 weight 0.10000E+01 volume 0.11718E-02 ppm1 0.990 ppm2 8.199 CV 1 ASSI { 722} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HA )) 2.600 0.800 0.800 peak 722 spectrum 1 weight 0.10000E+01 volume 0.38745E-02 ppm1 0.990 ppm2 4.594 CV 1 ASSI { 723} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 65 and name HA )) 3.200 1.300 1.300 peak 723 spectrum 1 weight 0.10000E+01 volume 0.26612E-02 ppm1 0.990 ppm2 4.011 CV 1 ASSI { 729} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HG11)) 3.100 1.200 1.200 peak 729 spectrum 1 weight 0.10000E+01 volume 0.31328E-02 ppm1 0.990 ppm2 1.492 CV 1 ASSI { 730} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 65 and name HB% ) 2.900 1.000 1.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.22526E-02 ppm1 0.988 ppm2 1.338 CV 1 ASSI { 732} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) 2.300 0.600 0.600 peak 732 spectrum 1 weight 0.10000E+01 volume 0.61215E-02 ppm1 0.871 ppm2 1.928 CV 1 ASSI { 733} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HG11)) 3.000 1.200 1.200 peak 733 spectrum 1 weight 0.10000E+01 volume 0.28567E-02 ppm1 0.871 ppm2 1.727 CV 1 ASSI { 740} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HN )) 2.800 1.000 1.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.39952E-02 ppm1 1.457 ppm2 8.191 CV 1 ASSI { 741} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HA )) 2.300 0.600 0.600 peak 741 spectrum 1 weight 0.10000E+01 volume 0.84944E-02 ppm1 1.457 ppm2 3.928 CV 1 ASSI { 742} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.39060E-02 ppm1 1.459 ppm2 4.193 CV 1 ASSI { 743} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HB )) 2.500 0.800 0.800 peak 743 spectrum 1 weight 0.10000E+01 volume 0.46578E-02 ppm1 1.045 ppm2 2.404 CV 1 ASSI { 754} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HG )) 2.900 1.000 1.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 1.113 ppm2 2.029 CV 1 ASSI { 757} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 45 and name HD2% )) 3.600 1.600 1.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 1.144 ppm2 0.341 CV 1 ASSI { 758} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 45 and name HD1% )) 3.600 1.600 1.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 1.144 ppm2 0.225 CV 1 ASSI { 759} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) 3.600 1.600 1.600 peak 759 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 1.144 ppm2 2.383 CV 1 ASSI { 760} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 65 and name HA )) 3.600 1.600 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 1.144 ppm2 2.383 CV 1 ASSI { 761} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HA )) 3.600 1.600 1.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 1.144 ppm2 2.383 CV 1 ASSI { 763} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 35 and name HE% )) 3.600 1.600 1.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 1.144 ppm2 2.383 CV 1 ASSI { 763} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HN )) 3.000 1.000 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 1.144 ppm2 2.383 CV 1 ASSI { 763} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HN )) 3.200 1.000 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 1.144 ppm2 2.383 CV 1 ASSI { 766} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 11 and name HN )) 4.300 2.400 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.73419E-03 ppm1 1.114 ppm2 8.830 CV 1 ASSI { 767} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 11 and name HN )) 4.300 2.300 1.700 peak 767 spectrum 1 weight 0.10000E+01 volume 0.73726E-03 ppm1 1.031 ppm2 8.839 CV 1 ASSI { 771} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 75 and name HA )) 4.000 2.000 2.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.93736E-03 ppm1 0.872 ppm2 3.879 CV 1 ASSI { 774} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H5A )) 3.300 3.300 2.700 peak 774 spectrum 1 weight 0.10000E+01 volume 0.11472E-02 ppm1 1.456 ppm2 2.902 CV 1 OR { 774} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H5B )) ASSI { 779} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.22864E-02 ppm1 0.929 ppm2 2.796 CV 1 ASSI { 780} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HA )) 3.000 1.200 1.200 peak 780 spectrum 1 weight 0.10000E+01 volume 0.41207E-02 ppm1 0.929 ppm2 4.110 CV 1 ASSI { 781} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 78 and name HA )) 3.700 1.700 1.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.14772E-02 ppm1 0.930 ppm2 3.745 CV 1 ASSI { 782} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HA )) 2.900 1.000 1.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.25453E-02 ppm1 0.929 ppm2 4.648 CV 1 ASSI { 783} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.39322E-02 ppm1 0.929 ppm2 7.498 CV 1 ASSI { 784} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HN )) 4.100 2.100 1.900 peak 784 spectrum 1 weight 0.10000E+01 volume 0.16355E-02 ppm1 0.929 ppm2 8.482 CV 1 ASSI { 789} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HG11)) 3.400 1.400 1.400 peak 789 spectrum 1 weight 0.10000E+01 volume 0.34770E-02 ppm1 1.047 ppm2 1.815 CV 1 ASSI { 792} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.24502E-02 ppm1 1.338 ppm2 4.443 CV 1 ASSI { 793} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HA )) 2.300 0.700 0.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.98833E-02 ppm1 1.338 ppm2 4.011 CV 1 ASSI { 794} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HA )) 2.800 2.500 3.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.11179E-02 ppm1 1.337 ppm2 4.191 CV 1 ASSI { 799} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 60 and name HB )) 3.900 1.900 1.900 peak 799 spectrum 1 weight 0.10000E+01 volume 0.82496E-03 ppm1 1.338 ppm2 1.791 CV 1 ASSI { 808} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HN )) 2.400 0.700 0.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.83422E-02 ppm1 1.523 ppm2 7.840 CV 1 ASSI { 813} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HA )) 3.100 3.100 2.900 peak 813 spectrum 1 weight 0.10000E+01 volume 0.28375E-02 ppm1 1.524 ppm2 4.586 CV 1 ASSI { 816} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 44 and name HA )) 2.200 0.600 0.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10599E-01 ppm1 1.522 ppm2 4.295 CV 1 ASSI { 818} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HA )) 3.600 1.700 1.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.90485E-03 ppm1 1.521 ppm2 4.047 CV 1 ASSI { 822} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HA )) 2.200 0.600 0.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.13289E-01 ppm1 1.628 ppm2 4.453 CV 1 ASSI { 828} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HN )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.81940E-02 ppm1 1.628 ppm2 7.618 CV 1 ASSI { 829} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.45658E-02 ppm1 1.629 ppm2 8.275 CV 1 ASSI { 830} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HN )) 2.200 0.600 0.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.83337E-02 ppm1 1.658 ppm2 7.719 CV 1 ASSI { 832} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HA )) 2.100 0.600 0.600 peak 832 spectrum 1 weight 0.10000E+01 volume 0.11368E-01 ppm1 1.659 ppm2 4.376 CV 1 ASSI { 833} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HN )) 2.300 0.600 0.600 peak 833 spectrum 1 weight 0.10000E+01 volume 0.10683E-01 ppm1 1.638 ppm2 8.181 CV 1 ASSI { 834} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HN )) 2.600 0.800 0.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.37860E-02 ppm1 1.658 ppm2 8.381 CV 1 ASSI { 835} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 80 and name HA2 )) 2.700 2.700 3.300 peak 835 spectrum 1 weight 0.10000E+01 volume 0.30213E-02 ppm1 1.600 ppm2 4.020 CV 1 ASSI { 836} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HA )) 2.200 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.13189E-01 ppm1 1.600 ppm2 4.285 CV 1 ASSI { 838} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HN )) 2.200 0.600 0.600 peak 838 spectrum 1 weight 0.10000E+01 volume 0.11716E-01 ppm1 1.600 ppm2 7.962 CV 1 ASSI { 842} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 2.500 0.800 0.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.22400E-02 ppm1 3.322 ppm2 7.527 CV 1 ASSI { 843} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HG1 )) 3.500 1.600 1.600 peak 843 spectrum 1 weight 0.10000E+01 volume 0.33393E-02 ppm1 3.323 ppm2 2.247 CV 1 OR { 843} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB1 )) ASSI { 844} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB2 )) 1.800 0.400 0.400 peak 844 spectrum 1 weight 0.10000E+01 volume 0.48980E-02 ppm1 3.323 ppm2 2.024 CV 1 ASSI { 845} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 2.300 0.700 0.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.22642E-02 ppm1 3.325 ppm2 1.633 CV 1 ASSI { 847} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HG2 )) 2.900 1.100 1.100 peak 847 spectrum 1 weight 0.10000E+01 volume 0.10809E-02 ppm1 3.322 ppm2 1.395 CV 1 ASSI { 848} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG )) 3.000 1.100 1.100 peak 848 spectrum 1 weight 0.10000E+01 volume 0.17937E-02 ppm1 3.325 ppm2 1.214 CV 1 ASSI { 852} (( segid " " and resid 31 and name HA )) ( segid " " and resid 31 and name HD2%) 3.200 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.12769E-02 ppm1 3.326 ppm2 0.792 CV 1 ASSI { 854} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HN )) 2.600 0.900 0.900 peak 854 spectrum 1 weight 0.10000E+01 volume 0.37427E-02 ppm1 3.882 ppm2 8.722 CV 1 ASSI { 857} (( segid " " and resid 45 and name HA )) ( segid " " and resid 40 and name HE% ) 3.200 1.200 1.200 peak 857 spectrum 1 weight 0.10000E+01 volume 0.14065E-02 ppm1 3.881 ppm2 6.743 CV 1 ASSI { 858} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 3.000 1.100 1.100 peak 858 spectrum 1 weight 0.10000E+01 volume 0.28972E-02 ppm1 3.881 ppm2 2.153 CV 1 ASSI { 859} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB )) 2.700 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.22578E-02 ppm1 3.884 ppm2 1.928 CV 1 ASSI { 862} (( segid " " and resid 75 and name HA )) ( segid " " and resid 5 and name HD1%) 3.100 1.200 1.200 peak 862 spectrum 1 weight 0.10000E+01 volume 0.18973E-02 ppm1 3.880 ppm2 0.607 CV 1 ASSI { 863} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD1%) 2.800 0.700 0.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.80151E-02 ppm1 3.882 ppm2 0.793 CV 1 ASSI { 864} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD1%) 3.200 1.300 1.300 peak 864 spectrum 1 weight 0.10000E+01 volume 0.18061E-02 ppm1 3.882 ppm2 1.028 CV 1 ASSI { 865} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD2%) 3.200 1.300 1.300 peak 865 spectrum 1 weight 0.10000E+01 volume 0.24605E-02 ppm1 3.880 ppm2 1.117 CV 1 ASSI { 867} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.300 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.54718E-02 ppm1 3.882 ppm2 1.573 CV 1 ASSI { 869} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.500 0.800 0.800 peak 869 spectrum 1 weight 0.10000E+01 volume 0.37868E-02 ppm1 4.091 ppm2 1.587 CV 1 ASSI { 870} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG1 )) 2.800 1.000 1.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.32144E-02 ppm1 4.091 ppm2 1.354 CV 1 ASSI { 871} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG2 )) 3.000 1.100 1.100 peak 871 spectrum 1 weight 0.10000E+01 volume 0.19833E-02 ppm1 4.094 ppm2 0.983 CV 1 ASSI { 875} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HN )) 2.800 1.000 1.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.24365E-02 ppm1 4.313 ppm2 8.455 CV 1 ASSI { 878} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.40667E-02 ppm1 4.311 ppm2 1.447 CV 1 ASSI { 879} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) 2.500 0.800 0.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.31374E-02 ppm1 4.310 ppm2 2.209 CV 1 ASSI { 886} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.700 0.900 0.900 peak 886 spectrum 1 weight 0.10000E+01 volume 0.31566E-02 ppm1 4.266 ppm2 7.777 CV 1 ASSI { 888} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD1% ) 2.100 0.500 0.500 peak 888 spectrum 1 weight 0.10000E+01 volume 0.16581E-01 ppm1 4.271 ppm2 0.983 CV 1 CV 1 OR { 843} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HD2% )) ASSI { 890} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.200 0.600 0.600 peak 890 spectrum 1 weight 0.10000E+01 volume 0.76856E-02 ppm1 4.268 ppm2 1.661 CV 1 ASSI { 891} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) 2.800 2.800 3.200 peak 891 spectrum 1 weight 0.10000E+01 volume 0.81836E-02 ppm1 4.268 ppm2 1.911 CV 1 ASSI { 896} (( segid " " and resid 46 and name HA )) ( segid " " and resid 49 and name HB% ) 2.700 0.900 0.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.45545E-02 ppm1 4.191 ppm2 1.456 CV 1 ASSI { 905} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HB1 )) 3.800 1.800 1.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.22379E-02 ppm1 4.484 ppm2 3.086 CV 1 ASSI { 906} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) 2.400 0.700 0.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.62904E-02 ppm1 4.483 ppm2 2.746 CV 1 ASSI { 908} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HN )) 3.500 1.500 1.500 peak 908 spectrum 1 weight 0.10000E+01 volume 0.11309E-02 ppm1 4.484 ppm2 8.873 CV 1 ASSI { 910} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD1%) 2.900 1.100 1.100 peak 910 spectrum 1 weight 0.10000E+01 volume 0.67892E-02 ppm1 4.370 ppm2 0.732 CV 1 ASSI { 911} (( segid " " and resid 14 and name HA )) ( segid " " and resid 48 and name HG2%) 2.900 1.000 1.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.23876E-02 ppm1 4.369 ppm2 1.115 CV 1 ASSI { 912} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.700 0.900 0.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.38454E-02 ppm1 4.370 ppm2 1.431 CV 1 ASSI { 914} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG )) 3.000 1.100 1.100 peak 914 spectrum 1 weight 0.10000E+01 volume 0.20584E-02 ppm1 4.369 ppm2 1.851 CV 1 ASSI { 915} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB1 )) 2.700 0.900 0.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.24894E-02 ppm1 4.370 ppm2 1.979 CV 1 ASSI { 916} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.900 1.100 1.100 peak 916 spectrum 1 weight 0.10000E+01 volume 0.17682E-02 ppm1 4.366 ppm2 8.376 CV 1 ASSI { 917} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HN )) 3.800 1.800 1.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.50867E-03 ppm1 4.369 ppm2 9.632 CV 1 ASSI { 919} (( segid " " and resid 53 and name HA )) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.22821E-02 ppm1 4.115 ppm2 7.498 CV 1 ASSI { 920} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) 2.900 1.000 1.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.34713E-02 ppm1 4.027 ppm2 1.684 CV 1 ASSI { 921} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HG2%) 3.000 1.100 1.100 peak 921 spectrum 1 weight 0.10000E+01 volume 0.35272E-02 ppm1 4.030 ppm2 1.116 CV 1 ASSI { 922} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB1 )) 2.600 0.800 0.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.88141E-02 ppm1 4.029 ppm2 2.024 CV 1 ASSI { 923} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB )) 2.600 0.800 0.800 peak 923 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 4.030 ppm2 2.262 CV 1 ASSI { 924} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 2.700 0.900 0.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.33119E-02 ppm1 4.029 ppm2 8.015 CV 1 ASSI { 926} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HN )) 2.900 1.100 1.100 peak 926 spectrum 1 weight 0.10000E+01 volume 0.16614E-02 ppm1 3.612 ppm2 8.720 CV 1 ASSI { 927} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HN )) 2.800 1.000 1.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.30161E-02 ppm1 3.749 ppm2 8.481 CV 1 ASSI { 928} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) 2.500 0.800 0.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.30539E-02 ppm1 3.613 ppm2 2.156 CV 1 ASSI { 929} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 2.800 1.000 1.000 peak 929 spectrum 1 weight 0.10000E+01 volume 0.32823E-02 ppm1 3.613 ppm2 1.863 CV 1 ASSI { 930} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 2.100 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.52666E-02 ppm1 3.612 ppm2 1.624 CV 1 ASSI { 931} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG1 )) 2.300 0.700 0.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.48794E-02 ppm1 3.612 ppm2 1.541 CV 1 ASSI { 932} (( segid " " and resid 72 and name HA )) ( segid " " and resid 75 and name HD2%) 3.500 1.500 1.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.16107E-02 ppm1 3.611 ppm2 0.841 CV 1 ASSI { 933} (( segid " " and resid 72 and name HA )) ( segid " " and resid 31 and name HD2%) 2.800 1.000 1.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.18084E-02 ppm1 3.613 ppm2 0.788 CV 1 ASSI { 934} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HB2 )) 4.200 2.200 1.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.14940E-02 ppm1 3.613 ppm2 1.043 CV 1 ASSI { 935} (( segid " " and resid 72 and name HA )) ( segid " " and resid 31 and name HD1%) 2.800 1.000 1.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.36351E-02 ppm1 3.613 ppm2 0.474 CV 1 ASSI { 939} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.400 0.700 0.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.52409E-02 ppm1 3.551 ppm2 2.028 CV 1 OR { 939} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 940} (( segid " " and resid 11 and name HA )) (( segid " " and resid 30 and name HZ )) 3.800 1.800 1.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.16250E-02 ppm1 3.554 ppm2 7.323 CV 1 ASSI { 942} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HN )) 2.500 0.800 0.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 2.050 ppm2 8.460 CV 1 ASSI { 947} (( segid " " and resid 52 and name HG )) ( segid " " and resid 13 and name HB% ) 3.000 1.100 1.100 peak 947 spectrum 1 weight 0.10000E+01 volume 0.12292E-02 ppm1 2.048 ppm2 1.656 CV 1 ASSI { 960} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HD1 )) 2.500 0.800 0.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.18961E-02 ppm1 2.202 ppm2 4.043 CV 1 ASSI { 963} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 38 and name HD1%) 2.700 2.700 3.300 peak 963 spectrum 1 weight 0.10000E+01 volume 0.15945E-02 ppm1 2.205 ppm2 0.889 CV 1 ASSI { 971} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HN )) 3.600 1.600 1.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.29323E-02 ppm1 2.326 ppm2 8.458 CV 1 ASSI { 972} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HN )) 3.200 1.300 1.300 peak 972 spectrum 1 weight 0.10000E+01 volume 0.22840E-02 ppm1 2.418 ppm2 8.466 CV 1 OR { 972} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HN )) ASSI { 999} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HB2 )) 1.700 0.400 0.500 peak 999 spectrum 1 weight 0.10000E+01 volume 0.15733E-01 ppm1 2.050 ppm2 1.855 CV 1 ASSI { 1001} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD2 )) 3.100 1.200 1.200 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.19586E-02 ppm1 2.056 ppm2 3.262 CV 1 ASSI { 1004} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HA )) 3.100 1.200 1.200 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.27146E-02 ppm1 2.077 ppm2 4.531 CV 1 ASSI { 1005} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD2 )) 3.100 1.200 1.200 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.16078E-02 ppm1 2.079 ppm2 3.565 CV 1 ASSI { 1006} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 64 and name HG2%) 3.000 1.100 1.100 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.23345E-02 ppm1 2.076 ppm2 0.984 CV 1 ASSI { 1007} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD1 )) 3.900 1.900 1.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.14238E-02 ppm1 2.075 ppm2 4.013 CV 1 ASSI { 1038} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HA )) 3.300 1.300 1.300 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.22423E-02 ppm1 2.763 ppm2 4.118 CV 1 ASSI { 1057} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HG2 )) 3.100 1.200 1.200 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.11123E-02 ppm1 4.014 ppm2 2.120 CV 1 OR { 1057} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HG1 )) ASSI { 1062} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HG1 )) 2.300 0.700 0.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.72195E-02 ppm1 3.565 ppm2 2.122 CV 1 OR { 1062} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HG2 )) ASSI { 1063} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HG2%) 2.300 0.700 0.700 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.64948E-02 ppm1 3.566 ppm2 0.986 CV 1 ASSI { 1064} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HD1 )) 1.600 0.300 0.600 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.19524E-01 ppm1 3.566 ppm2 4.013 CV 1 ASSI { 1066} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.63786E-02 ppm1 3.565 ppm2 4.595 CV 1 ASSI { 1067} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 39 and name HA1 )) 1.700 0.400 0.500 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.22850E-01 ppm1 3.859 ppm2 4.246 CV 1 ASSI { 1075} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 28 and name HA1 )) 1.700 0.400 0.500 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.22807E-01 ppm1 3.882 ppm2 4.251 CV 1 ASSI { 1078} (( segid " " and resid 65 and name HA )) (( segid " " and resid 60 and name HG2% )) 2.800 0.900 0.900 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.22807E-01 ppm1 4.009 ppm2 0.967 CV 1 ASSI { 1080} (( segid " " and resid 65 and name HA )) (( segid " " and resid 68 and name HG2% )) 2.800 0.900 0.900 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.22807E-01 ppm1 4.009 ppm2 1.139 CV 1 ASSI { 1081} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB% )) 2.800 0.900 0.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.22807E-01 ppm1 4.009 ppm2 1.339 CV 1 ASSI { 1082} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HN )) 2.800 0.900 0.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.22807E-01 ppm1 4.022 ppm2 7.620 CV 1 ASSI { 1084} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HN )) 2.800 0.900 0.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.22807E-01 ppm1 4.009 ppm2 8.047 CV 1 ASSI { 1086} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 3.000 0.900 0.900 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.22807E-01 ppm1 4.009 ppm2 8.177 CV 1 ASSI { 1087} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 83 and name HB% ) 3.200 1.300 1.300 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.29525E-02 ppm1 4.024 ppm2 1.606 CV 1 OR { 1087} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 83 and name HB% ) ASSI { 1090} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 19 and name HN )) 2.500 0.800 0.800 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.70551E-02 ppm1 4.056 ppm2 8.246 CV 1 ASSI { 1093} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 58 and name HN )) 2.800 1.000 1.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.27037E-02 ppm1 4.089 ppm2 7.496 CV 1 OR { 1093} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 58 and name HN )) ASSI { 1096} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 2.800 1.000 1.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.33204E-02 ppm1 4.536 ppm2 8.542 CV 1 ASSI { 1097} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB1 )) 2.700 0.900 0.900 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.77996E-02 ppm1 4.536 ppm2 2.829 CV 1 ASSI { 1098} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.400 0.700 0.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.73934E-02 ppm1 4.537 ppm2 2.737 CV 1 ASSI { 1099} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.300 0.700 0.700 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.90650E-02 ppm1 4.444 ppm2 2.774 CV 1 OR { 1099} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) ASSI { 1102} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB1 )) 2.700 0.900 0.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.44852E-02 ppm1 4.475 ppm2 2.233 CV 1 ASSI { 1103} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.800 1.000 1.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.32407E-02 ppm1 4.474 ppm2 2.070 CV 1 ASSI { 1104} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG2 )) 3.100 1.200 1.200 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.33308E-02 ppm1 4.475 ppm2 2.413 CV 1 OR { 1104} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG1 )) ASSI { 1105} (( segid " " and resid 85 and name HA )) ( segid " " and resid 85 and name HB% ) 2.400 0.700 0.700 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.76276E-02 ppm1 4.470 ppm2 1.567 CV 1 ASSI { 1106} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) 2.600 0.900 0.900 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.69757E-02 ppm1 4.474 ppm2 8.249 CV 1 ASSI { 1108} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.40933E-02 ppm1 4.475 ppm2 8.466 CV 1 ASSI { 1109} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HN )) 2.700 0.900 0.900 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.40933E-02 ppm1 4.284 ppm2 7.962 CV 1 ASSI { 1110} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 3.000 0.900 0.900 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.40933E-02 ppm1 4.284 ppm2 7.761 CV 1 ASSI { 1111} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB% )) 2.700 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.40933E-02 ppm1 4.283 ppm2 1.601 CV 1 ASSI { 1113} (( segid " " and resid 50 and name HA )) ( segid " " and resid 50 and name HB% ) 2.200 0.600 0.600 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.11628E-01 ppm1 4.263 ppm2 1.638 CV 1 ASSI { 1116} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB1 )) 2.600 0.800 0.800 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.41001E-02 ppm1 4.335 ppm2 1.786 CV 1 OR { 1116} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG )) ASSI { 1119} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 3.200 0.900 0.900 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.44611E-02 ppm1 4.357 ppm2 8.240 CV 1 ASSI { 1120} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 2.800 1.000 1.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.25843E-02 ppm1 4.359 ppm2 8.154 CV 1 ASSI { 1122} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.700 0.900 0.900 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.52280E-02 ppm1 4.361 ppm2 1.257 CV 1 ASSI { 1127} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HB% ) 2.300 0.600 0.600 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.11580E-01 ppm1 4.357 ppm2 1.525 CV 1 ASSI { 1128} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 2.500 0.800 0.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.49684E-02 ppm1 4.591 ppm2 2.049 CV 1 ASSI { 1129} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.36515E-02 ppm1 4.595 ppm2 1.849 CV 1 ASSI { 1130} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG1 )) 2.700 0.900 0.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.49566E-02 ppm1 4.591 ppm2 1.723 CV 1 OR { 1130} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) ASSI { 1134} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 2.600 0.800 0.800 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.36789E-02 ppm1 4.544 ppm2 1.382 CV 1 ASSI { 1135} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG )) 2.500 0.800 0.800 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.54110E-02 ppm1 4.542 ppm2 1.573 CV 1 OR { 1135} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB1 )) ASSI { 1143} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.600 0.800 0.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.42324E-02 ppm1 4.260 ppm2 2.361 CV 1 ASSI { 1147} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HB )) 2.600 0.800 0.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.67325E-02 ppm1 0.894 ppm2 2.407 CV 1 ASSI { 1149} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG12 )) 2.600 0.800 0.800 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.67325E-02 ppm1 0.893 ppm2 1.824 CV 1 ASSI { 1158} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HB1 )) 1.900 0.500 0.500 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.85859E-02 ppm1 2.772 ppm2 3.083 CV 1 ASSI { 1162} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) 2.800 1.000 1.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.29054E-02 ppm1 2.888 ppm2 4.848 CV 1 ASSI { 1164} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HB2 )) 1.700 0.400 0.500 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.13704E-01 ppm1 3.455 ppm2 2.808 CV 1 ASSI { 1166} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 56 and name HD% ) 2.400 0.700 0.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.51428E-02 ppm1 3.457 ppm2 7.428 CV 1 ASSI { 1167} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) 3.200 1.300 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 4.295 ppm2 8.444 CV 1 ASSI { 1169} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HE )) 2.700 0.900 0.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.29876E-02 ppm1 3.487 ppm2 9.064 CV 1 ASSI { 1171} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HD2 )) 1.600 0.300 0.600 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.12572E-01 ppm1 3.487 ppm2 3.024 CV 1 ASSI { 1173} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HB2 )) 2.200 0.600 0.600 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.41264E-02 ppm1 3.487 ppm2 1.642 CV 1 ASSI { 1174} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HG1 )) 2.700 0.900 0.900 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.26684E-02 ppm1 3.487 ppm2 1.520 CV 1 ASSI { 1175} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HB2 )) 1.700 0.400 0.500 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.97100E-02 ppm1 3.538 ppm2 3.085 CV 1 ASSI { 1177} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.27277E-02 ppm1 3.536 ppm2 7.169 CV 1 ASSI { 1178} (( segid " " and resid 41 and name HB1 )) ( segid " " and resid 42 and name HN ) 3.000 0.900 0.900 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.27277E-02 ppm1 3.279 ppm2 8.929 CV 1 ASSI { 1180} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HB2 )) 1.700 0.400 0.500 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.16089E-01 ppm1 3.280 ppm2 2.858 CV 1 ASSI { 1181} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HB2 )) 1.700 0.400 0.500 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.20950E-01 ppm1 3.036 ppm2 2.363 CV 1 ASSI { 1183} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB1 )) 1.700 0.400 0.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.12451E-01 ppm1 3.036 ppm2 3.304 CV 1 ASSI { 1184} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.38936E-02 ppm1 3.030 ppm2 4.542 CV 1 ASSI { 1186} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.29095E-02 ppm1 3.035 ppm2 4.722 CV 1 ASSI { 1187} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.38777E-02 ppm1 3.036 ppm2 5.050 CV 1 ASSI { 1188} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HD% ) 2.400 0.700 0.700 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.34406E-02 ppm1 3.035 ppm2 7.309 CV 1 ASSI { 1190} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 6 and name HN )) 3.100 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.16853E-02 ppm1 2.677 ppm2 8.043 CV 1 ASSI { 1191} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 3.100 1.200 1.200 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.16853E-02 ppm1 2.677 ppm2 8.043 CV 1 ASSI { 1193} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HA )) 2.600 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.30815E-02 ppm1 3.302 ppm2 4.722 CV 1 ASSI { 1194} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HD% ) 2.600 0.800 0.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.36948E-02 ppm1 3.304 ppm2 7.307 CV 1 ASSI { 1195} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 66 and name HN )) 2.500 0.800 0.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.40966E-02 ppm1 4.020 ppm2 8.047 CV 1 ASSI { 1197} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD1%) 2.700 0.900 0.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.11067E-01 ppm1 4.222 ppm2 0.984 CV 1 OR { 1197} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD2%) ASSI { 5340} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HB2 ) 3.000 0.900 0.900 peak 5340 spectrum 1 weight 0.10000E+01 volume 0.11067E-01 ppm1 4.225 ppm2 1.565 CV 1 ASSI { 1199} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG )) 3.100 1.200 1.200 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.20909E-02 ppm1 4.219 ppm2 1.847 CV 1 ASSI { 1200} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB1 )) 2.700 0.900 0.900 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.26325E-02 ppm1 4.221 ppm2 2.000 CV 1 ASSI { 1201} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.25638E-02 ppm1 4.223 ppm2 8.276 CV 1 ASSI { 1203} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.40371E-02 ppm1 4.261 ppm2 8.188 CV 1 ASSI { 1210} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.20651E-02 ppm1 4.538 ppm2 9.418 CV 1 ASSI { 1215} (( segid " " and resid 78 and name HB )) (( segid " " and resid 79 and name HN )) 2.700 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.23692E-02 ppm1 1.930 ppm2 8.872 CV 1 ASSI { 1219} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 70 and name HB )) 2.700 0.900 0.900 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 2.920 ppm2 4.594 CV 1 ASSI { 1220} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HD1 )) 1.800 0.400 0.400 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.64915E-02 ppm1 2.919 ppm2 4.043 CV 1 ASSI { 1221} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HB1 )) 3.500 1.500 1.500 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.21490E-02 ppm1 2.918 ppm2 2.213 CV 1 ASSI { 1223} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 70 and name HG2%) 4.100 2.100 1.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.11047E-02 ppm1 2.920 ppm2 1.042 CV 1 ASSI { 1228} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HG1 )) 2.500 0.800 0.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.26900E-02 ppm1 4.037 ppm2 2.213 CV 1 OR { 1228} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HB1 )) ASSI { 1229} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 70 and name HA )) 2.300 0.700 0.700 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.29010E-02 ppm1 4.042 ppm2 4.911 CV 1 ASSI { 1234} (( segid " " and resid 50 and name HA )) (( segid " " and resid 54 and name HN )) 4.000 2.000 2.000 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 4.260 ppm2 8.082 CV 1 ASSI { 1241} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HN )) 2.900 1.000 1.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.28074E-02 ppm1 4.469 ppm2 7.840 CV 1 ASSI { 1242} (( segid " " and resid 13 and name HA )) ( segid " " and resid 13 and name HB% ) 2.100 0.600 0.600 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.11518E-01 ppm1 4.376 ppm2 1.660 CV 1 ASSI { 1243} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG )) 3.200 1.300 1.300 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.19800E-02 ppm1 4.361 ppm2 1.586 CV 1 ASSI { 1246} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG1 )) 3.000 1.200 1.200 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.32051E-02 ppm1 4.116 ppm2 2.762 CV 1 ASSI { 1247} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.400 0.700 0.700 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.37433E-02 ppm1 4.116 ppm2 2.473 CV 1 ASSI { 1249} (( segid " " and resid 53 and name HA )) ( segid " " and resid 58 and name HG1%) 2.400 0.700 0.700 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.40749E-02 ppm1 4.116 ppm2 0.936 CV 1 ASSI { 1250} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HN )) 2.800 1.000 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.21706E-02 ppm1 4.108 ppm2 8.179 CV 1 ASSI { 1254} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 2.600 0.900 0.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.26316E-02 ppm1 4.116 ppm2 8.881 CV 1 ASSI { 1255} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.600 0.900 0.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.26316E-02 ppm1 4.202 ppm2 8.931 CV 1 ASSI { 1264} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 3.200 1.300 1.300 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.19024E-02 ppm1 4.367 ppm2 3.091 CV 1 ASSI { 1266} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HN )) 2.700 0.900 0.900 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.41177E-02 ppm1 4.374 ppm2 8.070 CV 1 ASSI { 1280} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.500 0.800 0.800 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.58955E-02 ppm1 4.553 ppm2 4.040 CV 1 ASSI { 1284} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG2 )) 2.800 1.000 1.000 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.46383E-02 ppm1 4.356 ppm2 2.508 CV 1 OR { 1284} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG1 )) ASSI { 1285} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 4.242 ppm2 7.981 CV 1 ASSI { 1309} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HA )) 2.700 0.900 0.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.35713E-02 ppm1 2.823 ppm2 4.584 CV 1 ASSI { 1316} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 56 and name HD% ) 2.500 0.800 0.800 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.44669E-02 ppm1 2.807 ppm2 7.431 CV 1 ASSI { 1318} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HN )) 2.500 0.800 0.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.62663E-02 ppm1 2.705 ppm2 8.241 CV 1 OR { 1318} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HN )) ASSI { 1325} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 2.900 1.000 1.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.32366E-02 ppm1 2.671 ppm2 4.850 CV 1 ASSI { 1332} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 35 and name HD% ) 4.200 2.200 1.800 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.12535E-02 ppm1 2.960 ppm2 7.168 CV 1 ASSI { 1333} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HA )) 2.900 1.000 1.000 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.17929E-02 ppm1 2.957 ppm2 4.586 CV 1 ASSI { 1349} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HG )) 2.600 0.800 0.800 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.32815E-02 ppm1 2.157 ppm2 1.683 CV 1 ASSI { 1352} (( segid " " and resid 38 and name HB )) ( segid " " and resid 38 and name HD1%) 2.600 0.900 0.900 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.40360E-02 ppm1 2.406 ppm2 0.894 CV 1 ASSI { 1353} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG )) 2.500 0.800 0.800 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.31010E-02 ppm1 2.401 ppm2 0.942 CV 1 ASSI { 1354} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 10 and name HD2%) 3.100 1.200 1.200 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.20922E-02 ppm1 2.405 ppm2 1.129 CV 1 ASSI { 1358} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HA )) 2.700 0.900 0.900 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.42338E-02 ppm1 2.406 ppm2 4.579 CV 1 ASSI { 1364} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HN )) 3.500 1.500 1.500 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.24077E-02 ppm1 2.623 ppm2 8.247 CV 1 ASSI { 1365} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HA )) 3.300 1.300 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.23024E-02 ppm1 2.621 ppm2 4.199 CV 1 ASSI { 1366} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HB2 )) 2.700 0.900 0.900 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.33719E-02 ppm1 2.622 ppm2 2.133 CV 1 ASSI { 1369} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG1%) 2.100 0.600 0.600 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.11718E-01 ppm1 2.382 ppm2 1.135 CV 1 ASSI { 1372} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HB2 )) 1.700 0.400 0.500 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.20664E-01 ppm1 2.518 ppm2 2.091 CV 1 OR { 1372} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HG2 )) OR { 1372} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HG1 )) ASSI { 1376} (( segid " " and resid 15 and name HB )) ( segid " " and resid 15 and name HG2%) 2.300 0.700 0.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.72959E-02 ppm1 2.264 ppm2 1.114 CV 1 ASSI { 1381} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG1 )) 2.400 0.700 0.700 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.79078E-02 ppm1 1.851 ppm2 1.729 CV 1 ASSI { 1382} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.25340E-02 ppm1 0.788 ppm2 3.739 CV 1 ASSI { 1385} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HD% )) 4.100 1.200 1.200 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.25340E-02 ppm1 0.896 ppm2 7.308 CV 1 ASSI { 1387} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HN )) 3.800 1.800 1.800 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 0.789 ppm2 8.299 CV 1 ASSI { 1388} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HB )) 2.800 1.000 1.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.39731E-02 ppm1 0.789 ppm2 1.930 CV 1 ASSI { 1389} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG11)) 2.300 0.700 0.700 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.62781E-02 ppm1 0.789 ppm2 1.718 CV 1 ASSI { 1396} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 40 and name HB1 )) 3.500 1.600 1.600 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.16658E-02 ppm1 3.538 ppm2 2.962 CV 1 ASSI { 1397} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 40 and name HB2 )) 2.600 0.800 0.800 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 3.537 ppm2 2.824 CV 1 ASSI { 1399} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG2 )) 3.400 1.500 1.500 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.18406E-02 ppm1 4.393 ppm2 2.475 CV 1 ASSI { 1400} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB1 )) 2.900 1.100 1.100 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.38408E-02 ppm1 4.389 ppm2 2.275 CV 1 ASSI { 1406} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB1 )) 2.700 0.900 0.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.27833E-02 ppm1 6.975 ppm2 2.962 CV 1 ASSI { 1407} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB2 )) 2.500 0.800 0.800 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.32437E-02 ppm1 6.975 ppm2 2.825 CV 1 ASSI { 1408} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.22400E-02 ppm1 6.975 ppm2 4.586 CV 1 ASSI { 1413} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 14 and name HD2%) 3.100 1.200 1.200 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.18458E-02 ppm1 7.306 ppm2 0.891 CV 1 ASSI { 1414} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HG1 )) 2.600 0.800 0.800 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.23738E-02 ppm1 7.307 ppm2 2.210 CV 1 ASSI { 1416} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HB1 )) 2.600 0.900 0.900 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.41472E-02 ppm1 7.308 ppm2 3.306 CV 1 ASSI { 1421} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.25025E-02 ppm1 7.428 ppm2 4.310 CV 1 ASSI { 1423} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HB2 )) 2.500 0.800 0.800 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.41579E-02 ppm1 7.428 ppm2 2.809 CV 1 ASSI { 1424} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 56 and name HE% ) 2.100 0.500 0.500 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.10959E-01 ppm1 7.428 ppm2 6.810 CV 1 ASSI { 1425} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HA )) 2.900 1.100 1.100 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.28813E-02 ppm1 7.427 ppm2 4.699 CV 1 ASSI { 1431} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 40 and name HE% ) 1.800 0.400 0.400 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.21166E-01 ppm1 6.976 ppm2 6.738 CV 1 ASSI { 1443} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.700 0.900 0.900 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.39555E-02 ppm1 5.289 ppm2 2.981 CV 1 ASSI { 1444} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.900 1.000 1.000 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.39996E-02 ppm1 5.287 ppm2 2.856 CV 1 ASSI { 1445} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD1%) 2.800 1.000 1.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.29339E-02 ppm1 6.809 ppm2 0.632 CV 1 ASSI { 1446} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD2%) 2.300 0.700 0.700 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.78683E-02 ppm1 6.810 ppm2 1.017 CV 1 ASSI { 1448} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HA )) 2.300 2.300 3.700 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.16665E-02 ppm1 6.740 ppm2 4.369 CV 1 ASSI { 1449} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 44 and name HB% ) 2.700 0.900 0.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.48177E-02 ppm1 6.740 ppm2 1.521 CV 1 ASSI { 1550} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 7 and name HG2%) 2.800 0.900 0.900 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.47186E-02 ppm1 0.792 ppm2 1.377 CV 1 ASSI { 1451} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD1%) 2.900 1.000 1.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.25152E-02 ppm1 6.740 ppm2 0.730 CV 1 ASSI { 1453} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD2 )) 3.300 1.400 1.400 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.17096E-02 ppm1 6.809 ppm2 3.006 CV 1 ASSI { 1534} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB1 )) 4.300 2.300 1.700 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.13753E-02 ppm1 0.476 ppm2 1.877 CV 1 ASSI { 1537} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 78 and name HB )) 3.400 1.400 1.400 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.14858E-02 ppm1 0.601 ppm2 1.927 CV 1 ASSI { 1538} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 78 and name HB )) 3.900 1.900 1.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.84687E-03 ppm1 0.641 ppm2 1.926 CV 1 ASSI { 1540} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.500 1.600 1.600 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.18976E-02 ppm1 0.475 ppm2 7.321 CV 1 ASSI { 1541} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HN )) 4.000 2.000 2.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.12976E-02 ppm1 0.475 ppm2 9.027 CV 1 ASSI { 1542} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HN )) 4.400 2.400 1.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.10587E-02 ppm1 0.341 ppm2 8.400 CV 1 ASSI { 1546} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB2 )) 3.800 1.800 1.800 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.16015E-02 ppm1 0.690 ppm2 3.032 CV 1 ASSI { 1548} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 40 and name HE% )) 3.800 1.800 1.800 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.16015E-02 ppm1 0.733 ppm2 6.744 CV 1 ASSI { 1551} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 7 and name HN )) 3.000 3.000 3.000 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.73696E-03 ppm1 0.792 ppm2 8.853 CV 1 ASSI { 1554} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB1 )) 3.800 1.800 1.800 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.91419E-03 ppm1 0.886 ppm2 3.080 CV 1 ASSI { 1556} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HB )) 2.300 0.700 0.700 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.79165E-02 ppm1 0.947 ppm2 2.188 CV 1 ASSI { 1560} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HN )) 3.300 1.800 1.800 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.16015E-02 ppm1 0.952 ppm2 8.441 CV 1 ASSI { 1561} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB1 )) 3.000 1.100 1.100 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.13148E-02 ppm1 0.930 ppm2 3.455 CV 1 ASSI { 1562} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HG2 )) 3.800 1.800 1.800 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.23147E-02 ppm1 0.928 ppm2 2.352 CV 1 ASSI { 1563} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HB )) 2.200 0.600 0.600 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.72734E-02 ppm1 0.928 ppm2 2.123 CV 1 ASSI { 1568} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HN )) 3.400 1.400 1.400 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.37337E-02 ppm1 1.032 ppm2 8.464 CV 1 ASSI { 1578} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HA )) 2.700 0.900 0.900 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.38397E-02 ppm1 1.038 ppm2 4.911 CV 1 ASSI { 1592} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HD1 )) 3.200 1.300 1.300 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.23250E-02 ppm1 1.352 ppm2 3.079 CV 1 ASSI { 1593} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HD2 )) 2.600 0.900 0.900 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.21317E-02 ppm1 1.353 ppm2 3.005 CV 1 ASSI { 1599} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 64 and name HN )) 2.800 1.000 1.000 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.10949E-02 ppm1 2.075 ppm2 7.437 CV 1 ASSI { 1604} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HN )) 2.900 1.100 1.100 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.22303E-02 ppm1 1.861 ppm2 9.031 CV 1 ASSI { 1609} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HG1 )) 1.800 0.400 0.400 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.84438E-02 ppm1 1.627 ppm2 1.933 CV 1 ASSI { 1613} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HN )) 2.400 0.700 0.700 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.27852E-02 ppm1 1.850 ppm2 8.274 CV 1 ASSI { 1617} (( segid " " and resid 14 and name HG )) ( segid " " and resid 14 and name HD1%) 2.700 0.900 0.900 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.29358E-02 ppm1 1.848 ppm2 0.737 CV 1 ASSI { 1618} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HA )) 3.400 1.400 1.400 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.17012E-02 ppm1 1.410 ppm2 3.550 CV 1 ASSI { 1620} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HB )) 3.400 1.400 1.400 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.14366E-02 ppm1 1.509 ppm2 2.397 CV 1 ASSI { 1623} (( segid " " and resid 72 and name HG1 )) ( segid " " and resid 72 and name HD2) 3.100 1.500 1.500 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.14556E-01 ppm1 1.687 ppm2 0.865 CV 1 ASSI { 1626} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HA )) 2.900 1.000 1.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.38999E-02 ppm1 2.507 ppm2 4.359 CV 1 OR { 1626} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HA )) ASSI { 1628} (( segid " " and resid 72 and name HG1)) (( segid " " and resid 72 and name HD2 )) 3.200 1.400 1.400 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.14366E-02 ppm1 1.509 ppm2 2.397 CV 1 ASSI { 1634} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.100 1.200 1.200 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 0.230 ppm2 7.166 CV 1 ASSI { 1635} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HG )) 2.300 0.700 0.700 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.68382E-02 ppm1 0.340 ppm2 1.392 CV 1 ASSI { 1638} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HG )) 2.300 0.700 0.700 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.64266E-02 ppm1 0.228 ppm2 1.388 CV 1 ASSI { 1640} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 70 and name HA )) 2.900 1.100 1.100 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.38630E-02 ppm1 2.918 ppm2 4.912 CV 1 ASSI { 1642} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HG2 )) 2.600 0.900 0.900 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.41338E-02 ppm1 3.022 ppm2 1.639 CV 1 ASSI { 1643} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.23151E-02 ppm1 3.021 ppm2 1.520 CV 1 ASSI { 1647} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HE )) 2.600 0.800 0.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.40185E-02 ppm1 3.023 ppm2 9.065 CV 1 ASSI { 1675} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.23097E-02 ppm1 6.965 ppm2 7.170 CV 1 ASSI { 1703} (( segid " " and resid 74 and name HG )) ( segid " " and resid 74 and name HB1) 2.800 0.700 0.700 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.69598E-02 ppm1 4.589 ppm2 1.039 CV 1 ASSI { 1705} (( segid " " and resid 70 and name HB )) ( segid " " and resid 70 and name HG2%) 2.300 0.700 0.700 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.69598E-02 ppm1 4.589 ppm2 1.039 CV 1 ASSI { 1708} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HN )) 3.700 1.700 1.700 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.13139E-02 ppm1 2.608 ppm2 7.828 CV 1 ASSI { 1715} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HN )) 3.200 1.300 1.300 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.19303E-02 ppm1 2.215 ppm2 9.630 CV 1 ASSI { 1724} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HA )) 2.900 1.100 1.100 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 1.129 ppm2 4.594 CV 1 ASSI { 1725} (( segid " " and resid 33 and name HD2%)) (( segid " " and resid 33 and name HA )) 2.900 1.100 1.100 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 1.054 ppm2 4.342 CV 1 ASSI { 1727} (( segid " " and resid 52 and name HD1%)) (( segid " " and resid 10 and name HA )) 3.900 1.100 1.100 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 0.867 ppm2 4.211 CV 1 ASSI { 1728} (( segid " " and resid 14 and name HD2%)) (( segid " " and resid 11 and name HA )) 4.200 1.100 1.100 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 0.884 ppm2 3.549 CV 1 ASSI { 1733} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 1.879 ppm2 4.308 CV 1 ASSI { 1741} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB1 )) 2.400 0.700 0.700 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.49851E-02 ppm1 1.117 ppm2 2.301 CV 1 ASSI { 1747} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HN )) 2.600 0.800 0.800 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.33196E-02 ppm1 1.575 ppm2 9.419 CV 1 ASSI { 1753} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.900 1.000 1.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.27562E-02 ppm1 5.288 ppm2 9.057 CV 1 ASSI { 1755} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) 2.900 1.100 1.100 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 4.745 ppm2 8.929 CV 1 ASSI { 1759} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 2.100 0.500 0.500 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.17087E-01 ppm1 4.387 ppm2 8.155 CV 1 ASSI { 1762} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) 2.900 1.100 1.100 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 4.541 ppm2 7.895 CV 1 ASSI { 1764} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HN )) 2.800 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.28561E-02 ppm1 4.591 ppm2 7.648 CV 1 ASSI { 1765} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HN )) 2.900 1.000 1.000 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.30007E-02 ppm1 4.590 ppm2 7.544 CV 1 ASSI { 1766} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HN )) 3.100 1.200 1.200 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.22795E-02 ppm1 4.537 ppm2 7.444 CV 1 ASSI { 1767} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 3.400 1.500 1.500 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.11438E-02 ppm1 4.356 ppm2 7.591 CV 1 ASSI { 1768} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HN )) 3.100 1.200 1.200 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.13435E-02 ppm1 4.204 ppm2 7.720 CV 1 ASSI { 1769} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 3.400 1.400 1.400 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.12000E-02 ppm1 4.030 ppm2 7.719 CV 1 ASSI { 1773} (( segid " " and resid 46 and name HA )) (( segid " " and resid 49 and name HN )) 3.200 1.300 1.300 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.12597E-02 ppm1 4.193 ppm2 8.701 CV 1 ASSI { 1774} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HN )) 3.100 1.200 1.200 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.18753E-02 ppm1 2.351 ppm2 8.880 CV 1 ASSI { 1776} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HN )) 3.200 1.300 1.300 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.16818E-02 ppm1 1.112 ppm2 8.703 CV 1 ASSI { 1779} (( segid " " and resid 77 and name HB2)) (( segid " " and resid 77 and name HN )) 2.900 1.100 1.100 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 1.915 ppm2 7.978 CV 1 ASSI { 1785} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 15 and name HN )) 2.900 1.000 1.000 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.16476E-02 ppm1 1.428 ppm2 8.468 CV 1 ASSI { 1786} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HA )) 2.800 0.900 0.900 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.041 ppm2 8.033 CV 1 ASSI { 1787} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 40 and name HD% )) 2.800 0.900 0.900 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.041 ppm2 8.033 CV 1 ASSI { 1788} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HN )) 3.400 1.400 1.400 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 1.125 ppm2 7.770 CV 1 ASSI { 1789} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HN )) 3.000 1.100 1.100 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.24690E-02 ppm1 1.787 ppm2 7.216 CV 1 ASSI { 1791} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HE% ) 2.700 0.900 0.900 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.15170E-02 ppm1 2.256 ppm2 7.218 CV 1 ASSI { 1792} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.500 1.500 1.500 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.21954E-02 ppm1 2.000 ppm2 4.903 CV 1 ASSI { 1793} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.500 1.600 1.600 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.14468E-02 ppm1 1.563 ppm2 4.899 CV 1 ASSI { 1794} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 2.900 1.100 1.100 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.26242E-02 ppm1 1.579 ppm2 4.542 CV 1 ASSI { 1800} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 57 and name HA1 )) 2.400 2.400 3.600 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.14349E-02 ppm1 0.973 ppm2 4.099 CV 1 ASSI { 1802} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HB )) 2.200 0.600 0.600 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.94572E-02 ppm1 1.125 ppm2 2.390 CV 1 ASSI { 1807} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 5 and name HD2%) 2.600 0.900 0.900 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.35381E-02 ppm1 1.574 ppm2 0.615 CV 1 OR { 1807} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 5 and name HD1%) ASSI { 1809} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 5 and name HD1%) 2.800 1.000 1.000 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.27037E-02 ppm1 1.370 ppm2 0.625 CV 1 OR { 1809} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 5 and name HD2%) ASSI { 1814} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HG2 )) 2.800 1.000 1.000 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.24063E-02 ppm1 1.879 ppm2 0.990 CV 1 ASSI { 1816} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD1%) 2.400 0.700 0.700 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.98338E-02 ppm1 2.007 ppm2 0.977 CV 1 ASSI { 1817} (( segid " " and resid 77 and name HB2)) (( segid " " and resid 77 and name HD1% )) 2.900 1.100 1.100 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 1.916 ppm2 0.964 CV 1 ASSI { 1824} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD1%) 2.600 0.900 0.900 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.44510E-02 ppm1 1.849 ppm2 1.032 CV 1 OR { 1824} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD2%) ASSI { 1825} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HG2%) 2.400 0.700 0.700 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.60070E-02 ppm1 1.824 ppm2 0.989 CV 1 ASSI { 1827} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HG2%) 2.500 0.800 0.800 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.39980E-02 ppm1 1.928 ppm2 0.873 CV 1 ASSI { 1834} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HD1%) 3.000 1.100 1.100 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.29536E-02 ppm1 1.930 ppm2 0.792 CV 1 ASSI { 1838} (( segid " " and resid 42 and name HA )) ( segid " " and resid 45 and name HD2%) 3.900 1.900 1.900 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 4.201 ppm2 0.340 CV 1 ASSI { 1839} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD2%) 2.900 1.100 1.100 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.39060E-02 ppm1 4.542 ppm2 0.626 CV 1 OR { 1839} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD1%) ASSI { 1840} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG2%) 2.400 0.700 0.700 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.64972E-02 ppm1 4.580 ppm2 1.049 CV 1 ASSI { 1843} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HD1%) 2.100 0.600 0.600 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.87867E-02 ppm1 4.202 ppm2 1.037 CV 1 ASSI { 1846} (( segid " " and resid 47 and name HA )) ( segid " " and resid 50 and name HB% ) 2.500 0.800 0.800 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.59270E-02 ppm1 4.197 ppm2 1.637 CV 1 ASSI { 1847} (( segid " " and resid 10 and name HA )) ( segid " " and resid 13 and name HB% ) 2.800 1.000 1.000 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.35025E-02 ppm1 4.203 ppm2 1.662 CV 1 ASSI { 1849} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 3.600 1.600 1.600 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.80858E-03 ppm1 4.219 ppm2 1.568 CV 1 ASSI { 1850} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG2 )) 3.100 1.200 1.200 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.35074E-02 ppm1 4.226 ppm2 1.716 CV 1 ASSI { 1852} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.58177E-02 ppm1 4.091 ppm2 1.877 CV 1 ASSI { 1853} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG1 )) 2.700 0.900 0.900 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.28786E-02 ppm1 4.030 ppm2 1.919 CV 1 ASSI { 1854} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG )) 3.000 1.100 1.100 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.22383E-02 ppm1 4.201 ppm2 1.884 CV 1 ASSI { 1855} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB1 )) 3.100 1.200 1.200 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 4.371 ppm2 2.017 CV 1 ASSI { 1857} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.56082E-02 ppm1 4.226 ppm2 2.007 CV 1 ASSI { 1878} (( segid " " and resid 69 and name HA )) ( segid " " and resid 35 and name HD% ) 2.800 1.000 1.000 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.24843E-02 ppm1 5.289 ppm2 7.168 CV 1 ASSI { 1885} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 3.300 1.300 1.300 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.14544E-02 ppm1 5.285 ppm2 7.454 CV 1 ASSI { 1887} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 2.600 0.800 0.800 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.38336E-02 ppm1 4.393 ppm2 7.760 CV 1 ASSI { 1888} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.31870E-02 ppm1 4.374 ppm2 7.718 CV 1 ASSI { 1890} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) 3.400 1.400 1.400 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.12470E-02 ppm1 4.358 ppm2 7.723 CV 1 ASSI { 1891} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HN )) 2.700 0.900 0.900 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.42606E-02 ppm1 4.323 ppm2 8.566 CV 1 ASSI { 1906} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 45 and name HD2%) 3.400 3.400 2.600 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.21524E-02 ppm1 1.431 ppm2 0.342 CV 1 ASSI { 1907} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 45 and name HD1%) 2.800 1.000 1.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.21524E-02 ppm1 1.431 ppm2 0.342 CV 1 ASSI { 1912} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HB2 )) 1.700 0.300 0.500 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.10343E-01 ppm1 2.313 ppm2 1.575 CV 1 ASSI { 1913} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HG )) 2.500 0.800 0.800 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.26510E-02 ppm1 2.311 ppm2 1.886 CV 1 ASSI { 1915} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HG2 )) 1.700 0.400 0.500 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.13861E-01 ppm1 2.761 ppm2 2.357 CV 1 OR { 1915} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HB2 )) ASSI { 1916} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HG1 )) 1.800 0.400 0.400 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.97765E-02 ppm1 2.353 ppm2 2.760 CV 1 ASSI { 1920} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HA )) 2.700 0.900 0.900 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.39920E-02 ppm1 2.770 ppm2 4.483 CV 1 OR { 1920} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HA )) ASSI { 1921} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 2.900 1.000 1.000 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.27319E-02 ppm1 3.004 ppm2 4.812 CV 1 ASSI { 1923} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HB )) 2.800 1.000 1.000 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.28318E-02 ppm1 3.877 ppm2 4.402 CV 1 ASSI { 1924} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HN )) 3.500 1.600 1.600 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.86180E-03 ppm1 4.198 ppm2 7.817 CV 1 ASSI { 1928} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HN )) 3.100 1.200 1.200 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.35507E-02 ppm1 2.244 ppm2 8.249 CV 1 ASSI { 1929} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HN )) 3.300 3.300 2.700 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.23226E-02 ppm1 2.023 ppm2 8.145 CV 1 ASSI { 1930} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) 3.000 1.100 1.100 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.18679E-02 ppm1 1.383 ppm2 8.849 CV 1 ASSI { 1942} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HA )) 3.000 1.100 1.100 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.17900E-02 ppm1 1.958 ppm2 4.228 CV 1 ASSI { 1946} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HE )) 3.000 1.200 1.200 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.16218E-02 ppm1 3.431 ppm2 7.870 CV 1 ASSI { 1947} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HE )) 3.100 1.200 1.200 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.14778E-02 ppm1 3.344 ppm2 7.870 CV 1 ASSI { 1949} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HE )) 2.900 1.100 1.100 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.20344E-02 ppm1 3.295 ppm2 7.527 CV 1 ASSI { 1950} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HE )) 2.800 1.000 1.000 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.24926E-02 ppm1 3.265 ppm2 7.397 CV 1 OR { 1950} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HE )) ASSI { 1951} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HE )) 2.700 0.900 0.900 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.32853E-02 ppm1 3.222 ppm2 7.321 CV 1 ASSI { 1952} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HE )) 2.600 0.900 0.900 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.35378E-02 ppm1 3.187 ppm2 7.320 CV 1 ASSI { 1954} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 56 and name HB1 )) 3.200 3.200 2.800 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.19553E-02 ppm1 0.986 ppm2 3.455 CV 1 ASSI { 1956} (( segid " " and resid 48 and name HB )) ( segid " " and resid 48 and name HG2%) 2.500 0.800 0.800 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.43538E-02 ppm1 4.400 ppm2 1.113 CV 1 ASSI { 1959} (( segid " " and resid 70 and name HB )) (( segid " " and resid 70 and name HA )) 2.400 0.700 0.700 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.41144E-02 ppm1 4.590 ppm2 4.908 CV 1 ASSI { 1962} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD2 )) 3.000 1.100 1.100 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.21171E-02 ppm1 2.032 ppm2 3.201 CV 1 OR { 1962} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD2 )) OR { 1962} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD1 )) OR { 1962} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD1 )) ASSI { 1967} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HD2 )) 3.500 1.500 1.500 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.17709E-02 ppm1 0.988 ppm2 3.565 CV 1 ASSI { 1968} (( segid " " and resid 74 and name HD2%)) (( segid " " and resid 74 and name HB1 )) 2.900 1.100 1.100 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 1.009 ppm2 2.403 CV 1 OR { 1968} (( segid " " and resid 74 and name HD1% )) ( segid " " and resid 74 and name HB1) ASSI { 1970} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HN )) 3.500 1.500 1.500 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.17934E-02 ppm1 0.972 ppm2 8.476 CV 1 ASSI { 1973} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HG1 )) 2.600 0.800 0.800 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.33815E-02 ppm1 2.190 ppm2 2.595 CV 1 ASSI { 1974} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HG1 )) 2.400 0.700 0.700 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.75027E-02 ppm1 2.214 ppm2 2.501 CV 1 OR { 1974} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HG2 )) ASSI { 1975} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG1 )) 2.800 0.900 0.900 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.38221E-02 ppm1 2.328 ppm2 2.595 CV 1 ASSI { 1977} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HA )) 2.900 1.100 1.100 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.28920E-02 ppm1 2.239 ppm2 4.471 CV 1 ASSI { 1981} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 2.600 0.900 0.900 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.31566E-02 ppm1 1.604 ppm2 4.358 CV 1 ASSI { 1985} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.600 0.800 0.800 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.35666E-02 ppm1 1.567 ppm2 3.881 CV 1 ASSI { 1987} (( segid " " and resid 72 and name HG1)) (( segid " " and resid 72 and name HD2 )) 3.000 3.000 3.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.17351E-02 ppm1 1.526 ppm2 3.028 CV 1 ASSI { 1988} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HB1 )) 1.700 0.400 0.500 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.13169E-01 ppm1 1.557 ppm2 2.001 CV 1 ASSI { 1989} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HB1 )) 1.800 0.400 0.400 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.86333E-02 ppm1 1.567 ppm2 2.155 CV 1 ASSI { 1991} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HB1 )) 1.800 0.400 0.400 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.76139E-02 ppm1 1.662 ppm2 2.403 CV 1 ASSI { 1995} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HB2 )) 1.800 0.400 0.400 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.10976E-01 ppm1 1.783 ppm2 1.415 CV 1 ASSI { 1997} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 14 and name HD1%) 2.600 0.800 0.800 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.33519E-02 ppm1 1.429 ppm2 0.728 CV 1 ASSI { 2000} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HA )) 3.400 1.500 1.500 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.36789E-02 ppm1 1.058 ppm2 4.246 CV 1 ASSI { 2001} (( segid " " and resid 82 and name HD2% )) ( segid " " and resid 82 and name HA ) 2.700 0.900 0.900 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.11067E-01 ppm1 0.983 ppm2 4.225 CV 1 ASSI { 2004} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HA )) 2.700 2.700 3.300 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.36770E-02 ppm1 1.007 ppm2 4.246 CV 1 ASSI { 2005} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HA )) 2.300 0.700 0.700 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.64192E-02 ppm1 1.011 ppm2 4.271 CV 1 OR { 2005} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 2007} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HD1 )) 2.600 0.900 0.900 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.24777E-02 ppm1 1.715 ppm2 3.419 CV 1 ASSI { 2008} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD1 )) 2.500 0.800 0.800 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.33601E-02 ppm1 1.683 ppm2 3.350 CV 1 ASSI { 2009} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HD1 )) 3.700 1.700 1.700 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.11592E-02 ppm1 1.589 ppm2 3.069 CV 1 ASSI { 2010} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2)) 2.900 1.100 1.100 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.18108E-02 ppm1 1.594 ppm2 3.020 CV 1 ASSI { 2016} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HB1 )) 2.500 0.800 0.800 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.35976E-02 ppm1 0.982 ppm2 2.000 CV 1 ASSI { 2023} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HG12)) 1.700 0.400 0.500 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.13659E-01 ppm1 1.493 ppm2 1.129 CV 1 ASSI { 2025} (( segid " " and resid 26 and name HG )) (( segid " " and resid 26 and name HB2 )) 2.700 0.900 0.900 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.27425E-02 ppm1 1.581 ppm2 1.257 CV 1 ASSI { 2033} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HB2 )) 3.800 2.100 1.900 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.45249E-03 ppm1 7.766 ppm2 0.791 CV 1 ASSI { 2034} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HB )) 3.800 2.100 1.900 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.45249E-03 ppm1 7.766 ppm2 0.791 CV 1 ASSI { 2036} (( segid " " and resid 23 and name HA2 )) ( segid " " and resid 24 and name HG2%) 3.800 1.800 1.800 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.96856E-03 ppm1 4.065 ppm2 1.248 CV 1 ASSI { 2037} (( segid " " and resid 57 and name HA1 )) ( segid " " and resid 58 and name HG1%) 4.100 2.100 1.900 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.10698E-02 ppm1 4.092 ppm2 0.957 CV 1 OR { 2037} (( segid " " and resid 57 and name HA2 )) ( segid " " and resid 58 and name HG1%) ASSI { 2041} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 68 and name HG1%) 3.100 1.200 1.200 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.17004E-02 ppm1 2.453 ppm2 1.129 CV 1 ASSI { 2044} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HB1 )) 2.700 0.900 0.900 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.43959E-02 ppm1 2.761 ppm2 2.477 CV 1 ASSI { 2045} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HG1 )) 1.700 0.300 0.500 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.19099E-01 ppm1 2.676 ppm2 2.776 CV 1 ASSI { 2047} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HD2 )) 2.400 0.700 0.700 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.41366E-02 ppm1 1.932 ppm2 3.337 CV 1 ASSI { 2051} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 44 and name HA )) 2.700 0.900 0.900 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.21585E-02 ppm1 2.193 ppm2 4.303 CV 1 ASSI { 2058} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HG2 )) 3.000 1.100 1.100 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.29821E-02 ppm1 1.581 ppm2 0.985 CV 1 ASSI { 2063} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.47101E-02 ppm1 1.841 ppm2 4.253 CV 1 ASSI { 2067} (( segid " " and resid 81 and name HB% )) (( segid " " and resid 58 and name HB )) 4.200 1.800 1.800 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.10539E-01 ppm1 4.454 ppm2 2.132 CV 1 ASSI { 2076} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HA )) 3.000 1.200 1.200 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.17374E-02 ppm1 1.822 ppm2 4.599 CV 1 ASSI { 2087} (( segid " " and resid 43 and name HG )) (( segid " " and resid 43 and name HA )) 3.200 1.300 1.300 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.15619E-02 ppm1 1.730 ppm2 4.254 CV 1 ASSI { 2090} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.300 1.400 1.400 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.26204E-02 ppm1 2.213 ppm2 8.458 CV 1 ASSI { 2092} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB1 )) 2.700 0.900 0.900 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.26419E-02 ppm1 1.194 ppm2 2.038 CV 1 OR { 2092} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 2098} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB2 )) 2.900 1.100 1.100 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.52031E-02 ppm1 0.801 ppm2 1.244 CV 1 ASSI { 2099} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HG )) 2.700 0.900 0.900 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.20858E-02 ppm1 0.791 ppm2 1.219 CV 1 ASSI { 2115} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB1 )) 2.500 0.800 0.800 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.55644E-02 ppm1 1.721 ppm2 2.049 CV 1 ASSI { 2117} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HG2 )) 1.700 0.400 0.500 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.19674E-01 ppm1 2.621 ppm2 2.393 CV 1 ASSI { 2118} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HB1 )) 2.500 0.800 0.800 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.47942E-02 ppm1 2.623 ppm2 2.253 CV 1 ASSI { 2124} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 13 and name HN )) 3.500 3.500 2.500 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.13455E-02 ppm1 3.000 ppm2 7.705 CV 1 ASSI { 2126} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.400 1.500 1.500 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.12470E-02 ppm1 3.305 ppm2 8.056 CV 1 ASSI { 2129} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.57909E-02 ppm1 2.836 ppm2 8.487 CV 1 OR { 2129} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) ASSI { 2134} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.600 1.600 1.600 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.13699E-02 ppm1 2.788 ppm2 8.542 CV 1 OR { 2134} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HN )) ASSI { 2137} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 85 and name HN )) 2.600 0.800 0.800 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.69187E-02 ppm1 1.566 ppm2 7.839 CV 1 ASSI { 2139} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.800 1.000 1.000 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.18591E-02 ppm1 1.043 ppm2 7.523 CV 1 ASSI { 2158} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 31 and name HD2%) 2.400 0.700 0.700 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.45693E-02 ppm1 1.635 ppm2 0.789 CV 1 ASSI { 2176} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 48 and name HG2%) 2.400 0.700 0.700 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.56493E-02 ppm1 1.660 ppm2 1.118 CV 1 ASSI { 2181} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD2%) 2.700 0.900 0.900 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.24435E-02 ppm1 2.212 ppm2 1.015 CV 1 ASSI { 2187} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 4 and name HD1%) 3.700 1.700 1.700 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.12284E-02 ppm1 2.769 ppm2 0.884 CV 1 ASSI { 2190} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HG1 )) 2.600 0.800 0.800 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.36567E-02 ppm1 3.221 ppm2 1.412 CV 1 ASSI { 2191} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG1 )) 2.700 0.900 0.900 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.38679E-02 ppm1 3.188 ppm2 1.411 CV 1 ASSI { 2192} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HB1 )) 2.700 0.900 0.900 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.28476E-02 ppm1 3.186 ppm2 2.046 CV 1 OR { 2192} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 2193} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG1 )) 2.800 1.000 1.000 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.53425E-02 ppm1 3.429 ppm2 1.947 CV 1 ASSI { 2194} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB2 )) 3.200 1.300 1.300 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.19196E-02 ppm1 3.431 ppm2 1.840 CV 1 ASSI { 2196} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG2 )) 2.500 0.800 0.800 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.33311E-02 ppm1 3.429 ppm2 1.633 CV 1 ASSI { 2197} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HB2 )) 2.900 1.000 1.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.30489E-02 ppm1 3.264 ppm2 1.848 CV 1 OR { 2197} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HB2 )) ASSI { 2198} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 1.000 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.34639E-02 ppm1 3.428 ppm2 2.188 CV 1 ASSI { 2201} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG1 )) 3.500 1.500 1.500 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.21093E-02 ppm1 4.193 ppm2 2.592 CV 1 ASSI { 2202} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG2 )) 2.700 0.900 0.900 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 4.195 ppm2 2.454 CV 1 ASSI { 2203} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG1 )) 2.500 0.800 0.800 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.53181E-02 ppm1 4.236 ppm2 2.566 CV 1 ASSI { 2204} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB1 )) 2.500 0.800 0.800 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.40037E-02 ppm1 4.236 ppm2 2.457 CV 1 ASSI { 2212} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB1 )) 2.600 0.800 0.800 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.34968E-02 ppm1 4.700 ppm2 3.456 CV 1 ASSI { 2213} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HD1 )) 2.000 0.500 0.500 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.76670E-02 ppm1 4.594 ppm2 4.010 CV 1 ASSI { 2223} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) 2.300 0.600 0.600 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.98973E-02 ppm1 4.647 ppm2 8.481 CV 1 ASSI { 2227} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HB1 )) 3.900 1.900 1.900 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.89143E-03 ppm1 0.338 ppm2 3.533 CV 1 ASSI { 2233} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB1 )) 2.400 0.700 0.700 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.56183E-02 ppm1 0.801 ppm2 1.450 CV 1 ASSI { 2242} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HG )) 2.400 0.700 0.700 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.64616E-02 ppm1 0.884 ppm2 1.704 CV 1 ASSI { 2269} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 49 and name HA )) 4.000 2.000 2.000 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.14983E-02 ppm1 2.212 ppm2 3.927 CV 1 ASSI { 2277} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HD% ) 2.500 0.800 0.800 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.30657E-02 ppm1 3.081 ppm2 7.169 CV 1 ASSI { 2278} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HN )) 3.800 1.800 1.800 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.17510E-02 ppm1 3.458 ppm2 8.065 CV 1 ASSI { 2281} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 35 and name HD% ) 3.700 1.700 1.700 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.13084E-02 ppm1 2.826 ppm2 7.172 CV 1 ASSI { 2282} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HN )) 3.300 1.400 1.400 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 1.412 ppm2 7.214 CV 1 ASSI { 2285} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB1 )) 3.400 1.500 1.500 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.10330E-02 ppm1 0.229 ppm2 2.940 CV 1 OR { 2285} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB1 )) ASSI { 2286} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB2 )) 3.500 1.600 1.600 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.13897E-02 ppm1 0.227 ppm2 2.823 CV 1 ASSI { 2287} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H5A )) 4.000 2.000 2.000 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.80535E-03 ppm1 0.342 ppm2 2.903 CV 1 OR { 2287} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H5B )) ASSI { 2289} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 48 and name HB )) 3.500 1.500 1.500 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.78357E-03 ppm1 0.342 ppm2 4.386 CV 1 ASSI { 2291} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HA )) 3.400 1.500 1.500 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.17648E-02 ppm1 0.839 ppm2 4.594 CV 1 ASSI { 2294} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HB2 )) 2.200 0.600 0.600 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.51768E-02 ppm1 1.348 ppm2 1.577 CV 1 ASSI { 2298} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HB1 )) 2.900 1.000 1.000 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.20118E-02 ppm1 1.716 ppm2 2.178 CV 1 ASSI { 2315} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HB1 )) 2.400 0.700 0.700 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.63315E-02 ppm1 1.947 ppm2 2.185 CV 1 ASSI { 2316} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB1 )) 1.800 0.400 0.400 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.68971E-02 ppm1 2.023 ppm2 2.251 CV 1 OR { 2316} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG1 )) ASSI { 2318} (( segid " " and resid 5 and name HG )) ( segid " " and resid 5 and name HD1%) 2.800 1.000 1.000 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.20522E-02 ppm1 1.554 ppm2 0.610 CV 1 OR { 2318} (( segid " " and resid 5 and name HG )) ( segid " " and resid 5 and name HD2%) ASSI { 2327} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HB2 )) 1.700 0.300 0.500 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.69423E-02 ppm1 2.257 ppm2 2.024 CV 1 ASSI { 2323} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG1 )) 2.800 1.000 1.000 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.24854E-02 ppm1 2.034 ppm2 1.407 CV 1 OR { 2323} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG1 )) ASSI { 2326} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 10 and name HD1%) 3.500 1.500 1.500 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.25388E-02 ppm1 2.316 ppm2 1.045 CV 1 ASSI { 2338} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG1 )) 3.200 1.300 1.300 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.11748E-02 ppm1 4.262 ppm2 2.754 CV 1 ASSI { 2340} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB1 )) 3.800 1.900 1.900 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.21806E-02 ppm1 4.261 ppm2 2.472 CV 1 ASSI { 2343} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG11)) 2.800 1.000 1.000 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.48194E-02 ppm1 4.591 ppm2 1.519 CV 1 ASSI { 2348} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HG2%) 2.500 0.800 0.800 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.49966E-02 ppm1 4.592 ppm2 0.988 CV 1 ASSI { 2350} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD2%) 3.700 1.700 1.700 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.21240E-02 ppm1 4.341 ppm2 1.056 CV 1 ASSI { 2357} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB1 )) 2.400 0.700 0.700 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.96796E-02 ppm1 4.320 ppm2 4.031 CV 1 ASSI { 2358} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) 2.700 0.900 0.900 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.42535E-02 ppm1 4.553 ppm2 4.131 CV 1 ASSI { 2361} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HN )) 4.400 2.400 1.600 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.71872E-03 ppm1 1.114 ppm2 8.358 CV 1 ASSI { 2362} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 65 and name HN )) 3.500 1.500 1.500 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.20043E-02 ppm1 0.946 ppm2 8.178 CV 1 ASSI { 2363} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HN )) 2.400 0.700 0.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.48301E-02 ppm1 0.987 ppm2 7.448 CV 1 ASSI { 2364} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HN )) 3.500 1.500 1.500 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.30281E-02 ppm1 0.948 ppm2 7.444 CV 1 ASSI { 2375} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HB1 )) 2.700 0.900 0.900 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.78886E-02 ppm1 2.542 ppm2 2.274 CV 1 ASSI { 2379} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HD2%) 4.100 2.100 1.900 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.14149E-02 ppm1 4.204 ppm2 1.125 CV 1 ASSI { 2382} (( segid " " and resid 10 and name HA )) ( segid " " and resid 52 and name HD1%) 3.500 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.15581E-02 ppm1 4.203 ppm2 0.869 CV 1 ASSI { 2383} (( segid " " and resid 49 and name HA )) ( segid " " and resid 74 and name HD2%) 3.500 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.15581E-02 ppm1 4.203 ppm2 0.869 CV 1 OR { 2383} (( segid " " and resid 49 and name HA )) ( segid " " and resid 74 and name HD1%) ASSI { 2384} (( segid " " and resid 49 and name HA )) ( segid " " and resid 48 and name HG2%) 3.400 1.400 1.400 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.93736E-03 ppm1 3.918 ppm2 1.118 CV 1 ASSI { 2385} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HG2 )) 3.000 1.100 1.100 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.17019E-02 ppm1 4.045 ppm2 1.393 CV 1 ASSI { 2386} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HD1 )) 3.300 1.300 1.300 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.14822E-02 ppm1 4.320 ppm2 3.197 CV 1 ASSI { 2388} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 81 and name HA )) 3.800 1.800 1.800 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.72274E-03 ppm1 4.020 ppm2 4.461 CV 1 OR { 2388} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HA )) ASSI { 2393} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HG12)) 2.600 0.800 0.800 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.40136E-02 ppm1 1.048 ppm2 1.510 CV 1 ASSI { 2394} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) 2.700 0.900 0.900 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.20613E-02 ppm1 1.373 ppm2 4.541 CV 1 ASSI { 2400} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HG2 )) 2.600 0.800 0.800 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.27751E-02 ppm1 3.224 ppm2 1.198 CV 1 ASSI { 2401} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG2 )) 2.700 0.900 0.900 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.29953E-02 ppm1 3.190 ppm2 1.200 CV 1 ASSI { 2405} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB1 )) 2.900 1.000 1.000 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.11507E-02 ppm1 3.079 ppm2 1.879 CV 1 ASSI { 2408} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 38 and name HG2%) 3.100 1.200 1.200 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.19143E-02 ppm1 3.303 ppm2 1.052 CV 1 ASSI { 2410} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 64 and name HG1%) 3.300 1.300 1.300 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.43253E-02 ppm1 4.012 ppm2 0.986 CV 1 ASSI { 2435} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HA )) 2.600 0.800 0.800 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.62012E-02 ppm1 2.839 ppm2 4.725 CV 1 OR { 2435} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HA )) ASSI { 2436} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HA )) 3.800 1.800 1.800 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.82723E-03 ppm1 2.807 ppm2 4.696 CV 1 ASSI { 2440} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HA )) 2.400 0.700 0.700 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.81526E-02 ppm1 4.359 ppm2 4.507 CV 1 ASSI { 2443} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.800 0.900 0.900 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.32590E-02 ppm1 4.357 ppm2 9.627 CV 1 ASSI { 2450} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG11)) 2.300 0.600 0.600 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.84114E-02 ppm1 0.838 ppm2 1.485 CV 1 ASSI { 2455} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HB1 )) 1.700 0.400 0.500 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.93909E-02 ppm1 1.044 ppm2 1.633 CV 1 ASSI { 2466} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HB1 )) 4.500 2.500 1.500 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.10669E-02 ppm1 4.421 ppm2 2.979 CV 1 ASSI { 2472} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.500 0.800 0.800 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.51861E-02 ppm1 4.194 ppm2 2.327 CV 1 ASSI { 2473} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB1 )) 3.000 1.100 1.100 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.23839E-02 ppm1 4.206 ppm2 2.309 CV 1 ASSI { 2478} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HN )) 3.800 1.800 1.800 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.10993E-02 ppm1 4.261 ppm2 8.886 CV 1 ASSI { 2480} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 3.100 1.200 1.200 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 4.201 ppm2 8.402 CV 1 ASSI { 2482} (( segid " " and resid 36 and name HA )) (( segid " " and resid 40 and name HN )) 3.500 1.500 1.500 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.74263E-03 ppm1 4.353 ppm2 7.989 CV 1 ASSI { 2490} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.13649E-02 ppm1 3.083 ppm2 4.904 CV 1 ASSI { 2491} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 4 and name HD1%) 3.000 1.900 1.900 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.88461E-03 ppm1 3.082 ppm2 0.885 CV 1 ASSI { 2492} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG12)) 3.200 1.300 1.300 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.16178E-02 ppm1 1.821 ppm2 1.126 CV 1 ASSI { 2494} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 74 and name HG )) 2.900 1.000 1.000 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.18989E-02 ppm1 1.732 ppm2 0.989 CV 1 OR { 2494} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 74 and name HD2%) OR { 2494} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 74 and name HD1%) ASSI { 2496} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 78 and name HG2%) 2.900 1.100 1.100 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.33801E-02 ppm1 1.729 ppm2 0.864 CV 1 ASSI { 2504} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.13776E-02 ppm1 0.786 ppm2 2.218 CV 1 ASSI { 2505} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HG2 )) 2.600 2.600 3.400 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.90488E-03 ppm1 0.790 ppm2 2.362 CV 1 ASSI { 2507} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.13016E-02 ppm1 0.840 ppm2 3.922 CV 1 ASSI { 2509} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.800 1.000 1.000 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.30917E-02 ppm1 4.096 ppm2 8.174 CV 1 ASSI { 2510} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 56 and name HN )) 4.300 2.300 1.700 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 4.088 ppm2 8.064 CV 1 OR { 2510} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HN )) ASSI { 2512} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HD% ) 3.800 1.800 1.800 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.11999E-02 ppm1 3.324 ppm2 7.314 CV 1 ASSI { 2513} (( segid " " and resid 45 and name HA )) ( segid " " and resid 40 and name HD% ) 3.300 1.300 1.300 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.86678E-03 ppm1 3.878 ppm2 6.981 CV 1 ASSI { 2518} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 38 and name HG2%) 2.700 0.900 0.900 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.42743E-02 ppm1 1.504 ppm2 1.023 CV 1 ASSI { 2520} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HG2 )) 2.500 0.800 0.800 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.63921E-02 ppm1 2.192 ppm2 2.455 CV 1 ASSI { 2523} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) 3.500 1.500 1.500 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.15129E-02 ppm1 3.027 ppm2 1.859 CV 1 ASSI { 2524} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG1 )) 3.800 1.800 1.800 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.78752E-03 ppm1 1.458 ppm2 2.771 CV 1 ASSI { 2526} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 42 and name H4A )) 2.600 1.200 1.200 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.90398E-03 ppm1 1.338 ppm2 2.781 CV 1 OR { 2526} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 42 and name H4B )) ASSI { 2530} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HB1 )) 3.500 1.500 1.500 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.15129E-02 ppm1 3.027 ppm2 1.859 CV 1 ASSI { 2532} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 67 and name HN )) 3.600 1.600 1.600 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.11071E-02 ppm1 4.021 ppm2 7.654 CV 1 ASSI { 2537} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HN )) 5.400 3.600 0.600 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.40103E-03 ppm1 1.050 ppm2 7.608 CV 1 ASSI { 2539} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 72 and name HA )) 3.300 1.400 1.400 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.12155E-02 ppm1 1.564 ppm2 3.611 CV 1 ASSI { 2544} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HB1 )) 3.700 1.700 1.700 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.13745E-02 ppm1 3.488 ppm2 1.856 CV 1 ASSI { 2571} (( segid " " and resid 85 and name HB% )) (( segid " " and resid 85 and name HA )) 2.800 0.900 0.900 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.10539E-01 ppm1 1.565 ppm2 4.470 CV 1 ASSI { 2576} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HB1 )) 1.800 0.400 0.400 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.10539E-01 ppm1 1.431 ppm2 1.977 CV 1 ASSI { 2577} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HB1 )) 1.700 0.400 0.500 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.11138E-01 ppm1 1.447 ppm2 2.212 CV 1 ASSI { 2579} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 2.600 0.800 0.800 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.29575E-02 ppm1 2.264 ppm2 7.803 CV 1 ASSI { 2583} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HN )) 2.900 1.000 1.000 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.24613E-02 ppm1 1.558 ppm2 8.274 CV 1 ASSI { 2584} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HN )) 3.300 1.400 1.400 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.27545E-02 ppm1 1.603 ppm2 8.153 CV 1 ASSI { 2603} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.700 0.900 0.900 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.22224E-02 ppm1 1.435 ppm2 8.453 CV 1 ASSI { 2606} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB1 )) 2.400 0.700 0.700 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.46849E-02 ppm1 4.358 ppm2 1.450 CV 1 ASSI { 2607} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HB2 )) 4.000 2.000 2.000 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.13893E-02 ppm1 4.454 ppm2 2.132 CV 1 ASSI { 2609} (( segid " " and resid 33 and name HG )) ( segid " " and resid 33 and name HD2%) 2.400 0.700 0.700 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.50588E-02 ppm1 1.771 ppm2 1.050 CV 1 ASSI { 2626} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB1 )) 2.400 2.400 3.600 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.18770E-02 ppm1 3.285 ppm2 2.179 CV 1 ASSI { 2630} (( segid " " and resid 70 and name HB )) (( segid " " and resid 71 and name HD1 )) 3.000 1.100 1.100 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.34340E-02 ppm1 4.590 ppm2 4.049 CV 1 ASSI { 2662} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 14 and name HD2%) 3.200 1.300 1.300 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.32870E-02 ppm1 1.436 ppm2 0.883 CV 1 ASSI { 2663} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HN )) 3.400 1.400 1.400 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.95862E-03 ppm1 4.454 ppm2 7.754 CV 1 ASSI { 2670} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 7 and name HG2%) 3.200 1.300 1.300 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.21343E-02 ppm1 7.218 ppm2 1.384 CV 1 ASSI { 2674} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HE% ) 3.000 1.100 1.100 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.25114E-02 ppm1 1.523 ppm2 6.744 CV 1 ASSI { 2676} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HD% ) 3.500 1.500 1.500 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.13698E-02 ppm1 1.521 ppm2 6.976 CV 1 ASSI { 2686} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD2%) 3.300 1.400 1.400 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 4.359 ppm2 0.801 CV 1 ASSI { 2688} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 8 and name HA )) 3.100 1.200 1.200 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.24968E-02 ppm1 2.031 ppm2 4.609 CV 1 OR { 2688} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 8 and name HA )) ASSI { 2690} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HG11)) 2.500 0.800 0.800 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.29246E-02 ppm1 1.931 ppm2 1.730 CV 1 ASSI { 2696} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 2.700 0.900 0.900 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.65589E-02 ppm1 4.747 ppm2 2.860 CV 1 ASSI { 2698} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB1 )) 2.500 0.800 0.800 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.58774E-02 ppm1 4.745 ppm2 3.282 CV 1 ASSI { 2702} (( segid " " and resid 71 and name HA )) ( segid " " and resid 35 and name HE% ) 3.300 1.400 1.400 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.25533E-02 ppm1 4.224 ppm2 6.965 CV 1 ASSI { 2703} (( segid " " and resid 71 and name HA )) (( segid " " and resid 35 and name HZ )) 2.300 0.700 0.700 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.48336E-02 ppm1 4.224 ppm2 6.885 CV 1 ASSI { 2707} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HB2 )) 2.500 0.800 0.800 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.52910E-02 ppm1 2.392 ppm2 2.132 CV 1 ASSI { 2714} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 10 and name HD2%) 3.400 1.400 1.400 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 2717} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H30%) 3.000 3.000 3.000 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.38558E-03 ppm1 2.680 ppm2 0.969 CV 1 ASSI { 2718} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H31%) 2.800 2.800 3.200 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.51278E-03 ppm1 2.676 ppm2 1.063 CV 1 ASSI { 2719} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H31%) 2.800 2.800 3.200 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.51278E-03 ppm1 2.676 ppm2 1.063 CV 1 ASSI { 2721} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 58 and name HG2%) 4.900 3.000 1.100 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.69396E-03 ppm1 2.760 ppm2 0.945 CV 1 ASSI { 2722} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 60 and name HD1%) 4.000 2.000 2.000 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.80094E-03 ppm1 2.756 ppm2 0.826 CV 1 ASSI { 2723} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 52 and name HB2 ) 4.400 2.500 1.600 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.58725E-03 ppm1 2.756 ppm2 1.462 CV 1 ASSI { 2724} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 49 and name HB% ) 4.600 2.600 1.400 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.35080E-03 ppm1 2.780 ppm2 1.463 CV 1 ASSI { 2729} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 49 and name HB% ) 4.800 2.800 1.200 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.29213E-03 ppm1 2.676 ppm2 1.444 CV 1 ASSI { 2734} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HB )) 3.700 1.700 1.700 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.78867E-03 ppm1 4.372 ppm2 2.393 CV 1 ASSI { 2739} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HD1 )) 4.000 2.000 2.000 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.90209E-03 ppm1 4.225 ppm2 3.432 CV 1 ASSI { 2745} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HD2 )) 3.400 1.400 1.400 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.70083E-03 ppm1 4.229 ppm2 3.293 CV 1 ASSI { 2748} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HG )) 4.400 2.500 1.600 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.55761E-03 ppm1 3.608 ppm2 1.217 CV 1 ASSI { 2753} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HA )) 3.900 1.900 1.900 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.53524E-03 ppm1 3.608 ppm2 3.326 CV 1 ASSI { 2759} (( segid " " and resid 11 and name HA )) ( segid " " and resid 30 and name HE% ) 3.600 1.600 1.600 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.10265E-02 ppm1 3.549 ppm2 7.223 CV 1 ASSI { 2762} (( segid " " and resid 53 and name HA )) (( segid " " and resid 57 and name HN )) 3.500 1.500 1.500 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.78571E-03 ppm1 4.117 ppm2 7.943 CV 1 ASSI { 2764} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) 3.400 1.500 1.500 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 4.028 ppm2 8.464 CV 1 ASSI { 2766} (( segid " " and resid 12 and name HA )) (( segid " " and resid 16 and name HN )) 3.900 1.900 1.900 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.53255E-03 ppm1 4.031 ppm2 8.254 CV 1 ASSI { 2767} (( segid " " and resid 75 and name HA )) (( segid " " and resid 79 and name HN )) 3.700 1.700 1.700 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.61042E-03 ppm1 3.878 ppm2 8.879 CV 1 ASSI { 2769} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 72 and name HN )) 4.300 2.300 1.700 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.63200E-03 ppm1 2.252 ppm2 9.021 CV 1 ASSI { 2771} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 59 and name HN )) 3.600 1.600 1.600 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.11012E-02 ppm1 1.635 ppm2 8.478 CV 1 ASSI { 2774} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HN )) 4.400 2.500 1.600 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.81800E-03 ppm1 2.352 ppm2 8.071 CV 1 ASSI { 2775} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HN )) 4.600 2.600 1.400 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.59297E-03 ppm1 2.676 ppm2 8.449 CV 1 ASSI { 2776} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HN )) 4.700 2.800 1.300 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.59861E-03 ppm1 2.776 ppm2 8.445 CV 1 ASSI { 2777} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 63 and name HN )) 3.300 1.300 1.300 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.79905E-03 ppm1 2.076 ppm2 8.541 CV 1 ASSI { 2781} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 70 and name HN )) 4.100 2.100 1.900 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.39922E-03 ppm1 2.617 ppm2 7.459 CV 1 ASSI { 2783} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 64 and name HN )) 4.800 2.900 1.200 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.51409E-03 ppm1 2.517 ppm2 7.440 CV 1 ASSI { 2785} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HD% ) 4.600 2.600 1.400 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.90211E-03 ppm1 1.583 ppm2 7.431 CV 1 ASSI { 2786} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 3 and name HN )) 4.000 2.000 2.000 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.51396E-03 ppm1 1.644 ppm2 8.668 CV 1 ASSI { 2789} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HN )) 4.300 2.300 1.700 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.54778E-03 ppm1 1.454 ppm2 8.458 CV 1 ASSI { 2791} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HN )) 6.000 5.400 0.000 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.11417E-03 ppm1 1.404 ppm2 8.249 CV 1 ASSI { 2792} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HN )) 4.600 2.700 1.400 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.59629E-03 ppm1 1.405 ppm2 7.895 CV 1 ASSI { 2794} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 64 and name HN )) 4.500 2.500 1.500 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.71006E-03 ppm1 1.338 ppm2 7.446 CV 1 ASSI { 2797} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 42 and name H7A )) 3.700 1.700 1.700 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.56312E-03 ppm1 1.338 ppm2 7.252 CV 1 OR { 2797} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 42 and name H11A )) ASSI { 2798} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 56 and name HE% ) 4.300 2.400 1.700 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.61469E-03 ppm1 1.659 ppm2 6.813 CV 1 ASSI { 2799} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 30 and name HD% ) 3.300 1.400 1.400 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.78730E-03 ppm1 2.024 ppm2 7.311 CV 1 ASSI { 2801} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 30 and name HE% ) 3.100 1.200 1.200 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 2.042 ppm2 7.214 CV 1 OR { 2801} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 30 and name HE% ) ASSI { 2803} (( segid " " and resid 74 and name HD1% )) ( segid " " and resid 74 and name HN ) 3.100 1.200 1.200 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 2.042 ppm2 7.214 CV 1 OR { 2803} (( segid " " and resid 74 and name HD2% )) ( segid " " and resid 74 and name HN ) ASSI { 2810} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HN )) 4.200 2.200 1.800 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.58432E-03 ppm1 1.112 ppm2 8.160 CV 1 ASSI { 2813} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 35 and name HD% ) 3.600 3.600 2.400 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.92290E-03 ppm1 1.142 ppm2 7.170 CV 1 ASSI { 2816} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 56 and name HD% ) 3.300 1.400 1.400 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.70116E-03 ppm1 1.874 ppm2 7.428 CV 1 ASSI { 2826} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 40 and name HD% ) 4.100 2.100 1.900 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.81450E-03 ppm1 1.051 ppm2 6.981 CV 1 ASSI { 2832} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HB1 )) 3.700 1.700 1.700 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.67944E-03 ppm1 0.227 ppm2 3.547 CV 1 ASSI { 2839} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HA )) 3.500 1.500 1.500 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.67980E-03 ppm1 0.929 ppm2 4.233 CV 1 ASSI { 2844} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HA )) 4.100 2.100 1.900 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.68862E-03 ppm1 1.382 ppm2 4.617 CV 1 ASSI { 2854} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HB2 )) 3.500 1.600 1.600 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.59744E-03 ppm1 0.227 ppm2 3.079 CV 1 ASSI { 2857} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HA )) 3.800 1.800 1.800 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.55797E-03 ppm1 1.119 ppm2 3.556 CV 1 ASSI { 2859} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 56 and name HB1 )) 3.700 1.700 1.700 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.45145E-03 ppm1 0.869 ppm2 3.455 CV 1 ASSI { 2862} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 68 and name HG1%) 3.900 1.900 1.900 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.58415E-03 ppm1 1.849 ppm2 1.137 CV 1 ASSI { 2871} (( segid " " and resid 72 and name HG2 )) ( segid " " and resid 72 and name HN) 3.100 1.500 1.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14556E-01 ppm1 1.687 ppm2 0.865 CV 1 ASSI { 2872} (( segid " " and resid 72 and name HG1 )) ( segid " " and resid 72 and name HN) 3.100 1.500 1.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14556E-01 ppm1 1.687 ppm2 0.865 CV 1 ASSI { 2875} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HN )) 4.300 2.400 1.700 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.78922E-03 ppm1 1.689 ppm2 8.715 CV 1 ASSI { 2876} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HN )) 4.200 2.200 1.800 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 1.913 ppm2 8.013 CV 1 ASSI { 2877} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HE )) 3.400 1.500 1.500 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.82499E-03 ppm1 1.714 ppm2 7.396 CV 1 OR { 2877} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HE )) ASSI { 2883} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HZ )) 4.100 2.100 1.900 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.67147E-03 ppm1 0.227 ppm2 6.874 CV 1 ASSI { 2885} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HN )) 4.100 2.100 1.900 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.67147E-03 ppm1 0.227 ppm2 6.874 CV 1 ASSI { 2888} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HE )) 3.300 1.400 1.400 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.14750E-02 ppm1 1.196 ppm2 7.320 CV 1 ASSI { 2889} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HA )) 3.400 1.400 1.400 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.94246E-03 ppm1 1.629 ppm2 4.736 CV 1 ASSI { 2890} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HA )) 3.500 1.600 1.600 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.97875E-03 ppm1 1.937 ppm2 4.734 CV 1 ASSI { 2891} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HA )) 3.400 1.500 1.500 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.10071E-02 ppm1 2.048 ppm2 4.313 CV 1 ASSI { 2892} (( segid " " and resid 52 and name HG )) (( segid " " and resid 49 and name HA )) 3.300 1.300 1.300 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.63061E-03 ppm1 2.050 ppm2 3.930 CV 1 ASSI { 2897} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HB )) 4.700 2.800 1.300 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.52910E-03 ppm1 1.458 ppm2 4.411 CV 1 ASSI { 2901} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 11 and name HA )) 4.100 2.100 1.900 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.75791E-03 ppm1 0.801 ppm2 3.549 CV 1 ASSI { 2904} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HA )) 3.800 1.800 1.800 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.80072E-03 ppm1 0.602 ppm2 4.210 CV 1 ASSI { 2924} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 58 and name HG1%) 3.700 1.700 1.700 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.78201E-03 ppm1 2.474 ppm2 0.927 CV 1 ASSI { 2933} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HN )) 4.000 2.000 2.000 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.62294E-03 ppm1 0.788 ppm2 9.050 CV 1 ASSI { 2936} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 6 and name HN )) 4.400 2.500 1.600 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.56860E-03 ppm1 0.602 ppm2 9.052 CV 1 ASSI { 2937} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HN )) 4.200 2.200 1.800 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.60267E-03 ppm1 1.040 ppm2 8.705 CV 1 ASSI { 2938} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 79 and name HN )) 4.500 2.600 1.500 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.49054E-03 ppm1 0.600 ppm2 8.867 CV 1 ASSI { 2939} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HN )) 5.100 2.100 0.900 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.67147E-03 ppm1 0.227 ppm2 6.874 CV 1 ASSI { 2943} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HN )) 5.200 3.300 0.800 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.42930E-03 ppm1 0.225 ppm2 8.251 CV 1 ASSI { 2948} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 49 and name HA )) 4.500 2.600 1.500 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.43439E-03 ppm1 0.995 ppm2 3.901 CV 1 ASSI { 2950} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG2 )) 2.600 0.800 0.800 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.14221E-02 ppm1 2.020 ppm2 1.385 CV 1 ASSI { 2951} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HB2 )) 3.700 1.700 1.700 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.68826E-03 ppm1 0.873 ppm2 2.795 CV 1 ASSI { 2956} (( segid " " and resid 78 and name HA )) (( segid " " and resid 81 and name HN )) 3.500 1.500 1.500 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 3.740 ppm2 7.622 CV 1 ASSI { 2957} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HN )) 4.100 2.100 1.900 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 3.747 ppm2 8.230 CV 1 ASSI { 2959} (( segid " " and resid 71 and name HA )) ( segid " " and resid 30 and name HE% ) 4.300 2.300 1.700 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.74142E-03 ppm1 4.220 ppm2 7.197 CV 1 ASSI { 2963} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HG )) 3.200 1.300 1.300 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.11547E-02 ppm1 3.547 ppm2 1.887 CV 1 ASSI { 2974} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 62 and name HN )) 4.100 2.100 1.900 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.76509E-03 ppm1 2.076 ppm2 8.737 CV 1 ASSI { 2976} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 62 and name HN )) 5.400 3.600 0.600 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.44669E-03 ppm1 2.120 ppm2 8.733 CV 1 OR { 2976} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 62 and name HN )) ASSI { 2978} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 35 and name HZ )) 4.200 2.200 1.800 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.27915E-03 ppm1 2.203 ppm2 6.891 CV 1 ASSI { 2979} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HE )) 3.200 1.300 1.300 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.98702E-03 ppm1 1.405 ppm2 7.317 CV 1 ASSI { 2986} (( segid " " and resid 64 and name HA )) (( segid " " and resid 61 and name HB2 )) 4.200 2.200 1.800 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.99619E-03 ppm1 3.886 ppm2 2.075 CV 1 ASSI { 2990} (( segid " " and resid 72 and name HA )) (( segid " " and resid 71 and name HB2 )) 3.900 1.900 1.900 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.52067E-03 ppm1 3.610 ppm2 2.032 CV 1 ASSI { 2992} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 64 and name HA )) 3.400 1.500 1.500 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.96264E-03 ppm1 1.726 ppm2 3.887 CV 1 ASSI { 2993} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 31 and name HD1%) 5.200 3.300 0.800 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.57791E-03 ppm1 1.856 ppm2 0.472 CV 1 ASSI { 2999} (( segid " " and resid 68 and name HG2% )) ( segid " " and resid 42 and name H5%) 5.200 3.300 0.800 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.57791E-03 ppm1 1.856 ppm2 0.472 CV 1 ASSI { 3001} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 3.400 1.400 1.400 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.84586E-03 ppm1 1.837 ppm2 4.731 CV 1 ASSI { 3005} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HE )) 3.700 1.700 1.700 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.54422E-03 ppm1 1.925 ppm2 7.873 CV 1 ASSI { 3008} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HN )) 4.500 2.500 1.500 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.75824E-03 ppm1 1.689 ppm2 8.015 CV 1 ASSI { 3010} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HN )) 4.500 2.500 1.500 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.43036E-03 ppm1 0.871 ppm2 9.422 CV 1 ASSI { 3015} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HN )) 3.300 1.400 1.400 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 1.114 ppm2 8.383 CV 1 ASSI { 3019} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 37 and name HN )) 3.500 1.500 1.500 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.74657E-03 ppm1 2.191 ppm2 7.591 CV 1 ASSI { 3021} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.800 1.800 1.800 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.63948E-03 ppm1 2.154 ppm2 7.602 CV 1 ASSI { 3024} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HD2 )) 3.500 1.500 1.500 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.11719E-02 ppm1 1.836 ppm2 3.340 CV 1 ASSI { 3027} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HD2 )) 3.500 1.500 1.500 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.15129E-02 ppm1 3.027 ppm2 1.859 CV 1 ASSI { 3029} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 56 and name HB1 )) 4.700 2.800 1.300 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.36874E-03 ppm1 0.644 ppm2 3.452 CV 1 ASSI { 3037} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 31 and name HD2%) 4.100 2.100 1.900 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.52617E-03 ppm1 2.257 ppm2 0.787 CV 1 ASSI { 3041} (( segid " " and resid 73 and name HG2 )) ( segid " " and resid 68 and name HG1%) 4.800 2.900 1.200 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.50125E-03 ppm1 2.558 ppm2 1.133 CV 1 ASSI { 3049} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HB1 )) 3.400 1.400 1.400 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.71214E-03 ppm1 0.344 ppm2 1.651 CV 1 ASSI { 3052} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HD% ) 3.500 1.500 1.500 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.97105E-03 ppm1 0.804 ppm2 7.316 CV 1 ASSI { 3056} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 73 and name HN )) 3.400 1.500 1.500 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.70294E-03 ppm1 1.859 ppm2 7.843 CV 1 ASSI { 3057} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 73 and name HN )) 3.400 1.500 1.500 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.70294E-03 ppm1 1.859 ppm2 7.843 CV 1 ASSI { 3058} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HE )) 3.700 1.800 1.800 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.39574E-03 ppm1 1.630 ppm2 7.878 CV 1 ASSI { 3073} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HD21)) 4.500 2.500 1.500 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.46249E-03 ppm1 0.885 ppm2 7.393 CV 1 ASSI { 3076} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HE% ) 4.600 2.600 1.400 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.62302E-03 ppm1 1.033 ppm2 7.220 CV 1 ASSI { 3078} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HD% ) 4.700 2.700 1.300 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.64641E-03 ppm1 1.030 ppm2 7.318 CV 1 ASSI { 3085} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 13 and name HN )) 5.000 3.200 1.000 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.35984E-03 ppm1 1.917 ppm2 7.720 CV 1 ASSI { 3086} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HN )) 4.200 2.200 1.800 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.93471E-03 ppm1 2.543 ppm2 7.757 CV 1 ASSI { 3099} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HA )) 4.800 2.800 1.200 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.68297E-03 ppm1 3.321 ppm2 4.225 CV 1 ASSI { 3100} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HE% ) 5.000 3.100 1.000 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.40670E-03 ppm1 1.582 ppm2 6.809 CV 1 ASSI { 3107} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 45 and name HD2%) 4.300 2.300 1.700 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.64967E-03 ppm1 3.087 ppm2 0.345 CV 1 ASSI { 3113} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HG12)) 4.500 2.500 1.500 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.53425E-03 ppm1 3.570 ppm2 1.122 CV 1 ASSI { 3120} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 64 and name HA )) 3.200 1.300 1.300 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.12097E-02 ppm1 3.266 ppm2 3.893 CV 1 OR { 3120} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 64 and name HA )) ASSI { 3125} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HA )) 3.700 1.700 1.700 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.12470E-02 ppm1 3.262 ppm2 4.589 CV 1 OR { 3125} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HA )) ASSI { 3128} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.24931E-02 ppm1 3.068 ppm2 4.813 CV 1 ASSI { 3131} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HN )) 4.200 2.200 1.800 peak 3630 spectrum 1 weight 0.10000E+01 volume 0.50223E-03 ppm1 2.359 ppm2 7.216 CV 1 ASSI { 3135} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 3.100 1.200 1.200 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.10993E-02 ppm1 3.083 ppm2 9.630 CV 1 ASSI { 3140} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 33 and name HN )) 3.300 1.300 1.300 peak 3140 spectrum 1 weight 0.10000E+01 volume 0.61981E-03 ppm1 2.921 ppm2 7.198 CV 1 ASSI { 3142} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 30 and name HD% ) 4.200 2.200 1.800 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.80967E-03 ppm1 2.313 ppm2 7.329 CV 1 ASSI { 3144} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HN )) 4.200 2.200 1.800 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.75377E-03 ppm1 1.775 ppm2 8.431 CV 1 ASSI { 3146} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HN )) 3.500 1.600 1.600 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.16868E-02 ppm1 1.475 ppm2 8.238 CV 1 ASSI { 3148} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 8 and name HA )) 4.000 2.000 2.000 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.52913E-03 ppm1 3.183 ppm2 4.613 CV 1 ASSI { 3149} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 9 and name HA )) 4.500 2.500 1.500 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.45545E-03 ppm1 3.365 ppm2 4.531 CV 1 ASSI { 3150} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 48 and name HA )) 2.600 2.600 3.400 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.80770E-03 ppm1 3.283 ppm2 3.933 CV 1 ASSI { 3151} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 11 and name HA )) 3.800 1.800 1.800 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.11041E-02 ppm1 1.974 ppm2 3.546 CV 1 ASSI { 3152} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD2 )) 4.400 2.400 1.600 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.82425E-03 ppm1 1.820 ppm2 3.562 CV 1 ASSI { 3158} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 32 and name HN )) 3.600 1.600 1.600 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.041 ppm2 8.033 CV 1 ASSI { 3161} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 79 and name HD21 ) 5.500 3.800 0.500 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.21502E-03 ppm1 2.747 ppm2 1.628 CV 1 ASSI { 3178} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HA )) 3.500 3.500 2.500 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.20901E-02 ppm1 1.473 ppm2 3.878 CV 1 ASSI { 3180} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 2.800 0.900 0.900 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.041 ppm2 8.033 CV 1 ASSI { 3181} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HA )) 2.800 0.900 0.900 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.041 ppm2 8.033 CV 1 ASSI { 3187} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG1 )) 3.000 3.000 3.000 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 0.840 ppm2 2.762 CV 1 ASSI { 3190} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HA )) 2.900 2.900 3.100 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.48251E-03 ppm1 0.790 ppm2 4.120 CV 1 ASSI { 3194} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HD1 )) 2.800 2.800 3.200 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.92501E-03 ppm1 0.839 ppm2 4.009 CV 1 ASSI { 3208} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 64 and name HB )) 3.700 1.700 1.700 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.11497E-02 ppm1 0.837 ppm2 2.198 CV 1 ASSI { 3211} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HN )) 4.100 2.100 1.900 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.10386E-02 ppm1 1.667 ppm2 8.723 CV 1 ASSI { 3212} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 6 and name HN )) 3.900 1.900 1.900 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.91707E-03 ppm1 1.573 ppm2 9.047 CV 1 ASSI { 3213} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HN )) 3.700 1.700 1.700 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.69752E-03 ppm1 1.635 ppm2 9.045 CV 1 ASSI { 3222} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 6 and name HN )) 5.000 3.100 1.000 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.43842E-03 ppm1 1.366 ppm2 9.056 CV 1 ASSI { 3223} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 30 and name HD% ) 3.600 1.600 1.600 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.70853E-03 ppm1 1.252 ppm2 7.316 CV 1 ASSI { 3226} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 30 and name HD% ) 3.300 1.400 1.400 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.56569E-03 ppm1 1.455 ppm2 7.311 CV 1 ASSI { 3229} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HA )) 4.400 2.400 1.600 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.84158E-03 ppm1 3.033 ppm2 4.360 CV 1 ASSI { 3230} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 68 and name HA )) 5.000 3.400 1.000 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.35373E-03 ppm1 2.854 ppm2 4.424 CV 1 ASSI { 3233} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 27 and name HA )) 3.900 1.900 1.900 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.10295E-02 ppm1 3.223 ppm2 4.325 CV 1 ASSI { 3234} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 40 and name HA )) 3.700 1.700 1.700 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.74005E-03 ppm1 3.853 ppm2 4.583 CV 1 ASSI { 3236} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HE )) 3.400 1.500 1.500 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.79530E-03 ppm1 3.366 ppm2 7.509 CV 1 ASSI { 3238} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HN )) 5.000 3.200 1.000 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.48895E-03 ppm1 4.023 ppm2 8.884 CV 1 OR { 3238} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HN )) ASSI { 3243} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 83 and name HN )) 3.400 1.500 1.500 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.14606E-02 ppm1 4.025 ppm2 7.963 CV 1 OR { 3243} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 83 and name HN )) ASSI { 3244} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HN )) 3.200 1.300 1.300 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.15363E-02 ppm1 4.222 ppm2 7.964 CV 1 ASSI { 3246} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 33 and name HN )) 3.600 1.600 1.600 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.82296E-03 ppm1 4.041 ppm2 7.202 CV 1 ASSI { 3254} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HG1 )) 4.300 2.300 1.700 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.59908E-03 ppm1 4.450 ppm2 2.489 CV 1 ASSI { 3263} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 38 and name HD1%) 3.000 3.000 3.000 peak 3263 spectrum 1 weight 0.10000E+01 volume 0.61212E-03 ppm1 4.040 ppm2 0.891 CV 1 ASSI { 3267} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HG1 )) 2.500 0.800 0.800 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.52256E-02 ppm1 3.347 ppm2 1.943 CV 1 ASSI { 3269} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG1 )) 2.500 0.800 0.800 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.46833E-02 ppm1 3.310 ppm2 1.928 CV 1 ASSI { 3271} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 3.600 1.700 1.700 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.59705E-03 ppm1 3.001 ppm2 2.200 CV 1 ASSI { 3284} (( segid " " and resid 38 and name HB )) ( segid " " and resid 24 and name HG2%) 4.300 2.300 1.700 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.43480E-03 ppm1 2.417 ppm2 1.251 CV 1 ASSI { 3306} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 44 and name HB% ) 3.800 1.800 1.800 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.98924E-03 ppm1 2.952 ppm2 1.521 CV 1 ASSI { 3336} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.100 3.100 2.900 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.29832E-03 ppm1 0.792 ppm2 7.428 CV 1 ASSI { 3373} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HD1%) 2.900 1.100 1.100 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.18458E-02 ppm1 6.974 ppm2 0.892 CV 1 ASSI { 3374} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 14 and name HD1%) 3.800 1.800 1.800 peak 3374 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 6.976 ppm2 0.719 CV 1 ASSI { 3381} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 33 and name HD2%) 4.100 2.100 1.900 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 7.308 ppm2 1.054 CV 1 ASSI { 3382} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 31 and name HG )) 3.600 1.700 1.700 peak 3382 spectrum 1 weight 0.10000E+01 volume 0.79543E-03 ppm1 7.307 ppm2 1.221 CV 1 ASSI { 3384} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HB2 )) 3.000 1.100 1.100 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.15542E-02 ppm1 6.810 ppm2 1.374 CV 1 ASSI { 3385} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HB1 )) 3.000 1.100 1.100 peak 3385 spectrum 1 weight 0.10000E+01 volume 0.15566E-02 ppm1 6.806 ppm2 1.584 CV 1 ASSI { 3386} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 38 and name HG11 )) 3.400 1.400 1.400 peak 3386 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 6.740 ppm2 1.834 CV 1 ASSI { 3389} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HG2%) 3.400 1.500 1.500 peak 3389 spectrum 1 weight 0.10000E+01 volume 0.11551E-02 ppm1 6.739 ppm2 1.048 CV 1 ASSI { 3390} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 48 and name HG2%) 3.500 1.600 1.600 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.12100E-02 ppm1 6.741 ppm2 1.089 CV 1 ASSI { 3391} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HB1 )) 2.900 1.100 1.100 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.12303E-02 ppm1 7.222 ppm2 2.250 CV 1 ASSI { 3392} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HB2 )) 3.000 1.200 1.200 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.15731E-02 ppm1 7.219 ppm2 2.034 CV 1 ASSI { 3393} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 10 and name HG )) 3.200 1.300 1.300 peak 3393 spectrum 1 weight 0.10000E+01 volume 0.85887E-03 ppm1 7.222 ppm2 1.882 CV 1 ASSI { 3394} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 38 and name HB )) 3.800 1.800 1.800 peak 3394 spectrum 1 weight 0.10000E+01 volume 0.53228E-03 ppm1 6.740 ppm2 2.404 CV 1 ASSI { 3395} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HB2 )) 4.300 2.300 1.700 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.83600E-03 ppm1 6.739 ppm2 2.823 CV 1 ASSI { 3399} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 52 and name HB2 )) 3.800 1.800 1.800 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.99343E-03 ppm1 7.429 ppm2 1.451 CV 1 ASSI { 3400} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 3 and name HG2% )) 3.200 1.300 1.300 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.10225E-02 ppm1 7.429 ppm2 1.371 CV 1 ASSI { 3402} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HB1 )) 4.300 2.300 1.700 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.90877E-03 ppm1 6.809 ppm2 3.455 CV 1 ASSI { 3403} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 44 and name HB% ) 2.400 0.700 0.700 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.49059E-02 ppm1 6.974 ppm2 1.520 CV 1 ASSI { 3405} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 45 and name HG )) 3.500 1.500 1.500 peak 3405 spectrum 1 weight 0.10000E+01 volume 0.91206E-03 ppm1 6.980 ppm2 1.407 CV 1 ASSI { 3408} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 14 and name HD2%) 3.100 1.200 1.200 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.17610E-02 ppm1 7.223 ppm2 0.885 CV 1 ASSI { 3409} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.000 1.200 1.200 peak 3409 spectrum 1 weight 0.10000E+01 volume 0.12095E-02 ppm1 7.170 ppm2 0.900 CV 1 ASSI { 3413} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 45 and name HD1%) 4.200 2.200 1.800 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.87793E-03 ppm1 6.977 ppm2 0.233 CV 1 ASSI { 3415} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD1%) 3.400 1.500 1.500 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.10661E-02 ppm1 7.425 ppm2 0.630 CV 1 OR { 3415} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD2%) ASSI { 3423} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 2.700 0.900 0.900 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.27096E-02 ppm1 4.392 ppm2 2.137 CV 1 ASSI { 3428} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HB2 )) 3.200 1.300 1.300 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.10715E-02 ppm1 7.307 ppm2 2.026 CV 1 ASSI { 3429} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HA )) 4.000 2.000 2.000 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.93964E-03 ppm1 7.309 ppm2 4.720 CV 1 ASSI { 3431} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 5 and name HB1 )) 3.300 1.400 1.400 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.13948E-02 ppm1 7.429 ppm2 1.590 CV 1 ASSI { 3433} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 30 and name HE% ) 3.900 1.900 1.900 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.53036E-03 ppm1 0.791 ppm2 7.217 CV 1 ASSI { 3443} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 40 and name HE% ) 4.200 2.300 1.800 peak 3443 spectrum 1 weight 0.10000E+01 volume 0.50347E-03 ppm1 0.339 ppm2 6.742 CV 1 ASSI { 3444} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 40 and name HE% ) 4.800 2.800 1.200 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.46101E-03 ppm1 0.231 ppm2 6.745 CV 1 ASSI { 3447} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 40 and name HE% ) 2.700 2.700 3.300 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.68111E-03 ppm1 1.113 ppm2 6.740 CV 1 ASSI { 3454} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HN )) 4.900 3.100 1.100 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.57553E-03 ppm1 1.059 ppm2 7.822 CV 1 ASSI { 3457} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 35 and name HZ )) 3.900 1.900 1.900 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.43291E-03 ppm1 1.010 ppm2 6.888 CV 1 OR { 3457} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 35 and name HZ )) ASSI { 3491} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 40 and name HE% ) 3.900 1.900 1.900 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.50733E-03 ppm1 1.262 ppm2 6.727 CV 1 ASSI { 3498} (( segid " " and resid 11 and name HG2 )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.56964E-03 ppm1 1.199 ppm2 7.221 CV 1 ASSI { 3510} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 65 and name HN )) 4.200 2.200 1.800 peak 3512 spectrum 1 weight 0.10000E+01 volume 0.42461E-03 ppm1 1.010 ppm2 8.304 CV 1 ASSI { 3512} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 78 and name HN )) 4.200 2.200 1.800 peak 3512 spectrum 1 weight 0.10000E+01 volume 0.42461E-03 ppm1 1.010 ppm2 8.304 CV 1 OR { 3512} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 78 and name HN )) ASSI { 3518} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 44 and name HN )) 5.100 3.200 0.900 peak 3518 spectrum 1 weight 0.10000E+01 volume 0.23037E-03 ppm1 1.007 ppm2 8.101 CV 1 ASSI { 3521} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HN )) 3.900 1.900 1.900 peak 3521 spectrum 1 weight 0.10000E+01 volume 0.10727E-02 ppm1 1.381 ppm2 8.238 CV 1 ASSI { 3523} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 79 and name HN )) 4.900 3.000 1.100 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.31111E-03 ppm1 1.273 ppm2 8.869 CV 1 ASSI { 3546} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 30 and name HE% )) 4.000 2.000 2.000 peak 3546 spectrum 1 weight 0.10000E+01 volume 0.67194E-03 ppm1 2.208 ppm2 7.202 CV 1 ASSI { 3547} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 35 and name HE% ) 3.600 1.600 1.600 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.41007E-03 ppm1 2.198 ppm2 6.953 CV 1 ASSI { 3549} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HE )) 4.700 2.700 1.300 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.46036E-03 ppm1 2.023 ppm2 7.524 CV 1 ASSI { 3552} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 21 and name HN )) 4.100 2.100 1.900 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.56493E-03 ppm1 2.412 ppm2 8.245 CV 1 OR { 3552} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 21 and name HN )) ASSI { 3554} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 69 and name HN )) 4.800 2.900 1.200 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.32976E-03 ppm1 2.548 ppm2 9.055 CV 1 ASSI { 3555} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 69 and name HN )) 4.400 2.400 1.600 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.33565E-03 ppm1 2.613 ppm2 9.053 CV 1 ASSI { 3566} (( segid " " and resid 10 and name HG )) ( segid " " and resid 30 and name HD% ) 4.500 2.500 1.500 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.59308E-03 ppm1 1.881 ppm2 7.333 CV 1 ASSI { 3567} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HN )) 3.700 1.700 1.700 peak 3567 spectrum 1 weight 0.10000E+01 volume 0.69445E-03 ppm1 2.217 ppm2 7.594 CV 1 ASSI { 3569} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HN )) 3.100 1.200 1.200 peak 3569 spectrum 1 weight 0.10000E+01 volume 0.15120E-02 ppm1 2.450 ppm2 8.455 CV 1 ASSI { 3586} (( segid " " and resid 55 and name HG1 )) ( segid " " and resid 56 and name HE% ) 4.700 2.800 1.300 peak 3586 spectrum 1 weight 0.10000E+01 volume 0.47399E-03 ppm1 1.345 ppm2 6.811 CV 1 ASSI { 3587} (( segid " " and resid 55 and name HG1 )) ( segid " " and resid 56 and name HD% ) 5.000 3.200 1.000 peak 3587 spectrum 1 weight 0.10000E+01 volume 0.43387E-03 ppm1 1.346 ppm2 7.425 CV 1 ASSI { 3594} (( segid " " and resid 82 and name HG )) (( segid " " and resid 79 and name HA )) 3.600 1.600 1.600 peak 3594 spectrum 1 weight 0.10000E+01 volume 0.51820E-03 ppm1 1.852 ppm2 4.901 CV 1 ASSI { 3596} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HN )) 3.700 1.700 1.700 peak 3596 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 2.024 ppm2 8.459 CV 1 ASSI { 3599} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HN )) 3.600 1.600 1.600 peak 3599 spectrum 1 weight 0.10000E+01 volume 0.86618E-03 ppm1 3.888 ppm2 7.642 CV 1 ASSI { 3600} (( segid " " and resid 7 and name HA )) (( segid " " and resid 9 and name HN )) 4.400 2.400 1.600 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.33560E-03 ppm1 3.867 ppm2 7.892 CV 1 ASSI { 3601} (( segid " " and resid 7 and name HA )) ( segid " " and resid 30 and name HZ ) 4.100 2.100 1.900 peak 3601 spectrum 1 weight 0.10000E+01 volume 0.79582E-03 ppm1 3.862 ppm2 7.327 CV 1 ASSI { 3602} (( segid " " and resid 7 and name HA )) ( segid " " and resid 30 and name HE% ) 4.400 2.400 1.600 peak 3602 spectrum 1 weight 0.10000E+01 volume 0.22682E-03 ppm1 3.864 ppm2 7.223 CV 1 ASSI { 3604} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HN )) 3.700 1.700 1.700 peak 3604 spectrum 1 weight 0.10000E+01 volume 0.56471E-03 ppm1 3.859 ppm2 8.241 CV 1 ASSI { 3606} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) 3.800 1.800 1.800 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.70721E-03 ppm1 3.940 ppm2 8.697 CV 1 ASSI { 3607} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) 3.700 1.700 1.700 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.43308E-03 ppm1 4.225 ppm2 9.016 CV 1 ASSI { 3615} (( segid " " and resid 42 and name HA )) (( segid " " and resid 46 and name HN )) 3.700 1.700 1.700 peak 3615 spectrum 1 weight 0.10000E+01 volume 0.82208E-03 ppm1 4.198 ppm2 8.234 CV 1 ASSI { 3619} (( segid " " and resid 35 and name HA )) (( segid " " and resid 40 and name HN )) 3.900 1.900 1.900 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.78946E-03 ppm1 4.379 ppm2 7.974 CV 1 ASSI { 3620} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HN )) 4.100 2.100 1.900 peak 3620 spectrum 1 weight 0.10000E+01 volume 0.43258E-03 ppm1 4.325 ppm2 7.812 CV 1 ASSI { 3626} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HN )) 5.000 3.100 1.000 peak 3626 spectrum 1 weight 0.10000E+01 volume 0.31892E-03 ppm1 3.211 ppm2 8.835 CV 1 ASSI { 3628} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HN )) 3.500 3.500 2.500 peak 3628 spectrum 1 weight 0.10000E+01 volume 0.15508E-03 ppm1 3.563 ppm2 8.233 CV 1 ASSI { 3630} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 33 and name HN )) 4.200 2.200 1.800 peak 3630 spectrum 1 weight 0.10000E+01 volume 0.50223E-03 ppm1 3.041 ppm2 7.209 CV 1 ASSI { 3631} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HE )) 3.500 1.600 1.600 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.59327E-03 ppm1 3.005 ppm2 7.188 CV 1 ASSI { 3634} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 70 and name HN )) 3.800 1.600 1.600 peak 3634 spectrum 1 weight 0.10000E+01 volume 0.59327E-03 ppm1 3.005 ppm2 7.188 CV 1 ASSI { 3638} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HN )) 5.200 3.400 0.800 peak 3638 spectrum 1 weight 0.10000E+01 volume 0.38846E-03 ppm1 3.364 ppm2 8.022 CV 1 ASSI { 3639} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name HE% ) 4.900 3.000 1.100 peak 3639 spectrum 1 weight 0.10000E+01 volume 0.38095E-03 ppm1 2.959 ppm2 6.742 CV 1 ASSI { 3652} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 29 and name HA )) 4.100 2.100 1.900 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.51869E-03 ppm1 3.883 ppm2 4.854 CV 1 ASSI { 3655} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HA )) 4.300 2.300 1.700 peak 3655 spectrum 1 weight 0.10000E+01 volume 0.56043E-03 ppm1 4.020 ppm2 4.907 CV 1 OR { 3655} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HA )) ASSI { 3658} (( segid " " and resid 42 and name HA )) ( segid " " and resid 45 and name HD1%) 3.800 1.800 1.800 peak 3658 spectrum 1 weight 0.10000E+01 volume 0.71001E-03 ppm1 4.202 ppm2 0.231 CV 1 ASSI { 3663} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HD2 )) 4.100 2.100 1.900 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.45173E-03 ppm1 3.942 ppm2 3.295 CV 1 ASSI { 3664} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HD1 )) 3.900 1.900 1.900 peak 3664 spectrum 1 weight 0.10000E+01 volume 0.36592E-03 ppm1 3.941 ppm2 3.423 CV 1 ASSI { 3665} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HA )) 4.200 2.200 1.800 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.64931E-03 ppm1 3.748 ppm2 4.639 CV 1 ASSI { 3666} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HA )) 4.500 2.500 1.500 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.62064E-03 ppm1 3.796 ppm2 4.643 CV 1 ASSI { 3667} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HN )) 3.000 1.100 1.100 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.36537E-02 ppm1 2.694 ppm2 7.893 CV 1 ASSI { 3685} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 79 and name HN )) 4.600 2.700 1.400 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.44461E-03 ppm1 1.731 ppm2 8.873 CV 1 ASSI { 3686} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 37 and name HN )) 5.000 3.100 1.000 peak 3686 spectrum 1 weight 0.10000E+01 volume 0.51563E-03 ppm1 1.514 ppm2 7.590 CV 1 ASSI { 3692} (( segid " " and resid 4 and name HG )) (( segid " " and resid 5 and name HN )) 5.000 3.100 1.000 peak 3692 spectrum 1 weight 0.10000E+01 volume 0.41264E-03 ppm1 1.704 ppm2 9.422 CV 1 ASSI { 3693} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 36 and name HN )) 4.500 2.600 1.500 peak 3693 spectrum 1 weight 0.10000E+01 volume 0.27493E-03 ppm1 1.831 ppm2 9.639 CV 1 ASSI { 3696} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HN )) 4.400 2.400 1.600 peak 3696 spectrum 1 weight 0.10000E+01 volume 0.71214E-03 ppm1 1.008 ppm2 7.825 CV 1 ASSI { 3702} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 19 and name HA2 )) 4.800 2.800 1.200 peak 3702 spectrum 1 weight 0.10000E+01 volume 0.37624E-03 ppm1 2.411 ppm2 4.055 CV 1 OR { 3702} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 19 and name HA1 )) OR { 3702} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 19 and name HA2 )) OR { 3702} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 19 and name HA1 )) ASSI { 3705} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 68 and name HA )) 5.200 3.400 0.800 peak 3705 spectrum 1 weight 0.10000E+01 volume 0.35373E-03 ppm1 2.854 ppm2 4.424 CV 1 ASSI { 3709} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 44 and name HA )) 3.500 1.600 1.600 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.67478E-03 ppm1 2.603 ppm2 4.301 CV 1 ASSI { 3711} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 52 and name HA )) 4.800 2.900 1.200 peak 3711 spectrum 1 weight 0.10000E+01 volume 0.22141E-03 ppm1 3.006 ppm2 4.317 CV 1 ASSI { 3718} (( segid " " and resid 62 and name HA )) (( segid " " and resid 65 and name HN )) 3.400 1.400 1.400 peak 3718 spectrum 1 weight 0.10000E+01 volume 0.10690E-02 ppm1 4.441 ppm2 8.182 CV 1 ASSI { 3723} (( segid " " and resid 81 and name HA )) (( segid " " and resid 83 and name HN )) 4.100 2.100 1.900 peak 3723 spectrum 1 weight 0.10000E+01 volume 0.52628E-03 ppm1 4.449 ppm2 7.957 CV 1 ASSI { 3724} (( segid " " and resid 84 and name HA )) (( segid " " and resid 83 and name HN )) 5.400 3.700 0.600 peak 3724 spectrum 1 weight 0.10000E+01 volume 0.32853E-03 ppm1 4.389 ppm2 7.957 CV 1 ASSI { 3728} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HN )) 4.000 2.000 2.000 peak 3728 spectrum 1 weight 0.10000E+01 volume 0.72565E-03 ppm1 4.445 ppm2 7.448 CV 1 ASSI { 3730} (( segid " " and resid 18 and name HA )) ( segid " " and resid 40 and name HE% ) 4.000 2.000 2.000 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.41746E-03 ppm1 4.359 ppm2 6.739 CV 1 ASSI { 3733} (( segid " " and resid 14 and name HA )) ( segid " " and resid 40 and name HE% ) 4.000 2.000 2.000 peak 3733 spectrum 1 weight 0.10000E+01 volume 0.61223E-03 ppm1 4.370 ppm2 6.751 CV 1 ASSI { 3739} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 56 and name HE% ) 4.700 2.800 1.300 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.53190E-03 ppm1 2.803 ppm2 6.813 CV 1 ASSI { 3744} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H28A ) 5.200 3.800 0.800 peak 3744 spectrum 1 weight 0.10000E+01 volume 0.53190E-03 ppm1 2.803 ppm2 6.813 CV 1 OR { 3744} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H28B ) ASSI { 3755} (( segid " " and resid 52 and name HA )) ( segid " " and resid 5 and name HD1%) 4.400 2.500 1.600 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.59152E-03 ppm1 4.314 ppm2 0.606 CV 1 OR { 3755} (( segid " " and resid 52 and name HA )) ( segid " " and resid 5 and name HD2%) ASSI { 3760} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HB1 )) 3.100 1.200 1.200 peak 3760 spectrum 1 weight 0.10000E+01 volume 0.12696E-02 ppm1 3.006 ppm2 1.872 CV 1 ASSI { 3761} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 38 and name HD1%) 2.900 2.900 3.100 peak 3761 spectrum 1 weight 0.10000E+01 volume 0.70286E-03 ppm1 2.918 ppm2 0.899 CV 1 ASSI { 3762} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HB2 )) 3.600 1.600 1.600 peak 3762 spectrum 1 weight 0.10000E+01 volume 0.54422E-03 ppm1 2.922 ppm2 2.037 CV 1 ASSI { 3767} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 7 and name HN )) 4.600 2.600 1.400 peak 3767 spectrum 1 weight 0.10000E+01 volume 0.69141E-03 ppm1 2.700 ppm2 8.826 CV 1 ASSI { 3774} (( segid " " and resid 11 and name HA )) (( segid " " and resid 15 and name HN )) 3.700 1.700 1.700 peak 3774 spectrum 1 weight 0.10000E+01 volume 0.52644E-03 ppm1 3.551 ppm2 8.467 CV 1 ASSI { 3776} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 26 and name HA )) 3.200 1.600 1.600 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.63066E-03 ppm1 3.306 ppm2 4.365 CV 1 ASSI { 3787} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 64 and name HN )) 5.300 3.600 0.700 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.49251E-03 ppm1 2.133 ppm2 7.444 CV 1 ASSI { 3788} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 64 and name HN )) 4.300 2.300 1.700 peak 3788 spectrum 1 weight 0.10000E+01 volume 0.56432E-03 ppm1 2.106 ppm2 7.445 CV 1 ASSI { 3789} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 40 and name HN )) 4.600 2.700 1.400 peak 3789 spectrum 1 weight 0.10000E+01 volume 0.59623E-03 ppm1 1.507 ppm2 7.985 CV 1 ASSI { 3796} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 56 and name HB2 )) 4.700 2.800 1.300 peak 3796 spectrum 1 weight 0.10000E+01 volume 0.29542E-03 ppm1 0.644 ppm2 2.787 CV 1 ASSI { 3797} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 56 and name HB2 )) 4.300 2.300 1.700 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.34228E-03 ppm1 0.608 ppm2 2.799 CV 1 ASSI { 3799} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HN )) 4.300 2.300 1.700 peak 3799 spectrum 1 weight 0.10000E+01 volume 0.58692E-03 ppm1 3.453 ppm2 7.947 CV 1 ASSI { 3800} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HN )) 3.300 1.400 1.400 peak 3800 spectrum 1 weight 0.10000E+01 volume 0.10792E-02 ppm1 4.219 ppm2 7.960 CV 1 ASSI { 3802} (( segid " " and resid 41 and name HB1 )) ( segid " " and resid 44 and name HB% ) 4.900 3.000 1.100 peak 3802 spectrum 1 weight 0.10000E+01 volume 0.46917E-03 ppm1 3.283 ppm2 1.518 CV 1 ASSI { 3805} (( segid " " and resid 41 and name HB2 )) ( segid " " and resid 44 and name HB% ) 3.600 1.600 1.600 peak 3805 spectrum 1 weight 0.10000E+01 volume 0.57939E-03 ppm1 2.860 ppm2 1.519 CV 1 ASSI { 3810} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 6 and name HG2%) 2.400 2.400 3.600 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.12852E-02 ppm1 2.708 ppm2 1.393 CV 1 ASSI { 3813} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 26 and name HD2%) 4.300 2.300 1.700 peak 3813 spectrum 1 weight 0.10000E+01 volume 0.36753E-03 ppm1 3.032 ppm2 0.792 CV 1 ASSI { 3814} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 14 and name HD2%) 4.100 2.100 1.900 peak 3814 spectrum 1 weight 0.10000E+01 volume 0.37315E-03 ppm1 3.028 ppm2 0.890 CV 1 ASSI { 3815} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 33 and name HD2%) 3.400 1.400 1.400 peak 3815 spectrum 1 weight 0.10000E+01 volume 0.14335E-02 ppm1 3.036 ppm2 1.052 CV 1 ASSI { 3816} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 5 and name HD1%) 4.100 2.100 1.900 peak 3816 spectrum 1 weight 0.10000E+01 volume 0.59993E-03 ppm1 3.452 ppm2 0.632 CV 1 OR { 3816} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 5 and name HD2%) ASSI { 3817} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 60 and name HD1%) 3.100 3.100 2.900 peak 3817 spectrum 1 weight 0.10000E+01 volume 0.53332E-03 ppm1 4.016 ppm2 0.838 CV 1 ASSI { 3820} (( segid " " and resid 49 and name HA )) ( segid " " and resid 13 and name HB% ) 4.200 2.300 1.800 peak 3820 spectrum 1 weight 0.10000E+01 volume 0.51228E-03 ppm1 3.921 ppm2 1.651 CV 1 ASSI { 3835} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 30 and name HE% ) 3.900 1.900 1.900 peak 3835 spectrum 1 weight 0.10000E+01 volume 0.41766E-03 ppm1 2.306 ppm2 7.215 CV 1 ASSI { 3842} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD1 )) 4.400 2.400 1.600 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.82803E-03 ppm1 4.093 ppm2 3.067 CV 1 ASSI { 3845} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HD1%) 4.800 2.900 1.200 peak 3845 spectrum 1 weight 0.10000E+01 volume 0.48503E-03 ppm1 3.562 ppm2 0.850 CV 1 ASSI { 3857} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 51 and name HD2 )) 3.900 1.900 1.900 peak 3857 spectrum 1 weight 0.10000E+01 volume 0.32264E-03 ppm1 2.259 ppm2 3.421 CV 1 ASSI { 3867} (( segid " " and resid 68 and name HG2% )) (( segid " " and resid 42 and name H10A )) 4.500 1.900 1.500 peak 3867 spectrum 1 weight 0.10000E+01 volume 0.32264E-03 ppm1 2.259 ppm2 3.421 CV 1 OR { 3867} (( segid " " and resid 68 and name HG2% )) (( segid " " and resid 42 and name H8A )) ASSI { 3870} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 35 and name HZ )) 5.800 4.200 0.200 peak 3870 spectrum 1 weight 0.10000E+01 volume 0.20415E-03 ppm1 2.013 ppm2 6.904 CV 1 ASSI { 3885} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 48 and name HA )) 4.100 2.100 1.900 peak 3885 spectrum 1 weight 0.10000E+01 volume 0.87702E-03 ppm1 2.021 ppm2 3.935 CV 1 ASSI { 3896} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HN )) 3.500 1.500 1.500 peak 3896 spectrum 1 weight 0.10000E+01 volume 0.79899E-03 ppm1 4.173 ppm2 7.819 CV 1 ASSI { 3897} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HD2 )) 4.100 2.100 1.900 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.48005E-03 ppm1 4.227 ppm2 2.923 CV 1 ASSI { 3898} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB2 )) 3.200 1.900 1.900 peak 3898 spectrum 1 weight 0.10000E+01 volume 0.20721E-02 ppm1 4.360 ppm2 3.039 CV 1 ASSI { 3899} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name H5A )) 4.000 2.000 2.000 peak 3899 spectrum 1 weight 0.10000E+01 volume 0.68996E-03 ppm1 4.193 ppm2 2.897 CV 1 OR { 3899} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name H5B )) ASSI { 3938} (( segid " " and resid 68 and name HB )) (( segid " " and resid 67 and name HN )) 5.700 4.100 0.300 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.30487E-03 ppm1 2.376 ppm2 7.647 CV 1 ASSI { 3940} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 79 and name HN )) 2.600 2.600 3.400 peak 3940 spectrum 1 weight 0.10000E+01 volume 0.77171E-03 ppm1 0.788 ppm2 8.875 CV 1 ASSI { 3942} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HB1 )) 3.200 1.300 1.300 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.81671E-03 ppm1 7.429 ppm2 1.881 CV 1 ASSI { 3943} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HN )) 2.800 1.000 1.000 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.19968E-02 ppm1 7.426 ppm2 8.064 CV 1 ASSI { 3956} (( segid " " and resid 58 and name HB )) (( segid " " and resid 53 and name HA )) 5.100 3.200 0.900 peak 3956 spectrum 1 weight 0.10000E+01 volume 0.54277E-03 ppm1 2.114 ppm2 4.117 CV 1 ASSI { 3957} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 52 and name HN )) 4.800 2.900 1.200 peak 3957 spectrum 1 weight 0.10000E+01 volume 0.20082E-03 ppm1 2.777 ppm2 8.480 CV 1 ASSI { 3958} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 60 and name HD1%) 3.700 1.700 1.700 peak 3958 spectrum 1 weight 0.10000E+01 volume 0.72222E-03 ppm1 2.356 ppm2 0.830 CV 1 ASSI { 3965} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 37 and name HA )) 4.500 2.500 1.500 peak 3965 spectrum 1 weight 0.10000E+01 volume 0.34559E-03 ppm1 2.506 ppm2 4.808 CV 1 OR { 3965} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 37 and name HA )) ASSI { 3968} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HB1 )) 2.200 0.600 0.600 peak 3968 spectrum 1 weight 0.10000E+01 volume 0.13207E-01 ppm1 2.411 ppm2 2.232 CV 1 OR { 3968} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HB1 )) ASSI { 3994} (( segid " " and resid 10 and name HA )) (( segid " " and resid 14 and name HN )) 3.700 1.800 1.800 peak 3994 spectrum 1 weight 0.10000E+01 volume 0.65484E-03 ppm1 4.206 ppm2 8.385 CV 1 ASSI { 4000} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 67 and name HN )) 4.600 2.600 1.400 peak 4000 spectrum 1 weight 0.10000E+01 volume 0.34787E-03 ppm1 1.338 ppm2 7.671 CV 1 ASSI { 4001} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 35 and name HD% ) 4.900 3.000 1.100 peak 4001 spectrum 1 weight 0.10000E+01 volume 0.60113E-03 ppm1 1.048 ppm2 7.199 CV 1 ASSI { 4011} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 47 and name HB1 )) 4.500 2.500 1.500 peak 4011 spectrum 1 weight 0.10000E+01 volume 0.56501E-03 ppm1 1.519 ppm2 2.337 CV 1 ASSI { 4015} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HG2 )) 3.800 1.800 1.800 peak 4015 spectrum 1 weight 0.10000E+01 volume 0.35767E-03 ppm1 1.340 ppm2 2.673 CV 1 ASSI { 4034} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HB )) 2.200 0.600 0.600 peak 4034 spectrum 1 weight 0.10000E+01 volume 0.11257E-01 ppm1 1.032 ppm2 2.263 CV 1 ASSI { 4050} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HB1 )) 4.600 2.700 1.400 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.29884E-03 ppm1 3.063 ppm2 2.193 CV 1 ASSI { 4056} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 35 and name HZ )) 5.600 3.900 0.400 peak 4056 spectrum 1 weight 0.10000E+01 volume 0.20227E-03 ppm1 1.039 ppm2 6.867 CV 1 ASSI { 4057} ( segid " " and resid 70 and name HG2%) ( segid " " and resid 35 and name HE% ) 5.000 3.100 1.000 peak 4057 spectrum 1 weight 0.10000E+01 volume 0.27231E-03 ppm1 1.032 ppm2 6.961 CV 1 ASSI { 4063} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 45 and name HB1 ) 2.800 1.100 1.000 peak 4063 spectrum 1 weight 0.10000E+01 volume 0.27231E-03 ppm1 1.032 ppm2 6.961 CV 1 ASSI { 4064} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 45 and name HB1 ) 2.800 1.100 1.000 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.27231E-03 ppm1 1.032 ppm2 6.961 CV 1 ASSI { 4070} ( segid " " and resid 74 and name HG) (( segid " " and resid 74 and name HA )) 2.800 2.000 2.000 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.11561E-02 ppm1 0.932 ppm2 4.241 CV 1 ASSI { 4073} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HA )) 3.400 1.500 1.500 peak 4073 spectrum 1 weight 0.10000E+01 volume 0.86393E-03 ppm1 0.800 ppm2 3.916 CV 1 ASSI { 4074} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 56 and name HB1 )) 3.400 1.500 1.500 peak 4074 spectrum 1 weight 0.10000E+01 volume 0.55049E-03 ppm1 0.983 ppm2 3.457 CV 1 ASSI { 4079} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 38 and name HB )) 4.700 2.700 1.300 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.28381E-03 ppm1 0.802 ppm2 2.405 CV 1 ASSI { 4081} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 43 and name HN )) 4.100 2.100 1.900 peak 4081 spectrum 1 weight 0.10000E+01 volume 0.10538E-02 ppm1 1.524 ppm2 7.822 CV 1 ASSI { 4082} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 46 and name HN )) 4.000 2.000 2.000 peak 4082 spectrum 1 weight 0.10000E+01 volume 0.13121E-02 ppm1 1.523 ppm2 8.227 CV 1 ASSI { 4107} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HA )) 4.300 2.300 1.700 peak 4107 spectrum 1 weight 0.10000E+01 volume 0.33626E-03 ppm1 2.147 ppm2 4.487 CV 1 ASSI { 4112} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HA )) 4.700 2.800 1.300 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.34425E-03 ppm1 1.123 ppm2 4.595 CV 1 ASSI { 4119} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 6 and name HB )) 5.000 3.100 1.000 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.46693E-03 ppm1 1.383 ppm2 4.851 CV 1 ASSI { 4122} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HN )) 3.700 1.700 1.700 peak 4122 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 0.985 ppm2 8.275 CV 1 ASSI { 4124} ( segid " " and resid 82 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.400 1.400 1.400 peak 4124 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 0.987 ppm2 7.435 CV 1 ASSI { 4132} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HG )) 2.300 0.700 0.700 peak 4132 spectrum 1 weight 0.10000E+01 volume 0.59914E-02 ppm1 0.987 ppm2 1.856 CV 1 ASSI { 4133} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HB2 )) 2.400 0.700 0.700 peak 4133 spectrum 1 weight 0.10000E+01 volume 0.56871E-02 ppm1 0.986 ppm2 1.560 CV 1 ASSI { 4135} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HD22)) 4.000 2.000 2.000 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.52658E-03 ppm1 0.884 ppm2 7.646 CV 1 ASSI { 4148} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HN )) 5.500 3.800 0.500 peak 4148 spectrum 1 weight 0.10000E+01 volume 0.23492E-03 ppm1 3.302 ppm2 8.043 CV 1 ASSI { 4153} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 71 and name HA )) 4.300 2.300 1.700 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.43620E-03 ppm1 0.793 ppm2 4.224 CV 1 ASSI { 4160} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HB1 )) 3.500 1.500 1.500 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.77344E-03 ppm1 1.060 ppm2 2.297 CV 1 ASSI { 4169} (( segid " " and resid 45 and name HG )) (( segid " " and resid 46 and name HN )) 4.800 2.900 1.200 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.49733E-03 ppm1 1.390 ppm2 8.245 CV 1 ASSI { 4170} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HD% ) 3.100 1.200 1.200 peak 4170 spectrum 1 weight 0.10000E+01 volume 0.87845E-03 ppm1 1.368 ppm2 7.313 CV 1 ASSI { 4180} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 70 and name HA )) 5.400 3.700 0.600 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.40829E-03 ppm1 1.385 ppm2 4.908 CV 1 ASSI { 4183} (( segid " " and resid 14 and name HG )) (( segid " " and resid 15 and name HN )) 4.300 2.300 1.700 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.26771E-03 ppm1 1.852 ppm2 8.470 CV 1 ASSI { 4189} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 30 and name HE% )) 3.300 1.400 1.400 peak 4189 spectrum 1 weight 0.10000E+01 volume 0.88404E-03 ppm1 1.388 ppm2 7.200 CV 1 ASSI { 4191} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HA )) 4.500 2.500 1.500 peak 4191 spectrum 1 weight 0.10000E+01 volume 0.28597E-03 ppm1 3.870 ppm2 4.603 CV 1 ASSI { 4193} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HN )) 4.600 2.700 1.400 peak 4193 spectrum 1 weight 0.10000E+01 volume 0.37983E-03 ppm1 1.413 ppm2 8.820 CV 1 ASSI { 4197} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HE )) 3.900 1.900 1.900 peak 4197 spectrum 1 weight 0.10000E+01 volume 0.46129E-03 ppm1 1.701 ppm2 7.522 CV 1 ASSI { 4199} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 31 and name HD2%) 4.900 3.000 1.100 peak 4199 spectrum 1 weight 0.10000E+01 volume 0.52428E-03 ppm1 1.867 ppm2 0.792 CV 1 ASSI { 4200} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 52 and name HA )) 4.100 2.100 1.900 peak 4200 spectrum 1 weight 0.10000E+01 volume 0.64318E-03 ppm1 1.577 ppm2 4.318 CV 1 ASSI { 4201} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 13 and name HA )) 4.100 2.100 1.900 peak 4201 spectrum 1 weight 0.10000E+01 volume 0.56506E-03 ppm1 2.027 ppm2 4.357 CV 1 ASSI { 4202} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HA )) 2.800 1.700 1.700 peak 4202 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 2.024 ppm2 8.459 CV 1 ASSI { 4203} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 48 and name HA )) 3.500 1.700 1.700 peak 4202 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 2.024 ppm2 8.459 CV 1 ASSI { 4204} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HD1 )) 3.300 3.300 2.700 peak 4204 spectrum 1 weight 0.10000E+01 volume 0.23226E-02 ppm1 2.023 ppm2 8.145 CV 1 ASSI { 4208} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 31 and name HB1 )) 4.500 2.500 1.500 peak 4208 spectrum 1 weight 0.10000E+01 volume 0.27901E-03 ppm1 2.025 ppm2 1.629 CV 1 ASSI { 4216} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HN )) 4.500 2.600 1.500 peak 4216 spectrum 1 weight 0.10000E+01 volume 0.24663E-03 ppm1 1.451 ppm2 8.889 CV 1 ASSI { 4234} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 49 and name HA )) 3.400 1.500 1.500 peak 4234 spectrum 1 weight 0.10000E+01 volume 0.74761E-03 ppm1 1.441 ppm2 3.919 CV 1 ASSI { 4243} (( segid " " and resid 74 and name HD2% )) (( segid " " and resid 49 and name HA )) 3.400 1.500 1.500 peak 4234 spectrum 1 weight 0.10000E+01 volume 0.74761E-03 ppm1 1.441 ppm2 3.919 CV 1 ASSI { 4249} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 3.000 1.100 1.100 peak 4249 spectrum 1 weight 0.10000E+01 volume 0.16244E-02 ppm1 4.373 ppm2 8.366 CV 1 ASSI { 4251} (( segid " " and resid 35 and name HA )) (( segid " " and resid 40 and name HB1 )) 4.800 2.900 1.200 peak 4251 spectrum 1 weight 0.10000E+01 volume 0.92328E-03 ppm1 4.370 ppm2 2.960 CV 1 ASSI { 4253} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG12)) 3.400 1.400 1.400 peak 4253 spectrum 1 weight 0.10000E+01 volume 0.34842E-02 ppm1 4.368 ppm2 1.517 CV 1 ASSI { 4255} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 31 and name HB2 )) 4.200 2.200 1.800 peak 4255 spectrum 1 weight 0.10000E+01 volume 0.32108E-03 ppm1 3.479 ppm2 1.027 CV 1 ASSI { 4257} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 77 and name HN )) 5.300 3.600 0.700 peak 4257 spectrum 1 weight 0.10000E+01 volume 0.17140E-03 ppm1 1.008 ppm2 7.990 CV 1 OR { 4257} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 77 and name HN )) ASSI { 4258} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 42 and name H8A )) 3.000 3.000 3.000 peak 4258 spectrum 1 weight 0.10000E+01 volume 0.39273E-03 ppm1 1.010 ppm2 7.266 CV 1 OR { 4258} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 42 and name H8A )) OR { 4258} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 42 and name H10A)) ASSI { 4262} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG2 )) 3.000 1.100 1.100 peak 4262 spectrum 1 weight 0.10000E+01 volume 0.32311E-02 ppm1 3.007 ppm2 0.985 CV 1 ASSI { 4267} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 31 and name HD1%) 4.600 2.700 1.400 peak 4267 spectrum 1 weight 0.10000E+01 volume 0.26293E-03 ppm1 2.316 ppm2 0.458 CV 1 ASSI { 4307} (( segid " " and resid 55 and name HG2 )) ( segid " " and resid 56 and name HD% ) 4.400 2.400 1.600 peak 4307 spectrum 1 weight 0.10000E+01 volume 0.38312E-03 ppm1 0.985 ppm2 7.434 CV 1 ASSI { 4309} (( segid " " and resid 55 and name HG2 )) ( segid " " and resid 56 and name HE% ) 4.100 2.100 1.900 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.60264E-03 ppm1 0.979 ppm2 6.815 CV 1 ASSI { 4315} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 36 and name HG1 )) 4.500 2.600 1.500 peak 4315 spectrum 1 weight 0.10000E+01 volume 0.43491E-03 ppm1 1.836 ppm2 2.509 CV 1 OR { 4315} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 36 and name HG2 )) ASSI { 4317} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 36 and name HN )) 3.400 1.500 1.500 peak 4317 spectrum 1 weight 0.10000E+01 volume 0.65276E-03 ppm1 2.191 ppm2 9.630 CV 1 ASSI { 4318} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HN )) 3.000 1.100 1.100 peak 4318 spectrum 1 weight 0.10000E+01 volume 0.21959E-02 ppm1 2.233 ppm2 8.466 CV 1 ASSI { 4319} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) 3.200 1.200 1.200 peak 4319 spectrum 1 weight 0.10000E+01 volume 0.20142E-02 ppm1 2.193 ppm2 8.435 CV 1 ASSI { 4326} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H30%) 3.200 3.200 2.800 peak 4326 spectrum 1 weight 0.10000E+01 volume 0.27355E-03 ppm1 2.769 ppm2 0.958 CV 1 ASSI { 4330} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HB2 )) 4.000 2.000 2.000 peak 4330 spectrum 1 weight 0.10000E+01 volume 0.82877E-03 ppm1 4.041 ppm2 2.032 CV 1 ASSI { 4331} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 31 and name HA )) 4.500 2.600 1.500 peak 4331 spectrum 1 weight 0.10000E+01 volume 0.60500E-03 ppm1 4.043 ppm2 3.323 CV 1 ASSI { 4337} (( segid " " and resid 84 and name HA )) ( segid " " and resid 83 and name HB% ) 3.800 1.800 1.800 peak 4337 spectrum 1 weight 0.10000E+01 volume 0.97762E-03 ppm1 4.391 ppm2 1.597 CV 1 ASSI { 4339} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HN )) 3.200 1.300 1.300 peak 4339 spectrum 1 weight 0.10000E+01 volume 0.13165E-02 ppm1 3.919 ppm2 8.458 CV 1 ASSI { 4341} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HN )) 5.300 3.500 0.700 peak 4341 spectrum 1 weight 0.10000E+01 volume 0.24763E-03 ppm1 3.922 ppm2 8.294 CV 1 ASSI { 4344} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HN )) 4.300 2.300 1.700 peak 4344 spectrum 1 weight 0.10000E+01 volume 0.33834E-03 ppm1 3.876 ppm2 7.962 CV 1 ASSI { 4345} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HN )) 5.000 3.100 1.000 peak 4345 spectrum 1 weight 0.10000E+01 volume 0.32404E-03 ppm1 3.876 ppm2 8.122 CV 1 ASSI { 4348} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.600 0.900 0.900 peak 4348 spectrum 1 weight 0.10000E+01 volume 0.66566E-02 ppm1 4.198 ppm2 2.134 CV 1 ASSI { 4349} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD2 )) 4.400 2.400 1.600 peak 4349 spectrum 1 weight 0.10000E+01 volume 0.90858E-03 ppm1 4.089 ppm2 3.013 CV 1 ASSI { 4350} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HN )) 3.200 1.300 1.300 peak 4350 spectrum 1 weight 0.10000E+01 volume 0.14937E-02 ppm1 4.237 ppm2 8.662 CV 1 ASSI { 4352} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 64 and name HB )) 2.500 2.500 3.500 peak 4352 spectrum 1 weight 0.10000E+01 volume 0.98675E-03 ppm1 1.339 ppm2 2.166 CV 1 ASSI { 4357} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 5 and name HD1%) 4.200 2.200 1.800 peak 4357 spectrum 1 weight 0.10000E+01 volume 0.34587E-03 ppm1 2.809 ppm2 0.628 CV 1 OR { 4357} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 5 and name HD2%) ASSI { 4358} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 45 and name HG )) 3.300 1.400 1.400 peak 4358 spectrum 1 weight 0.10000E+01 volume 0.52401E-03 ppm1 2.959 ppm2 1.391 CV 1 ASSI { 4359} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 38 and name HD1%) 5.300 3.500 0.700 peak 4359 spectrum 1 weight 0.10000E+01 volume 0.41349E-03 ppm1 2.954 ppm2 0.897 CV 1 ASSI { 4365} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HG11)) 4.900 3.000 1.100 peak 4365 spectrum 1 weight 0.10000E+01 volume 0.45742E-03 ppm1 2.964 ppm2 1.827 CV 1 ASSI { 4316} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HD2 )) 3.700 1.700 1.700 peak 4316 spectrum 1 weight 0.10000E+01 volume 0.10255E-02 ppm1 1.843 ppm2 3.024 CV 1 ASSI { 4371} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 2 and name HA )) 2.600 0.800 0.800 peak 4371 spectrum 1 weight 0.10000E+01 volume 0.52760E-02 ppm1 1.645 ppm2 4.277 CV 1 ASSI { 4410} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 75 and name HA )) 4.900 3.000 1.100 peak 4410 spectrum 1 weight 0.10000E+01 volume 0.30325E-03 ppm1 1.261 ppm2 3.880 CV 1 ASSI { 4416} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 49 and name HB%)) 4.200 2.200 1.800 peak 4416 spectrum 1 weight 0.10000E+01 volume 0.26002E-03 ppm1 2.464 ppm2 1.466 CV 1 ASSI { 4418} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 78 and name HD1%) 4.200 2.300 1.800 peak 4418 spectrum 1 weight 0.10000E+01 volume 0.26427E-03 ppm1 2.474 ppm2 0.810 CV 1 ASSI { 4419} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 58 and name HG1%) 4.100 2.100 1.900 peak 4419 spectrum 1 weight 0.10000E+01 volume 0.79215E-03 ppm1 2.360 ppm2 0.937 CV 1 ASSI { 4421} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 78 and name HD1%) 4.800 2.900 1.200 peak 4421 spectrum 1 weight 0.10000E+01 volume 0.42763E-03 ppm1 2.359 ppm2 0.817 CV 1 ASSI { 4426} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 68 and name HG1%) 3.000 1.100 1.100 peak 4426 spectrum 1 weight 0.10000E+01 volume 0.22199E-02 ppm1 2.266 ppm2 1.129 CV 1 ASSI { 4430} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HG1 )) 3.300 3.300 2.700 peak 4430 spectrum 1 weight 0.10000E+01 volume 0.23226E-02 ppm1 2.023 ppm2 8.145 CV 1 ASSI { 4432} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.500 1.600 1.600 peak 4432 spectrum 1 weight 0.10000E+01 volume 0.89510E-03 ppm1 1.835 ppm2 7.590 CV 1 ASSI { 4441} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 31 and name HA )) 3.600 1.600 1.600 peak 4441 spectrum 1 weight 0.10000E+01 volume 0.39605E-03 ppm1 2.923 ppm2 3.314 CV 1 ASSI { 4461} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HN )) 3.800 1.800 1.800 peak 4461 spectrum 1 weight 0.10000E+01 volume 0.21084E-02 ppm1 3.084 ppm2 8.872 CV 1 ASSI { 4463} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HN )) 2.700 0.900 0.900 peak 4463 spectrum 1 weight 0.10000E+01 volume 0.17339E-02 ppm1 2.770 ppm2 8.872 CV 1 ASSI { 4664} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HN )) 2.600 0.800 0.800 peak 4664 spectrum 1 weight 0.10000E+01 volume 0.35261E-02 ppm1 7.306 ppm2 8.049 CV 1 ASSI { 4480} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HN )) 4.800 2.900 1.200 peak 4480 spectrum 1 weight 0.10000E+01 volume 0.25142E-03 ppm1 0.871 ppm2 8.404 CV 1 ASSI { 4489} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HA2 )) 5.000 3.100 1.000 peak 4489 spectrum 1 weight 0.10000E+01 volume 0.25777E-03 ppm1 0.864 ppm2 4.008 CV 1 OR { 4489} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HA1 )) ASSI { 4490} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 62 and name HA )) 5.100 3.200 0.900 peak 4490 spectrum 1 weight 0.10000E+01 volume 0.19512E-03 ppm1 0.987 ppm2 4.461 CV 1 ASSI { 4491} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H5A )) 4.300 2.300 1.700 peak 4491 spectrum 1 weight 0.10000E+01 volume 0.46441E-03 ppm1 0.987 ppm2 2.896 CV 1 OR { 4491} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H5B )) ASSI { 4493} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 75 and name HG )) 4.000 2.000 2.000 peak 4493 spectrum 1 weight 0.10000E+01 volume 0.30435E-03 ppm1 2.774 ppm2 1.704 CV 1 ASSI { 4499} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 75 and name HG )) 4.800 2.800 1.200 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.28463E-03 ppm1 3.084 ppm2 1.688 CV 1 ASSI { 4500} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 78 and name HB )) 6.000 4.500 0.000 peak 4500 spectrum 1 weight 0.10000E+01 volume 0.26857E-03 ppm1 3.078 ppm2 1.926 CV 1 ASSI { 4506} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD2%) 3.500 1.500 1.500 peak 4506 spectrum 1 weight 0.10000E+01 volume 0.13651E-02 ppm1 4.372 ppm2 0.876 CV 1 ASSI { 4508} (( segid " " and resid 14 and name HA )) ( segid " " and resid 13 and name HB% ) 4.200 2.300 1.800 peak 4508 spectrum 1 weight 0.10000E+01 volume 0.46216E-03 ppm1 4.368 ppm2 1.656 CV 1 ASSI { 4514} (( segid " " and resid 10 and name HA )) (( segid " " and resid 9 and name HN )) 4.900 3.000 1.100 peak 4514 spectrum 1 weight 0.10000E+01 volume 0.43056E-03 ppm1 4.203 ppm2 7.899 CV 1 ASSI { 4540} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 6 and name HB )) 4.300 2.300 1.700 peak 4540 spectrum 1 weight 0.10000E+01 volume 0.69722E-03 ppm1 2.702 ppm2 4.848 CV 1 OR { 4540} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 6 and name HB )) ASSI { 4552} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 13 and name HN )) 4.000 2.000 2.000 peak 4552 spectrum 1 weight 0.10000E+01 volume 0.37452E-03 ppm1 1.674 ppm2 7.718 CV 1 ASSI { 4557} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HG2 )) 1.700 0.400 0.500 peak 4557 spectrum 1 weight 0.10000E+01 volume 0.14321E-01 ppm1 1.915 ppm2 1.681 CV 1 ASSI { 4559} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HB2 )) 1.800 0.400 0.400 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.12804E-01 ppm1 2.470 ppm2 2.356 CV 1 OR { 4559} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG2 )) ASSI { 4560} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HB2 )) 1.700 0.400 0.500 peak 4560 spectrum 1 weight 0.10000E+01 volume 0.14431E-01 ppm1 2.328 ppm2 2.193 CV 1 ASSI { 4566} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 4566 spectrum 1 weight 0.10000E+01 volume 0.19535E-02 ppm1 2.771 ppm2 4.901 CV 1 ASSI { 4571} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HN )) 4.400 2.400 1.600 peak 4571 spectrum 1 weight 0.10000E+01 volume 0.39711E-03 ppm1 0.988 ppm2 7.445 CV 1 ASSI { 4575} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HN )) 3.600 1.600 1.600 peak 4575 spectrum 1 weight 0.10000E+01 volume 0.82803E-03 ppm1 4.191 ppm2 8.303 CV 1 ASSI { 4579} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HB1 )) 4.800 2.900 1.200 peak 4579 spectrum 1 weight 0.10000E+01 volume 0.74747E-03 ppm1 0.932 ppm2 2.450 CV 1 ASSI { 4581} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HA )) 5.200 3.400 0.800 peak 4581 spectrum 1 weight 0.10000E+01 volume 0.36803E-03 ppm1 0.930 ppm2 4.800 CV 1 ASSI { 4591} ( segid " " and resid 46 and name HG1) (( segid " " and resid 42 and name H28A )) 5.200 3.400 0.800 peak 4591 spectrum 1 weight 0.10000E+01 volume 0.36803E-03 ppm1 0.930 ppm2 4.800 CV 1 OR { 4591} ( segid " " and resid 46 and name HG1) (( segid " " and resid 42 and name H28B )) ASSI { 4582} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 82 and name HA )) 3.100 1.200 1.200 peak 4582 spectrum 1 weight 0.10000E+01 volume 0.30629E-02 ppm1 1.566 ppm2 4.224 CV 1 ASSI { 4597} (( segid " " and resid 7 and name HA )) ( segid " " and resid 10 and name HD2%) 3.600 1.600 1.600 peak 4597 spectrum 1 weight 0.10000E+01 volume 0.96262E-03 ppm1 3.861 ppm2 1.120 CV 1 ASSI { 4601} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 52 and name HA )) 3.300 1.400 1.400 peak 4601 spectrum 1 weight 0.10000E+01 volume 0.13393E-02 ppm1 6.810 ppm2 4.311 CV 1 ASSI { 4604} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HA )) 3.500 1.500 1.500 peak 4604 spectrum 1 weight 0.10000E+01 volume 0.19943E-02 ppm1 0.884 ppm2 4.902 CV 1 ASSI { 4606} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HB2 )) 5.200 3.400 0.800 peak 4606 spectrum 1 weight 0.10000E+01 volume 0.33319E-03 ppm1 3.554 ppm2 1.572 CV 1 ASSI { 4613} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB1 )) 2.700 0.900 0.900 peak 4613 spectrum 1 weight 0.10000E+01 volume 0.34231E-02 ppm1 0.475 ppm2 1.626 CV 1 ASSI { 4618} (( segid " " and resid 30 and name HD% )) (( segid " " and resid 31 and name HD1% )) 4.500 2.100 1.500 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.51869E-03 ppm1 3.883 ppm2 4.854 CV 1 ASSI { 4620} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HD% ) 2.800 1.000 1.000 peak 4620 spectrum 1 weight 0.10000E+01 volume 0.11045E-02 ppm1 2.256 ppm2 7.312 CV 1 ASSI { 4622} (( segid " " and resid 82 and name HG )) ( segid " " and resid 82 and name HD2%) 2.200 0.600 0.600 peak 4622 spectrum 1 weight 0.10000E+01 volume 0.87437E-02 ppm1 1.858 ppm2 0.983 CV 1 OR { 4622} (( segid " " and resid 82 and name HG )) ( segid " " and resid 82 and name HD1%) ASSI { 4629} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HD1 )) 4.700 2.800 1.300 peak 4629 spectrum 1 weight 0.10000E+01 volume 0.35592E-03 ppm1 0.785 ppm2 3.489 CV 1 ASSI { 4639} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HA )) 3.900 1.900 1.900 peak 4639 spectrum 1 weight 0.10000E+01 volume 0.72649E-03 ppm1 1.830 ppm2 4.579 CV 1 ASSI { 4641} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG2 )) 2.600 0.800 0.800 peak 4641 spectrum 1 weight 0.10000E+01 volume 0.58503E-02 ppm1 4.199 ppm2 2.392 CV 1 ASSI { 4648} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 35 and name HZ )) 3.800 1.800 1.800 peak 4648 spectrum 1 weight 0.10000E+01 volume 0.75238E-03 ppm1 2.405 ppm2 6.888 CV 1 ASSI { 4666} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB1 )) 2.600 0.800 0.800 peak 4666 spectrum 1 weight 0.10000E+01 volume 0.22434E-02 ppm1 3.863 ppm2 2.318 CV 1 ASSI { 4673} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HN )) 3.600 1.600 1.600 peak 4673 spectrum 1 weight 0.10000E+01 volume 0.13143E-02 ppm1 1.122 ppm2 7.648 CV 1 ASSI { 4698} ( segid " " and resid 65 and name HB%) (( segid " " and resid 42 and name H5A )) 3.600 1.600 1.600 peak 4673 spectrum 1 weight 0.10000E+01 volume 0.13143E-02 ppm1 1.122 ppm2 7.648 CV 1 OR { 4698} ( segid " " and resid 65 and name HB%) (( segid " " and resid 42 and name H5B )) ASSI { 4707} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 14 and name HD2%) 2.600 0.900 0.900 peak 4707 spectrum 1 weight 0.10000E+01 volume 0.28216E-02 ppm1 1.979 ppm2 0.882 CV 1 ASSI { 4710} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 50 and name HB% ) 5.200 3.400 0.800 peak 4710 spectrum 1 weight 0.10000E+01 volume 0.36671E-03 ppm1 2.351 ppm2 1.642 CV 1 ASSI { 4712} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 50 and name HB% ) 5.500 3.800 0.500 peak 4712 spectrum 1 weight 0.10000E+01 volume 0.21502E-03 ppm1 2.747 ppm2 1.628 CV 1 ASSI { 4714} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 79 and name HD21 ) 5.500 3.800 0.500 peak 4712 spectrum 1 weight 0.10000E+01 volume 0.21502E-03 ppm1 2.747 ppm2 1.628 CV 1 ASSI { 4721} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.200 0.600 0.600 peak 4721 spectrum 1 weight 0.10000E+01 volume 0.55288E-02 ppm1 4.223 ppm2 2.252 CV 1 OR { 4721} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG1 )) ASSI { 4724} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 56 and name HE% ) 3.900 1.900 1.900 peak 4724 spectrum 1 weight 0.10000E+01 volume 0.43475E-03 ppm1 1.875 ppm2 6.808 CV 1 ASSI { 4725} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 45 and name HD2%) 4.900 3.000 1.100 peak 4725 spectrum 1 weight 0.10000E+01 volume 0.37712E-03 ppm1 2.960 ppm2 0.349 CV 1 ASSI { 4728} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 45 and name HD1%) 3.600 1.600 1.600 peak 4728 spectrum 1 weight 0.10000E+01 volume 0.76867E-03 ppm1 2.964 ppm2 0.223 CV 1 ASSI { 4733} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 14 and name HD1%) 3.400 1.400 1.400 peak 4733 spectrum 1 weight 0.10000E+01 volume 0.98253E-03 ppm1 6.963 ppm2 0.734 CV 1 ASSI { 4743} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HB1 )) 4.600 2.700 1.400 peak 4743 spectrum 1 weight 0.10000E+01 volume 0.64192E-03 ppm1 7.221 ppm2 3.309 CV 1 ASSI { 4744} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 11 and name HA )) 3.500 1.500 1.500 peak 4744 spectrum 1 weight 0.10000E+01 volume 0.66654E-03 ppm1 1.424 ppm2 3.545 CV 1 ASSI { 4750} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HG )) 2.900 1.100 1.100 peak 4750 spectrum 1 weight 0.10000E+01 volume 0.23408E-02 ppm1 1.978 ppm2 1.844 CV 1 ASSI { 4768} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) 3.200 1.300 1.300 peak 4768 spectrum 1 weight 0.10000E+01 volume 0.12141E-02 ppm1 1.036 ppm2 3.324 CV 1 ASSI { 4774} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HA )) 2.800 1.000 1.000 peak 4774 spectrum 1 weight 0.10000E+01 volume 0.19328E-02 ppm1 1.784 ppm2 4.337 CV 1 ASSI { 4775} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HA )) 2.900 1.000 1.000 peak 4775 spectrum 1 weight 0.10000E+01 volume 0.26293E-02 ppm1 2.360 ppm2 5.048 CV 1 ASSI { 4788} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 42 and name HN )) 2.300 0.800 0.800 peak 4789 spectrum 1 weight 0.10000E+01 volume 0.51368E-03 ppm1 3.284 ppm2 4.193 CV 1 ASSI { 4790} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HN )) 2.800 1.000 1.000 peak 4790 spectrum 1 weight 0.10000E+01 volume 0.18688E-02 ppm1 2.856 ppm2 8.033 CV 1 ASSI { 4797} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 3.100 1.200 1.200 peak 4797 spectrum 1 weight 0.10000E+01 volume 0.32946E-02 ppm1 3.552 ppm2 1.199 CV 1 ASSI { 4798} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HN )) 5.700 4.100 0.300 peak 4798 spectrum 1 weight 0.10000E+01 volume 0.16250E-03 ppm1 3.881 ppm2 7.779 CV 1 ASSI { 4800} (( segid " " and resid 75 and name HA )) (( segid " " and resid 79 and name HD22)) 5.000 3.200 1.000 peak 4800 spectrum 1 weight 0.10000E+01 volume 0.18491E-03 ppm1 3.878 ppm2 7.681 CV 1 ASSI { 4812} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 44 and name HN )) 5.100 3.300 0.900 peak 4812 spectrum 1 weight 0.10000E+01 volume 0.29410E-03 ppm1 1.061 ppm2 8.133 CV 1 ASSI { 4828} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 47 and name HG1 )) 3.800 1.800 1.800 peak 4828 spectrum 1 weight 0.10000E+01 volume 0.76084E-03 ppm1 1.059 ppm2 2.607 CV 1 ASSI { 4842} (( segid " " and resid 78 and name HB )) ( segid " " and resid 5 and name HD1%) 3.500 1.500 1.500 peak 4842 spectrum 1 weight 0.10000E+01 volume 0.10740E-02 ppm1 1.930 ppm2 0.606 CV 1 OR { 4842} (( segid " " and resid 78 and name HB )) ( segid " " and resid 5 and name HD2%) ASSI { 4847} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 56 and name HE% ) 4.300 2.400 1.700 peak 4847 spectrum 1 weight 0.10000E+01 volume 0.48805E-03 ppm1 2.679 ppm2 6.809 CV 1 ASSI { 4850} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HB1 )) 1.800 0.400 0.400 peak 4850 spectrum 1 weight 0.10000E+01 volume 0.13989E-01 ppm1 2.679 ppm2 3.030 CV 1 ASSI { 4852} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 5 and name HD2%) 3.000 1.100 1.100 peak 4852 spectrum 1 weight 0.10000E+01 volume 0.22404E-02 ppm1 2.680 ppm2 0.631 CV 1 OR { 4852} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 5 and name HD1%) ASSI { 4853} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 5 and name HD2%) 3.300 1.400 1.400 peak 4853 spectrum 1 weight 0.10000E+01 volume 0.19108E-02 ppm1 3.030 ppm2 0.632 CV 1 OR { 4853} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 5 and name HD1%) ASSI { 4857} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 3.100 1.200 1.200 peak 4857 spectrum 1 weight 0.10000E+01 volume 0.16853E-02 ppm1 2.677 ppm2 8.043 CV 1 ASSI { 4860} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 4860 spectrum 1 weight 0.10000E+01 volume 0.76856E-02 ppm1 2.705 ppm2 4.615 CV 1 OR { 4860} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) ASSI { 4869} (( segid " " and resid 71 and name HA )) (( segid " " and resid 70 and name HB )) 5.400 3.600 0.600 peak 4869 spectrum 1 weight 0.10000E+01 volume 0.13655E-03 ppm1 4.224 ppm2 4.576 CV 1 ASSI { 4874} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 20 and name HB1 )) 4.100 2.100 1.900 peak 4874 spectrum 1 weight 0.10000E+01 volume 0.61625E-03 ppm1 4.061 ppm2 2.240 CV 1 OR { 4874} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 20 and name HB1 )) ASSI { 4881} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 68 and name HN )) 5.200 3.400 0.800 peak 4881 spectrum 1 weight 0.10000E+01 volume 0.32694E-03 ppm1 4.025 ppm2 7.540 CV 1 ASSI { 4900} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 26 and name HD2%) 3.500 1.500 1.500 peak 4900 spectrum 1 weight 0.10000E+01 volume 0.21723E-02 ppm1 1.254 ppm2 0.796 CV 1 ASSI { 4902} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HB2 )) 1.700 0.300 0.500 peak 4902 spectrum 1 weight 0.10000E+01 volume 0.14757E-01 ppm1 1.461 ppm2 1.253 CV 1 ASSI { 4903} (( segid " " and resid 35 and name HA )) ( segid " " and resid 38 and name HD1%) 2.700 0.900 0.900 peak 4903 spectrum 1 weight 0.10000E+01 volume 0.30040E-02 ppm1 4.372 ppm2 0.893 CV 1 ASSI { 4917} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 20 and name HB2 )) 4.700 2.800 1.300 peak 4917 spectrum 1 weight 0.10000E+01 volume 0.43036E-03 ppm1 4.065 ppm2 2.068 CV 1 OR { 4917} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 20 and name HB2 )) ASSI { 4926} (( segid " " and resid 69 and name HA )) ( segid " " and resid 35 and name HE% ) 3.500 1.500 1.500 peak 4926 spectrum 1 weight 0.10000E+01 volume 0.95722E-03 ppm1 5.283 ppm2 6.962 CV 1 ASSI { 4947} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB2 )) 2.700 0.900 0.900 peak 4947 spectrum 1 weight 0.10000E+01 volume 0.34299E-02 ppm1 1.621 ppm2 1.841 CV 1 ASSI { 4948} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 5 and name HN )) 4.300 1.400 1.400 peak 4948 spectrum 1 weight 0.10000E+01 volume 0.10422E-02 ppm1 0.982 ppm2 9.421 CV 1 ASSI { 4950} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HN )) 4.700 2.700 1.300 peak 4950 spectrum 1 weight 0.10000E+01 volume 0.53335E-03 ppm1 0.937 ppm2 7.762 CV 1 ASSI { 4951} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 40 and name HE% ) 3.800 1.800 1.800 peak 4951 spectrum 1 weight 0.10000E+01 volume 0.73375E-03 ppm1 0.804 ppm2 6.742 CV 1 ASSI { 4953} ( segid " " and resid 74 and name HG) (( segid " " and resid 35 and name HZ )) 3.700 3.700 2.300 peak 4953 spectrum 1 weight 0.10000E+01 volume 0.16257E-02 ppm1 0.932 ppm2 6.884 CV 1 ASSI { 4980} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HD2 )) 4.600 2.700 1.400 peak 4980 spectrum 1 weight 0.10000E+01 volume 0.77243E-03 ppm1 3.543 ppm2 3.203 CV 1 OR { 4980} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HD1 )) ASSI { 4988} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HA )) 5.600 3.900 0.400 peak 4988 spectrum 1 weight 0.10000E+01 volume 0.17156E-03 ppm1 1.050 ppm2 4.795 CV 1 ASSI { 4991} (( segid " " and resid 67 and name HD1 )) ( segid " " and resid 64 and name HG1%) 3.200 1.300 1.300 peak 4991 spectrum 1 weight 0.10000E+01 volume 0.12564E-02 ppm1 3.266 ppm2 0.972 CV 1 OR { 4991} (( segid " " and resid 67 and name HD2 )) ( segid " " and resid 64 and name HG1%) ASSI { 5007} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 5007 spectrum 1 weight 0.10000E+01 volume 0.16202E-02 ppm1 0.839 ppm2 3.743 CV 1 ASSI { 5009} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 59 and name HN )) 4.600 2.600 1.400 peak 5009 spectrum 1 weight 0.10000E+01 volume 0.28627E-03 ppm1 0.839 ppm2 8.478 CV 1 ASSI { 5017} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB1 )) 2.500 2.500 3.500 peak 5017 spectrum 1 weight 0.10000E+01 volume 0.10456E-02 ppm1 1.047 ppm2 3.070 CV 1 ASSI { 5021} (( segid " " and resid 71 and name HA )) ( segid " " and resid 14 and name HD1%) 4.500 2.500 1.500 peak 5021 spectrum 1 weight 0.10000E+01 volume 0.29835E-03 ppm1 4.223 ppm2 0.748 CV 1 ASSI { 5027} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HB1 )) 3.000 1.100 1.100 peak 5027 spectrum 1 weight 0.10000E+01 volume 0.17883E-02 ppm1 3.345 ppm2 2.191 CV 1 ASSI { 5028} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HB1 )) 3.900 1.900 1.900 peak 5028 spectrum 1 weight 0.10000E+01 volume 0.18847E-02 ppm1 1.118 ppm2 2.165 CV 1 ASSI { 5029} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HB1 )) 4.000 2.000 2.000 peak 5029 spectrum 1 weight 0.10000E+01 volume 0.36206E-03 ppm1 3.881 ppm2 2.411 CV 1 ASSI { 5030} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 30 and name HB2 )) 4.300 2.300 1.700 peak 5030 spectrum 1 weight 0.10000E+01 volume 0.36285E-03 ppm1 0.798 ppm2 3.037 CV 1 ASSI { 5031} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 14 and name HB1 )) 3.200 1.300 1.300 peak 5031 spectrum 1 weight 0.10000E+01 volume 0.19351E-02 ppm1 0.801 ppm2 1.981 CV 1 ASSI { 5033} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 45 and name HA )) 4.100 2.100 1.900 peak 5033 spectrum 1 weight 0.10000E+01 volume 0.47561E-03 ppm1 1.522 ppm2 3.880 CV 1 ASSI { 5036} ( segid " " and resid 82 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.500 1.600 1.600 peak 5036 spectrum 1 weight 0.10000E+01 volume 0.52691E-03 ppm1 0.981 ppm2 7.431 CV 1 ASSI { 5039} (( segid " " and resid 10 and name HA )) ( segid " " and resid 5 and name HD2%) 3.400 1.400 1.400 peak 5039 spectrum 1 weight 0.10000E+01 volume 0.12981E-02 ppm1 4.205 ppm2 0.628 CV 1 OR { 5039} (( segid " " and resid 10 and name HA )) ( segid " " and resid 5 and name HD1%) ASSI { 5047} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HB1 )) 3.600 3.600 2.400 peak 5047 spectrum 1 weight 0.10000E+01 volume 0.56605E-03 ppm1 4.453 ppm2 2.279 CV 1 ASSI { 5053} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 14 and name HD1%) 3.700 1.700 1.700 peak 5053 spectrum 1 weight 0.10000E+01 volume 0.48375E-03 ppm1 7.216 ppm2 0.698 CV 1 ASSI { 5062} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 5062 spectrum 1 weight 0.10000E+01 volume 0.33026E-02 ppm1 1.036 ppm2 4.726 CV 1 ASSI { 5070} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB1 )) 2.500 0.800 0.800 peak 5070 spectrum 1 weight 0.10000E+01 volume 0.76032E-02 ppm1 4.271 ppm2 2.020 CV 1 ASSI { 5071} (( segid " " and resid 33 and name HG )) (( segid " " and resid 30 and name HA )) 3.100 1.200 1.200 peak 5071 spectrum 1 weight 0.10000E+01 volume 0.14162E-02 ppm1 1.774 ppm2 4.724 CV 1 ASSI { 5083} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 30 and name HD% ) 2.900 1.100 1.100 peak 5083 spectrum 1 weight 0.10000E+01 volume 0.21250E-02 ppm1 2.204 ppm2 7.310 CV 1 ASSI { 5087} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HB2 )) 4.800 2.900 1.200 peak 5087 spectrum 1 weight 0.10000E+01 volume 0.47725E-03 ppm1 3.032 ppm2 1.250 CV 1 ASSI { 5104} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HN )) 3.400 1.400 1.400 peak 5104 spectrum 1 weight 0.10000E+01 volume 0.11150E-02 ppm1 1.257 ppm2 8.448 CV 1 ASSI { 5110} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HN )) 4.400 2.400 1.600 peak 5110 spectrum 1 weight 0.10000E+01 volume 0.57654E-03 ppm1 0.882 ppm2 8.278 CV 1 ASSI { 5111} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HN )) 4.100 2.100 1.900 peak 5111 spectrum 1 weight 0.10000E+01 volume 0.15218E-02 ppm1 1.020 ppm2 8.464 CV 1 ASSI { 5112} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HN )) 3.600 1.600 1.600 peak 5112 spectrum 1 weight 0.10000E+01 volume 0.83567E-03 ppm1 1.032 ppm2 8.377 CV 1 ASSI { 5114} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 11 and name HA )) 3.800 1.800 1.800 peak 5114 spectrum 1 weight 0.10000E+01 volume 0.43302E-03 ppm1 0.692 ppm2 3.554 CV 1 ASSI { 5121} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.800 1.800 1.800 peak 5121 spectrum 1 weight 0.10000E+01 volume 0.78103E-03 ppm1 0.688 ppm2 6.740 CV 1 ASSI { 5123} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 5123 spectrum 1 weight 0.10000E+01 volume 0.49229E-03 ppm1 0.798 ppm2 7.210 CV 1 ASSI { 5124} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 14 and name HB1 )) 3.500 1.500 1.500 peak 5124 spectrum 1 weight 0.10000E+01 volume 0.12522E-02 ppm1 0.696 ppm2 1.981 CV 1 ASSI { 5129} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 29 and name HA )) 3.700 1.700 1.700 peak 5129 spectrum 1 weight 0.10000E+01 volume 0.59505E-03 ppm1 7.308 ppm2 4.843 CV 1 ASSI { 5130} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HB1 )) 1.700 0.400 0.500 peak 5130 spectrum 1 weight 0.10000E+01 volume 0.26895E-01 ppm1 2.671 ppm2 2.893 CV 1 ASSI { 5133} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 45 and name HD2%) 4.900 3.000 1.100 peak 5133 spectrum 1 weight 0.10000E+01 volume 0.55164E-03 ppm1 2.827 ppm2 0.340 CV 1 ASSI { 5139} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HB2 )) 1.600 0.300 0.600 peak 5139 spectrum 1 weight 0.10000E+01 volume 0.28528E-01 ppm1 2.236 ppm2 2.083 CV 1 ASSI { 5146} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HA )) 2.700 0.900 0.900 peak 5146 spectrum 1 weight 0.10000E+01 volume 0.37276E-02 ppm1 2.871 ppm2 4.715 CV 1 ASSI { 5151} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 5151 spectrum 1 weight 0.10000E+01 volume 0.43699E-02 ppm1 4.552 ppm2 7.812 CV 1 ASSI { 5153} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 30 and name HB1 )) 3.900 1.900 1.900 peak 5153 spectrum 1 weight 0.10000E+01 volume 0.29879E-03 ppm1 0.802 ppm2 3.294 CV 1 ASSI { 5158} (( segid " " and resid 2 and name HA )) (( segid " " and resid 3 and name HN )) 3.100 1.200 1.200 peak 5158 spectrum 1 weight 0.10000E+01 volume 0.18879E-02 ppm1 4.279 ppm2 8.665 CV 1 ASSI { 5159} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 86 and name HN )) 3.700 1.700 1.700 peak 5159 spectrum 1 weight 0.10000E+01 volume 0.15796E-02 ppm1 1.564 ppm2 7.966 CV 1 ASSI { 5162} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.500 0.800 0.800 peak 5162 spectrum 1 weight 0.10000E+01 volume 0.68144E-02 ppm1 4.358 ppm2 2.212 CV 1 ASSI { 5163} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.500 0.800 0.800 peak 5163 spectrum 1 weight 0.10000E+01 volume 0.65202E-02 ppm1 4.358 ppm2 2.148 CV 1 ASSI { 5171} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HN )) 3.500 1.500 1.500 peak 5171 spectrum 1 weight 0.10000E+01 volume 0.65523E-03 ppm1 3.615 ppm2 7.822 CV 1 ASSI { 5172} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HD1% )) 3.000 1.500 1.500 peak 5172 spectrum 1 weight 0.10000E+01 volume 0.65523E-03 ppm1 3.615 ppm2 7.822 CV 1 ASSI { 5174} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 26 and name HD2%) 3.800 1.800 1.800 peak 5174 spectrum 1 weight 0.10000E+01 volume 0.34666E-03 ppm1 3.300 ppm2 0.796 CV 1 ASSI { 5176} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HG )) 4.200 2.200 1.800 peak 5176 spectrum 1 weight 0.10000E+01 volume 0.59955E-03 ppm1 3.307 ppm2 1.778 CV 1 OR { 5176} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HB1 )) ASSI { 5177} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HE% ) 4.600 2.700 1.400 peak 5177 spectrum 1 weight 0.10000E+01 volume 0.58585E-03 ppm1 3.307 ppm2 7.206 CV 1 ASSI { 5181} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HG )) 3.600 1.600 1.600 peak 5181 spectrum 1 weight 0.10000E+01 volume 0.44283E-03 ppm1 3.032 ppm2 1.787 CV 1 OR { 5181} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HB1 )) ASSI { 5183} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HN )) 4.600 2.700 1.400 peak 5183 spectrum 1 weight 0.10000E+01 volume 0.30555E-03 ppm1 3.303 ppm2 7.529 CV 1 ASSI { 5182} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HE% )) 4.500 2.600 1.500 peak 5182 spectrum 1 weight 0.10000E+01 volume 0.38320E-03 ppm1 3.034 ppm2 7.207 CV 1 ASSI { 5183} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HN )) 3.900 1.900 1.900 peak 5183 spectrum 1 weight 0.10000E+01 volume 0.30681E-03 ppm1 3.039 ppm2 7.518 CV 1 ASSI { 5184} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HN )) 3.900 1.900 1.900 peak 5184 spectrum 1 weight 0.10000E+01 volume 0.30681E-03 ppm1 3.039 ppm2 7.518 CV 1 ASSI { 5190} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 30 and name HD% ) 3.500 1.500 1.500 peak 5190 spectrum 1 weight 0.10000E+01 volume 0.10228E-02 ppm1 0.791 ppm2 7.319 CV 1 ASSI { 5195} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB2 )) 3.100 3.100 2.900 peak 5195 spectrum 1 weight 0.10000E+01 volume 0.16141E-02 ppm1 0.643 ppm2 2.678 CV 1 ASSI { 5196} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HB1 )) 4.500 2.500 1.500 peak 5196 spectrum 1 weight 0.10000E+01 volume 0.20752E-02 ppm1 1.043 ppm2 1.867 CV 1 ASSI { 5203} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HB )) 4.300 2.300 1.700 peak 5203 spectrum 1 weight 0.10000E+01 volume 0.52431E-03 ppm1 0.476 ppm2 4.308 CV 1 ASSI { 5206} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB2 )) 2.600 0.800 0.800 peak 5206 spectrum 1 weight 0.10000E+01 volume 0.82315E-02 ppm1 4.203 ppm2 4.322 CV 1 ASSI { 5217} (( segid " " and resid 34 and name HD1 )) ( segid " " and resid 70 and name HG2%) 4.100 2.100 1.900 peak 5217 spectrum 1 weight 0.10000E+01 volume 0.56068E-03 ppm1 3.427 ppm2 1.044 CV 1 ASSI { 5218} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HD2 )) 1.400 0.300 0.800 peak 5218 spectrum 1 weight 0.10000E+01 volume 0.34458E-01 ppm1 3.430 ppm2 3.324 CV 1 ASSI { 5220} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HN )) 4.000 2.000 2.000 peak 5220 spectrum 1 weight 0.10000E+01 volume 0.57744E-03 ppm1 3.342 ppm2 8.443 CV 1 ASSI { 5221} (( segid " " and resid 34 and name HD2 )) ( segid " " and resid 70 and name HG2%) 4.100 2.100 1.900 peak 5221 spectrum 1 weight 0.10000E+01 volume 0.44784E-03 ppm1 3.355 ppm2 1.037 CV 1 ASSI { 5222} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HA )) 5.300 3.500 0.700 peak 5222 spectrum 1 weight 0.10000E+01 volume 0.34935E-03 ppm1 3.367 ppm2 4.041 CV 1 ASSI { 5224} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HG2 )) 3.000 1.100 1.100 peak 5224 spectrum 1 weight 0.10000E+01 volume 0.33357E-02 ppm1 3.352 ppm2 1.628 CV 1 ASSI { 5226} (( segid " " and resid 34 and name HG2 )) ( segid " " and resid 70 and name HG2%) 3.300 1.400 1.400 peak 5226 spectrum 1 weight 0.10000E+01 volume 0.13781E-02 ppm1 1.623 ppm2 1.045 CV 1 ASSI { 5231} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 48 and name HG2%) 4.300 2.300 1.700 peak 5231 spectrum 1 weight 0.10000E+01 volume 0.49933E-03 ppm1 4.128 ppm2 1.104 CV 1 ASSI { 5232} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 48 and name HG2%) 4.400 2.400 1.600 peak 5232 spectrum 1 weight 0.10000E+01 volume 0.41889E-03 ppm1 4.040 ppm2 1.104 CV 1 ASSI { 5235} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HB2 )) 1.700 0.300 0.500 peak 5235 spectrum 1 weight 0.10000E+01 volume 0.19226E-01 ppm1 4.131 ppm2 4.047 CV 1 ASSI { 5236} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 40 and name HE% ) 3.900 1.900 1.900 peak 5236 spectrum 1 weight 0.10000E+01 volume 0.34710E-03 ppm1 4.127 ppm2 6.743 CV 1 ASSI { 5237} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 40 and name HE% ) 4.100 2.100 1.900 peak 5237 spectrum 1 weight 0.10000E+01 volume 0.37704E-03 ppm1 4.039 ppm2 6.744 CV 1 ASSI { 5260} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 6 and name HN )) 3.000 1.100 1.100 peak 5260 spectrum 1 weight 0.10000E+01 volume 0.14797E-02 ppm1 2.680 ppm2 9.048 CV 1 ASSI { 5253} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 31 and name HD2%) 3.500 1.500 1.500 peak 5253 spectrum 1 weight 0.10000E+01 volume 0.16583E-02 ppm1 1.040 ppm2 0.790 CV 1 ASSI { 5262} (( segid " " and resid 68 and name HA )) (( segid " " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 5262 spectrum 1 weight 0.10000E+01 volume 0.16435E-02 ppm1 4.425 ppm2 2.269 CV 1 ASSI { 5263} (( segid " " and resid 68 and name HA )) (( segid " " and resid 73 and name HB1 )) 3.400 1.400 1.400 peak 5263 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 4.430 ppm2 2.483 CV 1 ASSI { 5264} (( segid " " and resid 68 and name HB )) (( segid " " and resid 73 and name HB2 )) 3.200 1.200 1.200 peak 5264 spectrum 1 weight 0.10000E+01 volume 0.11152E-02 ppm1 2.383 ppm2 2.266 CV 1 ASSI { 5265} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HN )) 4.600 2.600 1.400 peak 5265 spectrum 1 weight 0.10000E+01 volume 0.57142E-03 ppm1 4.431 ppm2 7.641 CV 1 ASSI { 5273} (( segid " " and resid 69 and name HA )) (( segid " " and resid 68 and name HN )) 4.600 2.600 1.400 peak 5273 spectrum 1 weight 0.10000E+01 volume 0.18290E-03 ppm1 5.283 ppm2 7.562 CV 1 ASSI { 5274} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HB1 )) 1.700 0.400 0.500 peak 5274 spectrum 1 weight 0.10000E+01 volume 0.22013E-01 ppm1 2.853 ppm2 2.984 CV 1 ASSI { 5276} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 70 and name HN )) 3.600 2.000 2.000 peak 5276 spectrum 1 weight 0.10000E+01 volume 0.87125E-03 ppm1 2.979 ppm2 7.455 CV 1 ASSI { 5289} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD1 )) 2.900 1.100 1.100 peak 5289 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 6.808 ppm2 3.079 CV 1 ASSI { 5291} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD1%) 3.200 1.300 1.300 peak 5291 spectrum 1 weight 0.10000E+01 volume 0.70242E-02 ppm1 4.359 ppm2 0.885 CV 1 ASSI { 5295} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.800 1.000 1.000 peak 5295 spectrum 1 weight 0.10000E+01 volume 0.16565E-02 ppm1 4.375 ppm2 2.125 CV 1 ASSI { 5296} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HB1 )) 1.500 0.300 0.700 peak 5296 spectrum 1 weight 0.10000E+01 volume 0.42582E-01 ppm1 3.972 ppm2 4.036 CV 1 ASSI { 5300} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 5300 spectrum 1 weight 0.10000E+01 volume 0.46712E-02 ppm1 1.407 ppm2 4.795 CV 1 ASSI { 5302} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HG2% )) 3.700 1.700 1.700 peak 5302 spectrum 1 weight 0.10000E+01 volume 0.15889E-02 ppm1 4.360 ppm2 1.371 CV 1 ASSI { 5304} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 3.000 1.100 1.100 peak 5304 spectrum 1 weight 0.10000E+01 volume 0.31035E-02 ppm1 1.479 ppm2 4.361 CV 1 ASSI { 5309} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HA )) 4.700 2.800 1.300 peak 5309 spectrum 1 weight 0.10000E+01 volume 0.65679E-03 ppm1 3.305 ppm2 4.034 CV 1 ASSI { 5319} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 47 and name HG2 )) 4.800 2.900 1.200 peak 5319 spectrum 1 weight 0.10000E+01 volume 0.15725E-03 ppm1 1.006 ppm2 2.451 CV 1 ASSI { 5320} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG )) 2.600 0.900 0.900 peak 5320 spectrum 1 weight 0.10000E+01 volume 0.29038E-02 ppm1 3.883 ppm2 1.380 CV 1 ASSI { 5324} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.400 0.700 0.700 peak 5324 spectrum 1 weight 0.10000E+01 volume 0.61494E-02 ppm1 4.117 ppm2 2.363 CV 1 OR { 5324} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG2 )) ASSI { 5325} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 44 and name HA )) 3.900 1.900 1.900 peak 5325 spectrum 1 weight 0.10000E+01 volume 0.21064E-02 ppm1 2.327 ppm2 4.306 CV 1 ASSI { 5328} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HA )) 6.000 4.500 0.000 peak 5328 spectrum 1 weight 0.10000E+01 volume 0.11114E-03 ppm1 2.474 ppm2 4.387 CV 1 ASSI { 5330} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 44 and name HA )) 4.200 2.200 1.800 peak 5330 spectrum 1 weight 0.10000E+01 volume 0.61036E-03 ppm1 2.451 ppm2 4.303 CV 1 ASSI { 5331} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 43 and name HD2%) 3.900 1.900 1.900 peak 5331 spectrum 1 weight 0.10000E+01 volume 0.57892E-03 ppm1 2.454 ppm2 1.067 CV 1 ASSI { 5335} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 43 and name HD2%) 3.800 1.800 1.800 peak 5335 spectrum 1 weight 0.10000E+01 volume 0.65668E-03 ppm1 2.427 ppm2 1.029 CV 1 OR { 5335} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 43 and name HD1%) ASSI { 5338} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HN )) 4.100 2.100 1.900 peak 5338 spectrum 1 weight 0.10000E+01 volume 0.79658E-03 ppm1 0.839 ppm2 8.237 CV 1 ASSI { 5339} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG2 )) 2.400 0.700 0.700 peak 5339 spectrum 1 weight 0.10000E+01 volume 0.89255E-02 ppm1 2.144 ppm2 2.505 CV 1 OR { 5339} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG1 )) ASSI { 5336} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HB2 )) 2.400 0.700 0.700 peak 5336 spectrum 1 weight 0.10000E+01 volume 0.10412E-01 ppm1 2.507 ppm2 2.159 CV 1 ASSI { 5353} (( segid " " and resid 81 and name HB% )) ( segid " " and resid 78 and name HG2%) 4.100 2.100 1.900 peak 5353 spectrum 1 weight 0.10000E+01 volume 0.79658E-03 ppm1 1.628 ppm2 0.858 CV 1 ASSI { 5354} (( segid " " and resid 81 and name HA )) ( segid " " and resid 80 and name HA1) 3.600 2.100 2.300 peak 5354 spectrum 1 weight 0.10000E+01 volume 0.79658E-03 ppm1 4.452 ppm2 4.022 CV 1 ASSI { 5360} (( segid " " and resid 83 and name HA )) ( segid " " and resid 4 and name HD1%) 5.100 2.100 0.900 peak 5360 spectrum 1 weight 0.10000E+01 volume 0.79658E-03 ppm1 4.284 ppm2 0.886 CV 1 ASSI { 5357} (( segid " " and resid 83 and name HB% )) ( segid " " and resid 4 and name HD1%) 4.100 2.100 1.900 peak 5357 spectrum 1 weight 0.10000E+01 volume 0.79658E-03 ppm1 4.284 ppm2 0.876 CV 1 ASSI { 5359} (( segid " " and resid 83 and name HA )) ( segid " " and resid 82 and name HD2%) 4.100 2.100 1.900 peak 5359 spectrum 1 weight 0.10000E+01 volume 0.79658E-03 ppm1 4.284 ppm2 0.967 CV 1 OR { 5359} ( segid " " and resid 83 and name HA) (( segid " " and resid 82 and name HD1%)) ASSI { 5358} (( segid " " and resid 83 and name HB% )) ( segid " " and resid 82 and name HD2%) 4.100 2.100 1.900 peak 5359 spectrum 1 weight 0.10000E+01 volume 0.79658E-03 ppm1 1.600 ppm2 0.967 CV 1 OR { 5358} ( segid " " and resid 83 and name HB%) (( segid " " and resid 82 and name HD1%)) ASSI { 5361} (( segid " " and resid 83 and name HB% )) (( segid " " and resid 79 and name HA )) 4.500 1.900 1.500 peak 5361 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 1.600 ppm2 4.912 CV 1 ASSI { 5363} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 31 and name HB2 )) 5.500 1.900 0.500 peak 5363 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 1.602 ppm2 7.845 CV 1 ASSI { 5366} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 31 and name HB2 )) 5.500 1.900 0.500 peak 5366 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 1.602 ppm2 7.845 CV 1 ASSI { 5369} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HD1 )) 3.300 1.900 0.500 peak 5369 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 1.602 ppm2 7.845 CV 1 ASSI { 5370} (( segid " " and resid 38 and name HD1% )) (( segid " " and resid 35 and name HD% )) 3.300 1.900 1.500 peak 5370 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 0.894 ppm2 7.177 CV 1 ASSI { 5371} (( segid " " and resid 38 and name HD1% )) (( segid " " and resid 40 and name HD% )) 3.300 1.900 1.500 peak 5371 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 0.894 ppm2 6.974 CV 1 ASSI { 5373} (( segid " " and resid 38 and name HD1% )) (( segid " " and resid 38 and name HN )) 3.300 1.900 1.500 peak 5371 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 0.894 ppm2 7.708 CV 1 ASSI { 5371} (( segid " " and resid 38 and name HD1% )) (( segid " " and resid 40 and name HD% )) 3.300 1.900 1.500 peak 5371 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 0.894 ppm2 6.974 CV 1 ASSI { 5372} (( segid " " and resid 38 and name HD1% )) (( segid " " and resid 40 and name HE% )) 3.300 1.900 1.500 peak 5372 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 0.894 ppm2 6.741 CV 1 ASSI { 5377} (( segid " " and resid 38 and name HD1% )) (( segid " " and resid 40 and name HE% )) 3.300 1.900 1.500 peak 5372 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 1.001 ppm2 1.658 CV 1 ASSI { 5380} (( segid " " and resid 74 and name HD2% )) (( segid " " and resid 74 and name HB2 )) 3.300 1.900 1.500 peak 5380 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 1.116 ppm2 4.201 CV 1 ASSI { 5384} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name HA )) 3.300 0.900 0.900 peak 5384 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.041 ppm2 8.033 CV 1 ASSI { 5385} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 42 and name HA )) 3.300 0.900 0.900 peak 5385 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.041 ppm2 8.033 CV 1 ASSI { 5387} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 40 and name HD% )) 2.800 0.900 0.900 peak 5387 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.041 ppm2 8.033 CV 1 ASSI { 5388} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HN )) 3.500 1.900 1.900 peak 5388 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.041 ppm2 8.033 CV 1 ASSI { 5389} (( segid " " and resid 5 and name HD2% )) (( segid " " and resid 75 and name HA )) 4.100 1.900 1.900 peak 5389 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.041 ppm2 8.033 CV 1 ASSI { 5395} (( segid " " and resid 45 and name HD1% )) (( segid " " and resid 44 and name HB% )) 5.200 1.900 0.800 peak 5395 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 0.224 ppm2 1.523 CV 1 ASSI { 5394} (( segid " " and resid 45 and name HD2% )) (( segid " " and resid 44 and name HB% )) 5.200 1.900 0.800 peak 5394 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 0.340 ppm2 1.520 CV 1 ASSI { 5391} (( segid " " and resid 45 and name HD1% )) (( segid " " and resid 65 and name HB% )) 4.800 1.900 1.200 peak 5391 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 0.348 ppm2 1.338 CV 1 ASSI { 5393} (( segid " " and resid 45 and name HD1% )) (( segid " " and resid 65 and name HB% )) 4.800 1.900 1.200 peak 5394 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 0.217 ppm2 1.338 CV 1 ASSI { 5396} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 2.800 1.900 1.200 peak 5394 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 2.400 ppm2 4.271 CV 1 ASSI { 5396} (( segid " " and resid 82 and name HD2% )) (( segid " " and resid 82 and name HG )) 2.800 1.900 1.200 peak 5396 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 0.979 ppm2 1.859 CV 1 ASSI { 5400} (( segid " " and resid 33 and name HD2% )) (( segid " " and resid 33 and name HB2 )) 2.800 1.900 1.200 peak 5400 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.052 ppm2 1.414 CV 1 ASSI { 5404} (( segid " " and resid 10 and name HD2% )) (( segid " " and resid 31 and name HD1% )) 3.800 1.900 2.200 peak 5400 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.116 ppm2 0.470 CV 1 ASSI { 5408} (( segid " " and resid 10 and name HD2% )) (( segid " " and resid 71 and name HB2 )) 3.800 1.900 1.200 peak 5408 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.118 ppm2 2.022 CV 1 ASSI { 5414} (( segid " " and resid 74 and name HD2% )) (( segid " " and resid 45 and name HD2% )) 3.200 1.900 1.200 peak 5414 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.105 ppm2 0.337 CV 1 OR { 5414} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 45 and name HD2%)) ASSI { 5415} (( segid " " and resid 74 and name HD2% )) (( segid " " and resid 45 and name HD1% )) 3.200 1.900 1.200 peak 5415 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.105 ppm2 0.240 CV 1 OR { 5416} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 45 and name HD1%)) ASSI { 5416} (( segid " " and resid 74 and name HD1% )) (( segid " " and resid 49 and name HB% )) 3.200 1.900 1.200 peak 5416 spectrum 1 weight 0.10000E+01 volume 0.69094E-03 ppm1 1.014 ppm2 1.453 CV 1 OR { 5416} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 49 and name HB%)) ASSI { 5419} (( segid " " and resid 74 and name HG )) ( segid " " and resid 74 and name HB2 ) 3.100 1.200 1.200 peak 5419 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 2.042 ppm2 7.214 CV 1 ASSI { 5418} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HG ) 3.100 1.200 1.200 peak 5418 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 2.042 ppm2 7.214 CV 1 ASSI { 5421} (( segid " " and resid 74 and name HG )) ( segid " " and resid 45 and name HD1% ) 5.200 1.200 0.800 peak 5421 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 2.042 ppm2 7.214 CV 1 ASSI { 5420} (( segid " " and resid 74 and name HG )) ( segid " " and resid 45 and name HD1% ) 4.800 1.200 1.200 peak 5420 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 2.042 ppm2 7.214 CV 1 ASSI { 5422} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 31 and name HD1%) 5.200 3.300 0.800 peak 5422 spectrum 1 weight 0.10000E+01 volume 0.57791E-03 ppm1 1.856 ppm2 0.472 CV 1 ASSI { 5428} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HB%) 2.800 0.900 0.800 peak 5428 spectrum 1 weight 0.10000E+01 volume 0.57791E-03 ppm1 1.856 ppm2 0.472 CV 1 ASSI { 5432} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 5432 spectrum 1 weight 0.10000E+01 volume 0.49229E-03 ppm1 0.798 ppm2 7.210 CV 1 ASSI { 5434} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HA )) 2.800 0.800 0.800 peak 5434 spectrum 1 weight 0.10000E+01 volume 0.20415E-03 ppm1 2.013 ppm2 6.904 CV 1 ASSI { 5435} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 35 and name HZ )) 5.800 4.200 0.200 peak 5435 spectrum 1 weight 0.10000E+01 volume 0.20415E-03 ppm1 2.013 ppm2 6.904 CV 1 ASSI { 5436} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 31 and name HD2%) 4.100 2.100 1.900 peak 5436 spectrum 1 weight 0.10000E+01 volume 0.52617E-03 ppm1 2.257 ppm2 0.787 CV 1 ASSI { 5437} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 10 and name HD2%) 3.400 1.400 1.400 peak 5437 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5438} (( segid " " and resid 71 and name HA )) ( segid " " and resid 10 and name HD2%) 3.700 1.400 1.400 peak 5438 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5439} (( segid " " and resid 58 and name HG2% )) ( segid " " and resid 82 and name HA) 4.800 3.400 1.200 peak 5439 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5445} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD1%) 2.800 1.400 1.200 peak 5445 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5446} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HD1%) 4.800 3.400 1.200 peak 5446 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5447} (( segid " " and resid 45 and name HD2% )) ( segid " " and resid 74 and name HG) 4.000 3.400 1.200 peak 5447 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5448} (( segid " " and resid 45 and name HD2% )) ( segid " " and resid 74 and name HD1%) 4.000 3.400 1.200 peak 5448 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 OR { 5448} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 74 and name HD2%)) ASSI { 5451} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HN )) 2.800 0.700 0.700 peak 5451 spectrum 1 weight 0.10000E+01 volume 0.63627E-02 ppm1 2.021 ppm2 8.015 CV 1 OR { 5451} ( segid " " and resid 11 and name HB1) (( segid " " and resid 12 and name HN)) ASSI { 5452} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.300 3.300 2.700 peak 5452 spectrum 1 weight 0.10000E+01 volume 0.23226E-02 ppm1 2.023 ppm2 8.145 CV 1 ASSI { 5453} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HD2 )) 3.300 3.300 2.700 peak 5453 spectrum 1 weight 0.10000E+01 volume 0.23226E-02 ppm1 2.023 ppm2 8.145 CV 1 ASSI { 5454} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HD2 )) 3.300 3.300 2.700 peak 5454 spectrum 1 weight 0.10000E+01 volume 0.23226E-02 ppm1 2.023 ppm2 8.145 CV 1 ASSI { 5455} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HD1 )) 3.300 3.300 2.700 peak 5455 spectrum 1 weight 0.10000E+01 volume 0.23226E-02 ppm1 2.023 ppm2 8.145 CV 1 ASSI { 5462} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HZ )) 3.800 3.300 2.200 peak 5462 spectrum 1 weight 0.10000E+01 volume 0.23226E-02 ppm1 2.023 ppm2 8.145 CV 1 ASSI { 5463} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 42 and name H5A )) 2.800 1.200 1.200 peak 5463 spectrum 1 weight 0.10000E+01 volume 0.90398E-03 ppm1 1.338 ppm2 2.781 CV 1 OR { 5463} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 42 and name H5B )) ASSI { 5465} ( segid " " and resid 51 and name HD2 ) (( segid " " and resid 51 and name HA )) 2.800 1.200 1.200 peak 5465 spectrum 1 weight 0.10000E+01 volume 0.90398E-03 ppm1 1.338 ppm2 2.781 CV 1 ASSI { 5466} ( segid " " and resid 51 and name HD1 ) (( segid " " and resid 51 and name HA )) 2.800 1.200 1.200 peak 5468 spectrum 1 weight 0.10000E+01 volume 0.90398E-03 ppm1 1.338 ppm2 2.781 CV 1 ASSI { 5467} ( segid " " and resid 67 and name HD1 ) (( segid " " and resid 67 and name HG1 )) 2.800 1.200 1.200 peak 5467 spectrum 1 weight 0.10000E+01 volume 0.90398E-03 ppm1 1.338 ppm2 2.781 CV 1 ASSI { 5468} ( segid " " and resid 51 and name HD2 ) (( segid " " and resid 51 and name HG2 )) 2.800 1.200 1.200 peak 5468 spectrum 1 weight 0.10000E+01 volume 0.90398E-03 ppm1 1.338 ppm2 2.781 CV 1 ASSI { 5469} ( segid " " and resid 51 and name HD2 ) (( segid " " and resid 52 and name HN )) 4.800 1.200 1.200 peak 5469 spectrum 1 weight 0.10000E+01 volume 0.90398E-03 ppm1 1.338 ppm2 2.781 CV 1 ASSI { 5472} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HA )) 4.200 1.300 1.300 peak 5472 spectrum 1 weight 0.10000E+01 volume 0.19196E-02 ppm1 3.350 ppm2 1.840 CV 1 ASSI { 5473} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HA )) 4.200 1.300 1.300 peak 5473 spectrum 1 weight 0.10000E+01 volume 0.19196E-02 ppm1 3.350 ppm2 1.840 CV 1 ASSI { 5475} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HB2 )) 3.200 1.300 1.300 peak 5475 spectrum 1 weight 0.10000E+01 volume 0.19196E-02 ppm1 3.350 ppm2 1.840 CV 1 ASSI { 5478} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 48 and name HA )) 4.200 2.600 1.800 peak 5478 spectrum 1 weight 0.10000E+01 volume 0.80770E-03 ppm1 3.283 ppm2 3.933 CV 1 ASSI { 5481} (( segid " " and resid 13 and name HB% )) (( segid " " and resid 10 and name HA )) 3.400 2.600 2.600 peak 5478 spectrum 1 weight 0.10000E+01 volume 0.80770E-03 ppm1 3.283 ppm2 3.933 CV 1 ASSI { 5482} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 13 and name HN )) 4.200 2.200 1.800 peak 5482 spectrum 1 weight 0.10000E+01 volume 0.60267E-03 ppm1 1.040 ppm2 8.705 CV 1 ASSI { 5483} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 35 and name HE% )) 5.200 2.200 0.800 peak 5483 spectrum 1 weight 0.10000E+01 volume 0.60267E-03 ppm1 1.040 ppm2 8.705 CV 1 ASSI { 5484} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 35 and name HZ )) 5.200 2.200 0.800 peak 5484 spectrum 1 weight 0.10000E+01 volume 0.60267E-03 ppm1 1.040 ppm2 8.705 CV 1 ASSI { 5485} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HA )) 2.800 0.900 0.900 peak 5485 spectrum 1 weight 0.10000E+01 volume 0.58432E-03 ppm1 1.112 ppm2 8.160 CV 1 ASSI { 5486} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 53 and name HN )) 3.800 2.200 2.200 peak 5486 spectrum 1 weight 0.10000E+01 volume 0.58432E-03 ppm1 1.112 ppm2 8.160 CV 1 ASSI { 5496} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 35 and name HZ )) 4.800 2.200 1.200 peak 5496 spectrum 1 weight 0.10000E+01 volume 0.58432E-03 ppm1 1.112 ppm2 8.160 CV 1 ASSI { 5497} ( segid " " and resid 81 and name HB%) (( segid " " and resid 58 and name HA )) 4.800 2.200 1.200 peak 5496 spectrum 1 weight 0.10000E+01 volume 0.58432E-03 ppm1 1.112 ppm2 8.160 CV 1 ASSI { 5502} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) 3.000 1.100 1.100 peak 5502 spectrum 1 weight 0.10000E+01 volume 0.20827E-02 ppm1 8.155 ppm2 1.479 CV 1 ASSI { 5503} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB1 )) 3.000 1.100 1.100 peak 5503 spectrum 1 weight 0.10000E+01 volume 0.20827E-02 ppm1 8.155 ppm2 1.479 CV 1 ASSI { 5504} (( segid " " and resid 4 and name HA )) ( segid " " and resid 79 and name HD22 ) 5.500 3.800 0.500 peak 5504 spectrum 1 weight 0.10000E+01 volume 0.21502E-03 ppm1 2.747 ppm2 1.628 CV 1 ASSI { 5505} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 79 and name HD22 ) 5.500 3.800 0.500 peak 5505 spectrum 1 weight 0.10000E+01 volume 0.21502E-03 ppm1 2.747 ppm2 1.628 CV 1 ASSI { 5506} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 79 and name HD22 ) 5.500 3.800 0.500 peak 5506 spectrum 1 weight 0.10000E+01 volume 0.21502E-03 ppm1 2.747 ppm2 1.628 CV 1 ASSI { 5507} (( segid " " and resid 4 and name HA )) ( segid " " and resid 79 and name HA ) 5.500 3.800 0.500 peak 5507 spectrum 1 weight 0.10000E+01 volume 0.21502E-03 ppm1 2.747 ppm2 1.628 CV 1 ASSI { 5508} (( segid " " and resid 4 and name HD2% )) ( segid " " and resid 82 and name HB1 ) 3.500 3.800 2.500 peak 5508 spectrum 1 weight 0.10000E+01 volume 0.21502E-03 ppm1 2.747 ppm2 1.628 CV 1 ASSI { 5510} (( segid " " and resid 5 and name HA )) ( segid " " and resid 75 and name HD1%) 5.400 2.400 0.600 peak 5510 spectrum 1 weight 0.10000E+01 volume 0.77289E-03 ppm1 1.366 ppm2 0.792 CV 1 ASSI { 5513} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 75 and name HD1%) 4.400 2.400 1.600 peak 5513 spectrum 1 weight 0.10000E+01 volume 0.77289E-03 ppm1 1.366 ppm2 0.792 CV 1 ASSI { 5514} ( segid " " and resid 5 and name HA) (( segid " " and resid 9 and name HB2 )) 3.100 3.100 2.900 peak 5514 spectrum 1 weight 0.10000E+01 volume 0.16141E-02 ppm1 0.643 ppm2 2.678 CV 1 ASSI { 5515} ( segid " " and resid 5 and name HB1) (( segid " " and resid 9 and name HB2 )) 4.800 3.100 2.900 peak 5515 spectrum 1 weight 0.10000E+01 volume 0.16141E-02 ppm1 0.643 ppm2 2.678 CV 1 ASSI { 5518} ( segid " " and resid 5 and name HB1) (( segid " " and resid 9 and name HB1 )) 4.800 3.100 1.200 peak 5519 spectrum 1 weight 0.10000E+01 volume 0.16141E-02 ppm1 0.643 ppm2 2.678 CV 1 ASSI { 5521} ( segid " " and resid 5 and name HA) (( segid " " and resid 56 and name HE% )) 4.800 3.100 1.200 peak 5517 spectrum 1 weight 0.10000E+01 volume 0.16141E-02 ppm1 0.643 ppm2 2.678 CV 1 ASSI { 5523} (( segid " " and resid 28 and name HA1 )) (( segid " " and resid 29 and name HA )) 4.100 2.100 1.900 peak 5523 spectrum 1 weight 0.10000E+01 volume 0.51869E-03 ppm1 3.883 ppm2 4.854 CV 1 ASSI { 5525} ( segid " " and resid 30 and name HZ ) (( segid " " and resid 71 and name HB2 )) 4.000 1.200 1.200 peak 5525 spectrum 1 weight 0.10000E+01 volume 0.15731E-02 ppm1 7.219 ppm2 2.034 CV 1 ASSI { 5529} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 10 and name HD2% )) 4.100 2.100 1.900 peak 5529 spectrum 1 weight 0.10000E+01 volume 0.51869E-03 ppm1 3.883 ppm2 4.854 CV 1 ASSI { 5530} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 14 and name HD2% )) 5.100 2.100 0.900 peak 5530 spectrum 1 weight 0.10000E+01 volume 0.51869E-03 ppm1 3.883 ppm2 4.854 CV 1 ASSI { 5533} (( segid " " and resid 11 and name HG1 )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 5533 spectrum 1 weight 0.10000E+01 volume 0.56964E-03 ppm1 1.199 ppm2 7.221 CV 1 ASSI { 5534} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HA )) 3.600 1.000 1.000 peak 5534 spectrum 1 weight 0.10000E+01 volume 0.85996E-03 ppm1 3.028 ppm2 3.603 CV 1 ASSI { 5537} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HB2 )) 3.800 2.100 1.900 peak 5537 spectrum 1 weight 0.10000E+01 volume 0.45249E-03 ppm1 7.766 ppm2 0.791 CV 1 ASSI { 5538} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HB )) 3.800 2.100 1.900 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.45249E-03 ppm1 7.766 ppm2 0.791 CV 1 ASSI { 5542} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HG12)) 4.500 2.500 1.500 peak 5542 spectrum 1 weight 0.10000E+01 volume 0.53425E-03 ppm1 3.570 ppm2 1.122 CV 1 ASSI { 5545} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HD2%) 3.200 1.600 1.600 peak 5545 spectrum 1 weight 0.10000E+01 volume 0.56753E-03 ppm1 3.553 ppm2 0.700 CV 1 ASSI { 5551} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HG2 )) 4.300 2.300 1.700 peak 5551 spectrum 1 weight 0.10000E+01 volume 0.59908E-03 ppm1 4.450 ppm2 2.489 CV 1 ASSI { 5555} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB1 )) 3.200 1.900 1.900 peak 5555 spectrum 1 weight 0.10000E+01 volume 0.20721E-02 ppm1 4.360 ppm2 3.039 CV 1 ASSI { 5556} ( segid " " and resid 26 and name HA) ( segid " " and resid 30 and name HD% ) 3.500 1.100 1.100 peak 5556 spectrum 1 weight 0.10000E+01 volume 0.21993E-02 ppm1 0.690 ppm2 7.310 CV 1 ASSI { 5561} (( segid " " and resid 71 and name HA )) ( segid " " and resid 10 and name HD1%) 3.700 1.400 1.400 peak 5561 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5563} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 31 and name HB2) 3.700 1.400 1.400 peak 5561 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5565} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 38 and name HG2%) 3.700 1.400 1.400 peak 5565 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5567} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 38 and name HG2%) 3.700 1.400 1.400 peak 5567 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5567} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 38 and name HG2%) 3.700 1.400 1.400 peak 5567 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5574} (( segid " " and resid 45 and name HD1% )) ( segid " " and resid 42 and name H7A) 3.700 1.400 2.300 peak 5574 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 OR { 5574} (( segid " " and resid 45 and name HD1% )) ( segid " " and resid 42 and name H11A) ASSI { 5575} (( segid " " and resid 45 and name HD2% )) ( segid " " and resid 42 and name H7A) 3.700 1.400 2.300 peak 5575 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 OR { 5575} (( segid " " and resid 45 and name HD2% )) ( segid " " and resid 42 and name H11A) ASSI { 5576} (( segid " " and resid 45 and name HD2% )) ( segid " " and resid 42 and name H8A) 3.700 1.400 2.300 peak 5576 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 OR { 5576} (( segid " " and resid 45 and name HD2% )) ( segid " " and resid 42 and name H10A) ASSI { 5577} (( segid " " and resid 45 and name HD1% )) ( segid " " and resid 42 and name H8A) 3.700 1.400 2.300 peak 5577 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 OR { 5577} (( segid " " and resid 45 and name HD1% )) ( segid " " and resid 42 and name H10A) ASSI { 5579} (( segid " " and resid 65 and name HB% )) ( segid " " and resid 42 and name H8A) 3.700 1.400 2.300 peak 5579 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 OR { 5579} (( segid " " and resid 65 and name HB% )) ( segid " " and resid 42 and name H10A) ASSI { 5582} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 71 and name HA) 3.500 1.400 2.300 peak 5582 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 ASSI { 5585} (( segid " " and resid 49 and name HB% )) ( segid " " and resid 42 and name H7A) 3.700 1.400 2.300 peak 5585 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 OR { 5585} (( segid " " and resid 49 and name HB% )) ( segid " " and resid 42 and name H11A) ASSI { 5586} (( segid " " and resid 49 and name HB% )) ( segid " " and resid 42 and name H8A) 3.700 1.400 2.300 peak 5586 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 2.023 ppm2 1.112 CV 1 OR { 5586} (( segid " " and resid 49 and name HB% )) ( segid " " and resid 42 and name H10A) ASSI { 5574} (( segid " " and resid 49 and name HB% )) (( segid " " and resid 52 and name HD1% )) 3.500 1.500 1.500 peak 5574 spectrum 1 weight 0.10000E+01 volume 0.65523E-03 ppm1 3.615 ppm2 7.822 CV 1 ASSI { 5575} (( segid " " and resid 49 and name HB% )) ( segid " " and resid 74 and name HD2%) 3.500 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.15581E-02 ppm1 4.203 ppm2 0.869 CV 1 OR { 5575} (( segid " " and resid 49 and name HB% )) ( segid " " and resid 74 and name HD1%) ASSI { 5576} (( segid " " and resid 49 and name HB% )) ( segid " " and resid 48 and name HG2%) 4.400 1.400 1.600 peak 5576 spectrum 1 weight 0.10000E+01 volume 0.93736E-03 ppm1 3.918 ppm2 1.118 CV 1 ASSI { 5587} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 42 and name H8A)) 3.700 0.900 0.900 peak 5587 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 OR { 5587} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 42 and name H10A)) OR { 5587} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 42 and name H10A)) OR { 5587} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 42 and name H8A)) ASSI { 5588} ( segid " " and resid 74 and name HG) (( segid " " and resid 42 and name H8A)) 3.700 0.900 0.900 peak 5587 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 OR { 5588} ( segid " " and resid 74 and name HG) (( segid " " and resid 42 and name H10A)) ASSI { 5588} ( segid " " and resid 55 and name HB1) (( segid " " and resid 56 and name HE%)) 3.700 0.900 0.900 peak 5587 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5599} ( segid " " and resid 42 and name HB1) (( segid " " and resid 42 and name H31%)) 3.200 2.300 2.300 peak 5599 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5600} ( segid " " and resid 42 and name HB2) (( segid " " and resid 42 and name H31%)) 3.200 2.300 2.300 peak 5600 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5601} ( segid " " and resid 42 and name HB2) (( segid " " and resid 45 and name HB1)) 4.200 1.200 1.200 peak 5622 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5611} ( segid " " and resid 76 and name HA) (( segid " " and resid 76 and name HN)) 2.800 0.800 0.800 peak 5611 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5619} ( segid " " and resid 83 and name HB%) (( segid " " and resid 86 and name HA)) 4.300 1.200 1.200 peak 5619 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5622} ( segid " " and resid 42 and name HB2) (( segid " " and resid 45 and name HD2%)) 4.200 1.200 1.200 peak 5622 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5623} ( segid " " and resid 42 and name HB1) (( segid " " and resid 45 and name HD2%)) 4.800 1.200 1.200 peak 5623 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5625} ( segid " " and resid 42 and name HB1) (( segid " " and resid 42 and name H30%)) 3.800 2.000 2.000 peak 5625 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5630} ( segid " " and resid 42 and name HB1) (( segid " " and resid 45 and name HB1)) 4.200 1.800 1.800 peak 5630 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5632} ( segid " " and resid 42 and name HB1) (( segid " " and resid 42 and name H28A)) 3.500 1.800 1.800 peak 5632 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5632} ( segid " " and resid 42 and name HB2) (( segid " " and resid 42 and name H28A)) 3.500 1.800 1.800 peak 5632 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5636} ( segid " " and resid 68 and name HA) (( segid " " and resid 69 and name HB2)) 5.200 0.800 0.800 peak 5636 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5638} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 45 and name HD1%)) 3.500 1.000 1.000 peak 5638 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 5639} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 45 and name HD2%)) 4.500 1.000 1.000 peak 5639 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 ASSI { 3} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H42A)) 2.700 0.900 0.900 peak 3 spectrum 1 weight 0.11000E+01 volume 0.68385E-02 ppm1 1.062 ppm2 3.433 CV 1 OR { 3} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H42B)) ASSI { 5} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H28B)) 2.400 0.700 0.700 peak 5 spectrum 1 weight 0.11000E+01 volume 0.90932E-02 ppm1 0.948 ppm2 3.907 CV 1 ASSI { 6} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H28A)) 2.400 0.700 0.700 peak 5 spectrum 1 weight 0.11000E+01 volume 0.90932E-02 ppm1 0.948 ppm2 3.907 CV 1 ASSI { 8} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H28B)) 2.900 1.000 1.000 peak 8 spectrum 1 weight 0.11000E+01 volume 0.36003E-02 ppm1 1.060 ppm2 3.906 CV 1 ASSI { 9} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H28A)) 2.900 1.100 1.100 peak 9 spectrum 1 weight 0.11000E+01 volume 0.37742E-02 ppm1 1.060 ppm2 3.894 CV 1 ASSI { 10} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H32A)) 2.900 1.100 1.100 peak 10 spectrum 1 weight 0.11000E+01 volume 0.10457E-01 ppm1 0.947 ppm2 4.129 CV 1 ASSI { 11} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H32A)) 2.500 0.800 0.800 peak 11 spectrum 1 weight 0.11000E+01 volume 0.20284E-01 ppm1 1.061 ppm2 4.129 CV 1 ASSI { 12} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H36A)) 2.800 1.200 1.200 peak 12 spectrum 1 weight 0.11000E+01 volume 0.20284E-01 ppm1 1.061 ppm2 4.129 CV 1 ASSI { 13} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H36A)) 2.800 1.200 1.200 peak 13 spectrum 1 weight 0.11000E+01 volume 0.20284E-01 ppm1 1.061 ppm2 4.129 CV 1 ASSI { 14} ( segid " " and resid 42 and name H38A) (( segid " " and resid 42 and name H36A)) 2.800 1.200 1.200 peak 14 spectrum 1 weight 0.11000E+01 volume 0.20284E-01 ppm1 1.061 ppm2 4.129 CV 1 OR { 14} ( segid " " and resid 42 and name H38B) (( segid " " and resid 42 and name H36A)) ASSI { 16} (( segid " " and resid 42 and name H5B )) (( segid " " and resid 42 and name H7A )) 2.800 1.000 1.000 peak 16 spectrum 1 weight 0.11000E+01 volume 0.74873E-02 ppm1 2.898 ppm2 7.230 CV 1 OR { 16} (( segid " " and resid 42 and name H5A )) (( segid " " and resid 42 and name H11A)) OR { 16} (( segid " " and resid 42 and name H5B )) (( segid " " and resid 42 and name H11A)) OR { 16} (( segid " " and resid 42 and name H5A )) (( segid " " and resid 42 and name H7A )) ASSI { 18} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H37B)) 2.700 0.900 0.900 peak 18 spectrum 1 weight 0.11000E+01 volume 0.59037E-02 ppm1 2.583 ppm2 3.615 CV 1 OR { 18} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H37A)) OR { 18} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H37A)) OR { 18} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H37B)) ASSI { 21} (( segid " " and resid 42 and name H43A )) (( segid " " and resid 42 and name H41A )) 3.500 1.800 1.800 peak 21 spectrum 1 weight 0.11000E+01 volume 0.13265E-01 ppm1 7.238 ppm2 2.900 CV 1 OR { 21} (( segid " " and resid 42 and name H43B )) (( segid " " and resid 42 and name H41A )) ASSI { 27} (( segid " " and resid 42 and name H7A )) (( segid " " and resid 42 and name H5B )) 2.500 0.800 0.800 peak 27 spectrum 1 weight 0.11000E+01 volume 0.13265E-01 ppm1 7.238 ppm2 2.900 CV 1 OR { 27} (( segid " " and resid 42 and name H7A )) (( segid " " and resid 42 and name H5A )) ASSI { 31} (( segid " " and resid 42 and name H5B )) (( segid " " and resid 42 and name H8A )) 4.100 2.100 1.900 peak 31 spectrum 1 weight 0.11000E+01 volume 0.23668E-02 ppm1 2.897 ppm2 7.287 CV 1 OR { 31} (( segid " " and resid 42 and name H5A )) (( segid " " and resid 42 and name H8A )) ASSI { 32} (( segid " " and resid 42 and name H38A )) (( segid " " and resid 42 and name H36A )) 3.100 2.100 1.900 peak 32 spectrum 1 weight 0.11000E+01 volume 0.23668E-02 ppm1 2.897 ppm2 7.287 CV 1 OR { 32} (( segid " " and resid 42 and name H38B )) (( segid " " and resid 42 and name H36A )) ASSI { 36} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H31%) 2.800 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.60979E-02 ppm1 3.898 ppm2 1.064 CV 1 OR { 36} (( segid " " and resid 42 and name H28A)) ( segid " " and resid 42 and name H30%) ASSI { 37} (( segid " " and resid 42 and name H42A)) ( segid " " and resid 42 and name H31%) 2.500 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.11621E-01 ppm1 3.427 ppm2 1.064 CV 1 ASSI { 40} (( segid " " and resid 42 and name H28A)) ( segid " " and resid 42 and name H30%) 2.700 0.900 0.900 peak 40 spectrum 1 weight 0.11000E+01 volume 0.16480E-01 ppm1 3.899 ppm2 0.949 CV 1 ASSI { 41} (( segid " " and resid 42 and name H42B)) ( segid " " and resid 42 and name H30%) 2.100 0.600 0.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.18394E-01 ppm1 3.427 ppm2 0.949 CV 1 ASSI { 49} (( segid " " and resid 42 and name H28B)) (( segid " " and resid 42 and name H42B)) 3.200 1.200 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.25962E-01 ppm1 3.900 ppm2 3.418 CV 1 OR { 49} (( segid " " and resid 42 and name H28B)) (( segid " " and resid 42 and name H42A)) OR { 49} (( segid " " and resid 42 and name H28A)) (( segid " " and resid 42 and name H42B)) OR { 49} (( segid " " and resid 42 and name H28A)) (( segid " " and resid 42 and name H42A))
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