NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
14373 | 1wlp | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 226} (( segid " " and resid 160 and name HB )) (( segid " " and resid 160 and name HA )) 2.500 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.49765E-02 ppm1 4.007 ppm2 5.631 CV 1 ASSI { 227} (( segid " " and resid 160 and name HB )) (( segid " " and resid 184 and name HA )) 4.000 2.000 2.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.12039E-02 ppm1 4.008 ppm2 5.099 CV 1 ASSI { 229} (( segid " " and resid 160 and name HB )) (( segid " " and resid 184 and name HG2 )) 4.700 2.800 1.300 peak 229 spectrum 1 weight 0.10000E+01 volume 0.72323E-03 ppm1 4.006 ppm2 2.040 CV 1 ASSI { 230} (( segid " " and resid 160 and name HB )) (( segid " " and resid 213 and name HB3 )) 3.000 1.100 1.100 peak 230 spectrum 1 weight 0.10000E+01 volume 0.12123E-02 ppm1 4.006 ppm2 1.505 CV 1 ASSI { 232} (( segid " " and resid 160 and name HB )) ( segid " " and resid 182 and name HG2%) 2.600 0.900 0.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.46305E-02 ppm1 4.007 ppm2 0.922 CV 1 ASSI { 233} (( segid " " and resid 160 and name HB )) ( segid " " and resid 213 and name HD1%) 2.600 0.900 0.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.48426E-02 ppm1 4.007 ppm2 0.856 CV 1 OR { 233} (( segid " " and resid 160 and name HB )) ( segid " " and resid 213 and name HD2%) ASSI { 234} (( segid " " and resid 272 and name HB )) (( segid " " and resid 272 and name HA )) 2.200 0.600 0.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.52428E-02 ppm1 3.912 ppm2 5.598 CV 1 ASSI { 235} (( segid " " and resid 272 and name HB )) (( segid " " and resid 267 and name HA )) 4.100 2.100 1.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.13044E-02 ppm1 3.912 ppm2 5.362 CV 1 ASSI { 236} (( segid " " and resid 272 and name HB )) (( segid " " and resid 271 and name HA )) 4.900 3.000 1.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.56960E-03 ppm1 3.914 ppm2 4.355 CV 1 ASSI { 239} (( segid " " and resid 272 and name HB )) (( segid " " and resid 267 and name HG2 )) 4.200 2.200 1.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.90168E-03 ppm1 3.914 ppm2 1.463 CV 1 OR { 239} (( segid " " and resid 272 and name HB )) (( segid " " and resid 267 and name HG3 )) ASSI { 382} (( segid " " and resid 238 and name HB )) (( segid " " and resid 238 and name HA )) 2.800 1.000 1.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.28824E-02 ppm1 3.625 ppm2 4.295 CV 1 ASSI { 494} (( segid " " and resid 179 and name HB )) (( segid " " and resid 165 and name HA )) 3.800 1.800 1.800 peak 494 spectrum 1 weight 0.10000E+01 volume 0.98471E-03 ppm1 3.780 ppm2 4.434 CV 1 ASSI { 496} (( segid " " and resid 179 and name HB )) (( segid " " and resid 179 and name HA )) 2.700 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.39551E-02 ppm1 3.779 ppm2 3.112 CV 1 ASSI { 497} (( segid " " and resid 179 and name HB )) ( segid " " and resid 163 and name HB% ) 4.400 2.400 1.600 peak 497 spectrum 1 weight 0.10000E+01 volume 0.47436E-03 ppm1 3.779 ppm2 1.657 CV 1 ASSI { 697} (( segid " " and resid 179 and name HA )) (( segid " " and resid 165 and name HA )) 3.400 1.400 1.400 peak 697 spectrum 1 weight 0.10000E+01 volume 0.99783E-03 ppm1 3.110 ppm2 4.431 CV 1 ASSI { 795} (( segid " " and resid 178 and name HB3 )) (( segid " " and resid 178 and name HA )) 2.600 0.900 0.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.39188E-02 ppm1 3.794 ppm2 5.300 CV 1 ASSI { 796} (( segid " " and resid 178 and name HB3 )) (( segid " " and resid 166 and name HA )) 4.200 2.200 1.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.68677E-03 ppm1 3.796 ppm2 4.785 CV 1 ASSI { 797} (( segid " " and resid 178 and name HB3 )) (( segid " " and resid 178 and name HB2 )) 1.800 0.400 0.400 peak 797 spectrum 1 weight 0.10000E+01 volume 0.13705E-01 ppm1 3.794 ppm2 3.648 CV 1 ASSI { 798} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 178 and name HA )) 2.700 0.900 0.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.33580E-02 ppm1 3.649 ppm2 5.300 CV 1 ASSI { 799} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 166 and name HA )) 4.300 2.400 1.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.61708E-03 ppm1 3.648 ppm2 4.799 CV 1 ASSI { 827} (( segid " " and resid 230 and name HA )) (( segid " " and resid 230 and name HB3 )) 2.400 0.700 0.700 peak 827 spectrum 1 weight 0.10000E+01 volume 0.47748E-02 ppm1 5.002 ppm2 2.284 CV 1 OR { 827} (( segid " " and resid 230 and name HA )) (( segid " " and resid 230 and name HG3 )) ASSI { 871} (( segid " " and resid 189 and name HB3 )) (( segid " " and resid 204 and name HZ3 )) 3.500 1.500 1.500 peak 871 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 4.783 ppm2 7.179 CV 1 OR { 871} (( segid " " and resid 189 and name HB3 )) (( segid " " and resid 204 and name HH2 )) ASSI { 874} (( segid " " and resid 189 and name HB3 )) (( segid " " and resid 189 and name HB2 )) 2.100 0.500 0.500 peak 874 spectrum 1 weight 0.10000E+01 volume 0.61455E-02 ppm1 4.782 ppm2 4.308 CV 1 ASSI { 896} (( segid " " and resid 189 and name HB2 )) (( segid " " and resid 204 and name HZ3 )) 3.100 1.200 1.200 peak 896 spectrum 1 weight 0.10000E+01 volume 0.12331E-02 ppm1 4.304 ppm2 7.177 CV 1 OR { 896} (( segid " " and resid 189 and name HB2 )) (( segid " " and resid 204 and name HH2 )) ASSI { 900} (( segid " " and resid 189 and name HB2 )) (( segid " " and resid 188 and name HA )) 3.800 1.800 1.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.78582E-03 ppm1 4.310 ppm2 4.170 CV 1 ASSI { 907} (( segid " " and resid 173 and name HB3 )) (( segid " " and resid 204 and name HD1 )) 3.300 1.400 1.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.14884E-02 ppm1 4.162 ppm2 7.466 CV 1 ASSI { 910} (( segid " " and resid 173 and name HB3 )) (( segid " " and resid 173 and name HA )) 2.500 0.800 0.800 peak 910 spectrum 1 weight 0.10000E+01 volume 0.45627E-02 ppm1 4.162 ppm2 4.816 CV 1 ASSI { 912} (( segid " " and resid 173 and name HB3 )) (( segid " " and resid 173 and name HB2 )) 1.900 0.500 0.500 peak 912 spectrum 1 weight 0.10000E+01 volume 0.10397E-01 ppm1 4.160 ppm2 4.042 CV 1 ASSI { 918} (( segid " " and resid 246 and name HB3 )) (( segid " " and resid 246 and name HB2 )) 2.100 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.53957E-02 ppm1 4.077 ppm2 3.869 CV 1 ASSI { 921} (( segid " " and resid 255 and name HA )) (( segid " " and resid 266 and name HA )) 2.600 0.900 0.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.22386E-02 ppm1 4.061 ppm2 5.264 CV 1 ASSI { 922} (( segid " " and resid 255 and name HA )) (( segid " " and resid 255 and name HB )) 3.100 1.200 1.200 peak 922 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 4.059 ppm2 1.835 CV 1 ASSI { 923} (( segid " " and resid 255 and name HA )) (( segid " " and resid 266 and name HB )) 3.500 1.500 1.500 peak 923 spectrum 1 weight 0.10000E+01 volume 0.99887E-03 ppm1 4.057 ppm2 1.667 CV 1 ASSI { 932} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 204 and name HD1 )) 3.100 1.200 1.200 peak 932 spectrum 1 weight 0.10000E+01 volume 0.13420E-02 ppm1 4.044 ppm2 7.461 CV 1 ASSI { 1058} (( segid " " and resid 240 and name HA )) ( segid " " and resid 240 and name HG2%) 2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.66905E-02 ppm1 4.035 ppm2 1.091 CV 1 ASSI { 1059} (( segid " " and resid 240 and name HA )) ( segid " " and resid 240 and name HG1%) 2.600 0.800 0.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.58814E-02 ppm1 4.036 ppm2 0.964 CV 1 ASSI { 1085} (( segid " " and resid 212 and name HA )) ( segid " " and resid 161 and name HD% ) 3.000 1.100 1.100 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.15572E-02 ppm1 3.635 ppm2 6.842 CV 1 OR { 1085} (( segid " " and resid 212 and name HA )) ( segid " " and resid 161 and name HE% ) ASSI { 1086} (( segid " " and resid 212 and name HA )) (( segid " " and resid 211 and name HA )) 4.000 2.000 2.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.51076E-03 ppm1 3.633 ppm2 5.262 CV 1 ASSI { 1087} (( segid " " and resid 212 and name HA )) (( segid " " and resid 161 and name HA )) 2.800 1.000 1.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.32992E-02 ppm1 3.628 ppm2 5.006 CV 1 ASSI { 1088} (( segid " " and resid 212 and name HA )) (( segid " " and resid 212 and name HB2 )) 3.100 1.200 1.200 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.23832E-02 ppm1 3.630 ppm2 1.772 CV 1 ASSI { 1089} (( segid " " and resid 212 and name HA )) (( segid " " and resid 213 and name HB2 )) 4.400 2.500 1.600 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.70111E-03 ppm1 3.630 ppm2 1.358 CV 1 ASSI { 1134} (( segid " " and resid 185 and name HA )) (( segid " " and resid 196 and name HA )) 2.400 0.700 0.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.32442E-02 ppm1 4.231 ppm2 5.321 CV 1 ASSI { 1135} (( segid " " and resid 185 and name HA )) (( segid " " and resid 196 and name HB2 )) 3.900 1.900 1.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.73372E-03 ppm1 4.235 ppm2 2.505 CV 1 ASSI { 1138} (( segid " " and resid 185 and name HA )) (( segid " " and resid 196 and name HB3 )) 3.200 1.300 1.300 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.78631E-03 ppm1 4.230 ppm2 2.618 CV 1 ASSI { 1205} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG3 )) 3.200 1.300 1.300 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.34598E-02 ppm1 4.490 ppm2 2.056 CV 1 ASSI { 1206} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HG3 )) 4.400 2.400 1.600 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.53536E-03 ppm1 4.493 ppm2 0.966 CV 1 ASSI { 1222} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB3 )) 2.400 0.700 0.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.52912E-02 ppm1 4.255 ppm2 1.962 CV 1 ASSI { 1223} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.700 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.47160E-02 ppm1 4.254 ppm2 1.811 CV 1 ASSI { 1236} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB3 )) 2.700 0.900 0.900 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.22645E-02 ppm1 3.823 ppm2 1.836 CV 1 ASSI { 1237} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HD2 )) 3.900 1.900 1.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.64915E-03 ppm1 3.824 ppm2 1.009 CV 1 ASSI { 1238} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 3.200 1.300 1.300 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.21818E-02 ppm1 3.823 ppm2 0.713 CV 1 ASSI { 1239} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HG2 )) 4.200 2.300 1.800 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.76723E-03 ppm1 3.822 ppm2 -0.582 CV 1 ASSI { 1277} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HB )) 3.000 1.100 1.100 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.13631E-02 ppm1 4.931 ppm2 1.965 CV 1 ASSI { 1278} (( segid " " and resid 182 and name HA )) (( segid " " and resid 162 and name HB2 )) 3.700 1.700 1.700 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.89232E-03 ppm1 4.928 ppm2 1.545 CV 1 ASSI { 1298} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HD2 )) 4.000 2.000 2.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.50054E-03 ppm1 4.422 ppm2 3.639 CV 1 ASSI { 1299} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HD3 )) 2.800 1.000 1.000 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 4.420 ppm2 3.190 CV 1 ASSI { 1300} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HD2 )) 3.200 1.300 1.300 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.13369E-02 ppm1 4.422 ppm2 3.036 CV 1 ASSI { 1315} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HD3 )) 2.700 0.900 0.900 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.16855E-02 ppm1 4.271 ppm2 3.195 CV 1 ASSI { 1317} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB3 )) 2.600 0.800 0.800 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.24891E-02 ppm1 4.263 ppm2 1.775 CV 1 ASSI { 1318} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 3.400 1.400 1.400 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.15329E-02 ppm1 4.262 ppm2 1.296 CV 1 ASSI { 1320} (( segid " " and resid 206 and name HA )) (( segid " " and resid 193 and name HE3 )) 3.400 1.400 1.400 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.71703E-03 ppm1 3.998 ppm2 7.176 CV 1 ASSI { 1323} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HB3 )) 2.900 1.000 1.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.12417E-02 ppm1 3.996 ppm2 1.685 CV 1 ASSI { 1325} (( segid " " and resid 206 and name HA )) (( segid " " and resid 13 and name HB2 )) 4.100 2.100 1.900 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.50122E-03 ppm1 3.996 ppm2 -0.088 CV 1 ASSI { 1337} (( segid " " and resid 276 and name HA )) (( segid " " and resid 263 and name HA )) 2.700 0.900 0.900 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.16331E-02 ppm1 3.452 ppm2 4.528 CV 1 ASSI { 1341} (( segid " " and resid 276 and name HA )) (( segid " " and resid 276 and name HG3 )) 3.000 1.100 1.100 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.16702E-02 ppm1 3.454 ppm2 0.219 CV 1 OR { 1341} (( segid " " and resid 276 and name HA )) (( segid " " and resid 276 and name HB2 )) ASSI { 1342} (( segid " " and resid 276 and name HA )) (( segid " " and resid 276 and name HG2 )) 4.300 2.300 1.700 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.57245E-03 ppm1 3.455 ppm2 -0.390 CV 1 ASSI { 1409} (( segid " " and resid 13 and name HA )) (( segid " " and resid 193 and name HZ2 )) 3.300 1.400 1.400 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.87735E-03 ppm1 3.948 ppm2 7.168 CV 1 ASSI { 1411} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HD2 )) 3.100 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.90245E-03 ppm1 3.947 ppm2 2.801 CV 1 ASSI { 1451} (( segid " " and resid 234 and name HA )) (( segid " " and resid 249 and name HA )) 3.600 1.600 1.600 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.70645E-03 ppm1 4.444 ppm2 3.276 CV 1 ASSI { 1452} (( segid " " and resid 234 and name HA )) (( segid " " and resid 234 and name HB )) 2.300 0.700 0.700 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.65485E-02 ppm1 4.444 ppm2 2.082 CV 1 ASSI { 1453} (( segid " " and resid 234 and name HA )) (( segid " " and resid 249 and name HB3 )) 3.800 1.800 1.800 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.11061E-02 ppm1 4.444 ppm2 1.839 CV 1 OR { 1453} (( segid " " and resid 234 and name HA )) (( segid " " and resid 249 and name HB2 )) ASSI { 1455} (( segid " " and resid 234 and name HA )) ( segid " " and resid 234 and name HG2%) 2.300 0.600 0.600 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.91285E-02 ppm1 4.442 ppm2 0.883 CV 1 ASSI { 1459} (( segid " " and resid 164 and name HA )) (( segid " " and resid 165 and name HA )) 2.700 2.700 3.300 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.42604E-02 ppm1 4.364 ppm2 4.432 CV 1 ASSI { 1461} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB )) 2.500 0.800 0.800 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.50325E-02 ppm1 4.364 ppm2 2.080 CV 1 ASSI { 1469} (( segid " " and resid 238 and name HA )) (( segid " " and resid 246 and name HA )) 2.700 0.900 0.900 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.28862E-02 ppm1 4.297 ppm2 5.512 CV 1 ASSI { 1471} (( segid " " and resid 238 and name HA )) (( segid " " and resid 246 and name HB3 )) 3.000 1.200 1.200 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 4.297 ppm2 4.089 CV 1 ASSI { 1472} (( segid " " and resid 238 and name HA )) (( segid " " and resid 246 and name HB2 )) 3.100 1.200 1.200 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.17057E-02 ppm1 4.295 ppm2 3.885 CV 1 ASSI { 1488} (( segid " " and resid 277 and name HA )) (( segid " " and resid 277 and name HB3 )) 2.900 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.20734E-02 ppm1 2.641 ppm2 1.518 CV 1 ASSI { 1494} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB3 )) 2.800 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.15365E-02 ppm1 2.312 ppm2 1.016 CV 1 ASSI { 1515} (( segid " " and resid 160 and name HA )) (( segid " " and resid 184 and name HA )) 2.500 0.800 0.800 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.34519E-02 ppm1 5.632 ppm2 5.102 CV 1 ASSI { 1516} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HA )) 4.300 2.300 1.700 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.46120E-03 ppm1 5.632 ppm2 4.399 CV 1 ASSI { 1518} (( segid " " and resid 160 and name HA )) (( segid " " and resid 184 and name HG3 )) 3.500 1.500 1.500 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.82068E-03 ppm1 5.629 ppm2 2.340 CV 1 ASSI { 1519} (( segid " " and resid 160 and name HA )) (( segid " " and resid 184 and name HG2 )) 3.800 1.800 1.800 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 5.630 ppm2 2.047 CV 1 ASSI { 1554} (( segid " " and resid 191 and name HA )) (( segid " " and resid 191 and name HB3 )) 2.600 0.800 0.800 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.45288E-02 ppm1 3.808 ppm2 4.040 CV 1 OR { 1554} (( segid " " and resid 191 and name HA )) (( segid " " and resid 191 and name HB2 )) ASSI { 1555} (( segid " " and resid 191 and name HA )) (( segid " " and resid 278 and name HB3 )) 3.400 3.400 2.600 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.85012E-03 ppm1 3.809 ppm2 1.934 CV 1 ASSI { 1556} (( segid " " and resid 191 and name HA )) (( segid " " and resid 278 and name HB2 )) 4.200 2.200 1.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.89178E-03 ppm1 3.805 ppm2 1.313 CV 1 ASSI { 1560} (( segid " " and resid 277 and name HA )) (( segid " " and resid 280 and name HB3 )) 4.300 2.300 1.700 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.72304E-03 ppm1 2.644 ppm2 1.792 CV 1 ASSI { 1561} (( segid " " and resid 277 and name HA )) (( segid " " and resid 277 and name HB2 )) 2.900 1.000 1.000 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.18907E-02 ppm1 2.643 ppm2 1.148 CV 1 ASSI { 1592} (( segid " " and resid 272 and name HA )) (( segid " " and resid 267 and name HA )) 2.100 0.600 0.600 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.41897E-02 ppm1 5.599 ppm2 5.360 CV 1 ASSI { 1593} (( segid " " and resid 272 and name HA )) (( segid " " and resid 271 and name HA )) 4.200 2.200 1.800 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.53052E-03 ppm1 5.601 ppm2 4.364 CV 1 ASSI { 1595} (( segid " " and resid 272 and name HA )) (( segid " " and resid 267 and name HB3 )) 4.100 2.100 1.900 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.81458E-03 ppm1 5.601 ppm2 1.835 CV 1 ASSI { 1596} (( segid " " and resid 272 and name HA )) (( segid " " and resid 267 and name HB2 )) 2.900 1.100 1.100 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.15652E-02 ppm1 5.600 ppm2 1.448 CV 1 OR { 1596} (( segid " " and resid 272 and name HA )) (( segid " " and resid 267 and name HG3 )) ASSI { 1606} (( segid " " and resid 256 and name HA )) (( segid " " and resid 226 and name HA )) 3.500 1.600 1.600 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.73222E-03 ppm1 4.558 ppm2 4.087 CV 1 ASSI { 1607} (( segid " " and resid 256 and name HA )) (( segid " " and resid 272 and name HB )) 4.300 2.300 1.700 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.91131E-03 ppm1 4.556 ppm2 3.898 CV 1 ASSI { 1609} (( segid " " and resid 256 and name HA )) ( segid " " and resid 272 and name HG2%) 4.400 2.400 1.600 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 4.560 ppm2 1.058 CV 1 ASSI { 1643} (( segid " " and resid 277 and name HB3 )) (( segid " " and resid 277 and name HB2 )) 2.300 0.700 0.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.27994E-02 ppm1 1.520 ppm2 1.150 CV 1 ASSI { 1644} (( segid " " and resid 277 and name HB3 )) (( segid " " and resid 280 and name HG )) 4.300 2.300 1.700 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.57837E-03 ppm1 1.521 ppm2 0.638 CV 1 ASSI { 1654} (( segid " " and resid 277 and name HB2 )) (( segid " " and resid 280 and name HG )) 4.300 2.300 1.700 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.50922E-03 ppm1 1.156 ppm2 0.637 CV 1 ASSI { 1668} (( segid " " and resid 274 and name HA )) ( segid " " and resid 245 and name HG1%) 3.700 3.700 2.300 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.91565E-03 ppm1 5.748 ppm2 0.790 CV 1 ASSI { 1671} (( segid " " and resid 232 and name HA )) (( segid " " and resid 252 and name HA )) 2.200 0.600 0.600 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.57349E-02 ppm1 5.155 ppm2 5.016 CV 1 ASSI { 1678} (( segid " " and resid 253 and name HA )) (( segid " " and resid 268 and name HA )) 3.300 1.300 1.300 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.94618E-03 ppm1 4.865 ppm2 4.620 CV 1 ASSI { 1679} (( segid " " and resid 253 and name HA )) (( segid " " and resid 253 and name HB )) 2.600 0.800 0.800 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.37501E-02 ppm1 4.865 ppm2 2.066 CV 1 ASSI { 1681} (( segid " " and resid 253 and name HA )) ( segid " " and resid 252 and name HB% ) 3.300 1.400 1.400 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.14385E-02 ppm1 4.866 ppm2 1.467 CV 1 ASSI { 1684} (( segid " " and resid 253 and name HA )) ( segid " " and resid 247 and name HD1%) 4.000 2.000 2.000 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.17049E-02 ppm1 4.864 ppm2 0.619 CV 1 ASSI { 1698} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HB3 )) 2.700 0.900 0.900 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.31385E-02 ppm1 4.022 ppm2 3.867 CV 1 ASSI { 1699} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HB2 )) 2.700 0.900 0.900 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.36549E-02 ppm1 4.022 ppm2 3.784 CV 1 ASSI { 1700} (( segid " " and resid 208 and name HA )) (( segid " " and resid 261 and name HB3 )) 3.500 1.500 1.500 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.11812E-02 ppm1 4.021 ppm2 3.019 CV 1 ASSI { 1702} (( segid " " and resid 208 and name HA )) ( segid " " and resid 207 and name HB% ) 4.000 2.000 2.000 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.50059E-03 ppm1 4.021 ppm2 -0.348 CV 1 ASSI { 1742} (( segid " " and resid 274 and name HA )) ( segid " " and resid 274 and name HD% ) 3.000 3.000 3.000 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.12000E-02 ppm1 5.755 ppm2 7.056 CV 1 ASSI { 1744} (( segid " " and resid 274 and name HA )) (( segid " " and resid 265 and name HA )) 2.700 0.900 0.900 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.18287E-02 ppm1 5.752 ppm2 4.318 CV 1 ASSI { 1745} (( segid " " and resid 274 and name HA )) (( segid " " and resid 274 and name HB3 )) 3.000 1.200 1.200 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.10284E-02 ppm1 5.751 ppm2 3.198 CV 1 ASSI { 1746} (( segid " " and resid 274 and name HA )) (( segid " " and resid 274 and name HB2 )) 3.300 1.400 1.400 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 5.754 ppm2 2.735 CV 1 ASSI { 1747} (( segid " " and resid 274 and name HA )) ( segid " " and resid 265 and name HG1%) 3.900 1.900 1.900 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.95554E-03 ppm1 5.751 ppm2 0.838 CV 1 ASSI { 1757} (( segid " " and resid 237 and name HA )) ( segid " " and resid 237 and name HD% ) 3.000 1.100 1.100 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.20880E-02 ppm1 4.690 ppm2 7.338 CV 1 ASSI { 1758} (( segid " " and resid 237 and name HA )) ( segid " " and resid 237 and name HE% ) 4.200 2.200 1.800 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.76537E-03 ppm1 4.693 ppm2 6.977 CV 1 ASSI { 1762} (( segid " " and resid 237 and name HA )) (( segid " " and resid 237 and name HB3 )) 3.300 1.400 1.400 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.15516E-02 ppm1 4.691 ppm2 3.216 CV 1 ASSI { 1763} (( segid " " and resid 237 and name HA )) (( segid " " and resid 237 and name HB2 )) 2.700 0.900 0.900 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.22091E-02 ppm1 4.689 ppm2 3.003 CV 1 ASSI { 1806} (( segid " " and resid 251 and name HA )) (( segid " " and resid 251 and name HB3 )) 2.300 0.700 0.700 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.62649E-02 ppm1 4.160 ppm2 2.086 CV 1 OR { 1806} (( segid " " and resid 251 and name HA )) (( segid " " and resid 251 and name HG2 )) ASSI { 1807} (( segid " " and resid 251 and name HA )) ( segid " " and resid 252 and name HB% ) 4.100 2.100 1.900 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.13914E-02 ppm1 4.163 ppm2 1.474 CV 1 ASSI { 1809} (( segid " " and resid 19 and name HA )) ( segid " " and resid 18 and name HB% ) 3.400 1.400 1.400 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.12306E-02 ppm1 4.005 ppm2 1.312 CV 1 ASSI { 1812} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG2 )) 2.700 0.900 0.900 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.51207E-02 ppm1 4.002 ppm2 2.249 CV 1 ASSI { 1813} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB3 )) 2.500 0.800 0.800 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.60989E-02 ppm1 4.001 ppm2 1.972 CV 1 ASSI { 1814} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) 2.500 0.800 0.800 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.58045E-02 ppm1 4.001 ppm2 1.841 CV 1 ASSI { 1821} (( segid " " and resid 249 and name HA )) ( segid " " and resid 248 and name HD1%) 4.100 2.100 1.900 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.70007E-03 ppm1 3.291 ppm2 0.876 CV 1 OR { 1821} (( segid " " and resid 249 and name HA )) ( segid " " and resid 248 and name HD2%) ASSI { 1825} (( segid " " and resid 249 and name HA )) (( segid " " and resid 249 and name HG2 )) 2.500 0.800 0.800 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.48150E-02 ppm1 3.286 ppm2 2.001 CV 1 OR { 1825} (( segid " " and resid 249 and name HA )) (( segid " " and resid 249 and name HG3 )) ASSI { 1826} (( segid " " and resid 249 and name HA )) (( segid " " and resid 249 and name HB2 )) 2.500 0.800 0.800 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.55404E-02 ppm1 3.287 ppm2 1.829 CV 1 OR { 1826} (( segid " " and resid 249 and name HA )) (( segid " " and resid 249 and name HB3 )) ASSI { 1857} (( segid " " and resid 266 and name HA )) (( segid " " and resid 266 and name HB )) 2.800 1.000 1.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.14554E-02 ppm1 5.265 ppm2 1.669 CV 1 ASSI { 1859} (( segid " " and resid 266 and name HA )) (( segid " " and resid 266 and name HG13)) 3.700 1.700 1.700 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.48878E-03 ppm1 5.261 ppm2 1.347 CV 1 ASSI { 1861} (( segid " " and resid 266 and name HA )) ( segid " " and resid 255 and name HG1%) 3.400 1.400 1.400 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.16390E-02 ppm1 5.262 ppm2 0.593 CV 1 ASSI { 1875} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HB )) 2.700 0.900 0.900 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.30023E-02 ppm1 4.992 ppm2 1.944 CV 1 ASSI { 1877} (( segid " " and resid 183 and name HA )) ( segid " " and resid 183 and name HG1%) 2.600 0.900 0.900 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.41885E-02 ppm1 4.994 ppm2 0.803 CV 1 OR { 1877} (( segid " " and resid 183 and name HA )) ( segid " " and resid 183 and name HG2%) ASSI { 1886} (( segid " " and resid 173 and name HA )) (( segid " " and resid 204 and name HD1 )) 4.000 2.000 2.000 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.67334E-03 ppm1 4.815 ppm2 7.464 CV 1 ASSI { 1890} (( segid " " and resid 173 and name HA )) (( segid " " and resid 173 and name HB2 )) 2.600 0.800 0.800 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.58737E-02 ppm1 4.816 ppm2 4.038 CV 1 ASSI { 1893} (( segid " " and resid 167 and name HA )) ( segid " " and resid 167 and name HD% ) 3.200 1.300 1.300 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.14408E-02 ppm1 4.749 ppm2 6.908 CV 1 ASSI { 1896} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB3 )) 3.200 1.300 1.300 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.17667E-02 ppm1 4.752 ppm2 2.699 CV 1 ASSI { 1897} (( segid " " and resid 167 and name HA )) (( segid " " and resid 177 and name HB3 )) 4.000 2.000 2.000 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.67438E-03 ppm1 4.751 ppm2 1.803 CV 1 ASSI { 1935} (( segid " " and resid 209 and name HA )) (( segid " " and resid 209 and name HB3 )) 3.000 1.100 1.100 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 4.207 ppm2 3.223 CV 1 ASSI { 1936} (( segid " " and resid 209 and name HA )) (( segid " " and resid 209 and name HB2 )) 3.300 1.400 1.400 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 4.207 ppm2 2.856 CV 1 ASSI { 1937} (( segid " " and resid 209 and name HA )) ( segid " " and resid 177 and name HD2%) 3.300 3.300 2.700 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.21344E-02 ppm1 4.210 ppm2 0.901 CV 1 ASSI { 1938} (( segid " " and resid 209 and name HA )) ( segid " " and resid 164 and name HD1%) 3.000 1.100 1.100 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.19435E-02 ppm1 4.209 ppm2 0.670 CV 1 ASSI { 1939} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB3 )) 2.500 0.800 0.800 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.61071E-02 ppm1 4.186 ppm2 3.887 CV 1 ASSI { 1940} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) 2.500 0.800 0.800 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.70880E-02 ppm1 4.185 ppm2 3.795 CV 1 ASSI { 1942} (( segid " " and resid 195 and name HA )) ( segid " " and resid 195 and name HD% ) 3.200 1.300 1.300 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.93478E-03 ppm1 4.087 ppm2 5.647 CV 1 ASSI { 1946} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HB3 )) 3.300 1.400 1.400 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.11646E-02 ppm1 4.085 ppm2 2.296 CV 1 ASSI { 1956} (( segid " " and resid 282 and name HA )) ( segid " " and resid 231 and name HD% ) 3.300 1.400 1.400 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.79093E-03 ppm1 2.820 ppm2 7.011 CV 1 ASSI { 1957} (( segid " " and resid 282 and name HA )) (( segid " " and resid 231 and name HA )) 2.600 0.800 0.800 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.44644E-02 ppm1 2.817 ppm2 5.109 CV 1 ASSI { 1958} (( segid " " and resid 282 and name HA )) (( segid " " and resid 282 and name HE3 )) 3.600 1.600 1.600 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.85795E-03 ppm1 2.821 ppm2 3.615 CV 1 OR { 1958} (( segid " " and resid 282 and name HA )) (( segid " " and resid 282 and name HE2 )) ASSI { 1961} (( segid " " and resid 282 and name HA )) (( segid " " and resid 282 and name HB3 )) 2.900 1.000 1.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.36079E-02 ppm1 2.817 ppm2 1.554 CV 1 OR { 1961} (( segid " " and resid 282 and name HA )) (( segid " " and resid 282 and name HD2 )) ASSI { 1965} (( segid " " and resid 282 and name HA )) ( segid " " and resid 231 and name HE% ) 3.400 1.500 1.500 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.82258E-03 ppm1 2.813 ppm2 6.886 CV 1 ASSI { 2003} (( segid " " and resid 246 and name HA )) (( segid " " and resid 246 and name HB3 )) 2.700 0.900 0.900 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.30190E-02 ppm1 5.512 ppm2 4.077 CV 1 ASSI { 2004} (( segid " " and resid 246 and name HA )) (( segid " " and resid 246 and name HB2 )) 2.700 0.900 0.900 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.25550E-02 ppm1 5.512 ppm2 3.882 CV 1 ASSI { 2007} (( segid " " and resid 205 and name HA )) (( segid " " and resid 193 and name HE3 )) 3.900 1.900 1.900 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.47752E-03 ppm1 4.990 ppm2 7.179 CV 1 ASSI { 2008} (( segid " " and resid 205 and name HA )) (( segid " " and resid 193 and name HZ3 )) 3.500 1.500 1.500 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.56141E-03 ppm1 4.988 ppm2 6.727 CV 1 ASSI { 2010} (( segid " " and resid 205 and name HA )) ( segid " " and resid 205 and name HG2%) 2.900 1.000 1.000 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.17165E-02 ppm1 4.986 ppm2 0.993 CV 1 ASSI { 2012} (( segid " " and resid 205 and name HA )) (( segid " " and resid 206 and name HD3 )) 2.800 1.000 1.000 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.12686E-02 ppm1 4.984 ppm2 2.695 CV 1 ASSI { 2013} (( segid " " and resid 205 and name HA )) (( segid " " and resid 206 and name HD2 )) 3.200 1.300 1.300 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.16058E-02 ppm1 4.985 ppm2 2.330 CV 1 ASSI { 2014} (( segid " " and resid 205 and name HA )) (( segid " " and resid 205 and name HB )) 3.100 1.200 1.200 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.14128E-02 ppm1 4.983 ppm2 1.707 CV 1 ASSI { 2059} (( segid " " and resid 204 and name HA )) (( segid " " and resid 204 and name HB3 )) 3.300 1.400 1.400 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.62084E-03 ppm1 5.324 ppm2 3.082 CV 1 ASSI { 2061} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HB2 )) 3.000 1.100 1.100 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.18107E-02 ppm1 5.322 ppm2 2.502 CV 1 ASSI { 2066} (( segid " " and resid 196 and name HA )) ( segid " " and resid 183 and name HG2%) 3.500 1.500 1.500 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.18929E-02 ppm1 5.320 ppm2 0.834 CV 1 ASSI { 2075} (( segid " " and resid 263 and name HA )) (( segid " " and resid 264 and name HD1 )) 4.100 2.100 1.900 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.46685E-03 ppm1 4.526 ppm2 7.177 CV 1 ASSI { 2076} (( segid " " and resid 263 and name HA )) (( segid " " and resid 263 and name HE3 )) 3.500 1.600 1.600 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.78844E-03 ppm1 4.527 ppm2 6.978 CV 1 ASSI { 2078} (( segid " " and resid 263 and name HA )) (( segid " " and resid 263 and name HB3 )) 3.000 1.100 1.100 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.99362E-03 ppm1 4.529 ppm2 3.119 CV 1 ASSI { 2088} (( segid " " and resid 260 and name HA )) (( segid " " and resid 260 and name HB3 )) 2.700 0.900 0.900 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.43664E-02 ppm1 4.235 ppm2 1.944 CV 1 OR { 2088} (( segid " " and resid 260 and name HA )) (( segid " " and resid 260 and name HG )) ASSI { 2089} (( segid " " and resid 260 and name HA )) (( segid " " and resid 260 and name HB2 )) 2.600 0.900 0.900 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.35360E-02 ppm1 4.234 ppm2 1.710 CV 1 ASSI { 2094} (( segid " " and resid 269 and name HA )) (( segid " " and resid 269 and name HB2 )) 2.300 0.600 0.600 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.89386E-02 ppm1 4.137 ppm2 2.894 CV 1 ASSI { 2097} (( segid " " and resid 278 and name HA )) (( segid " " and resid 191 and name HA )) 3.500 1.600 1.600 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.90068E-03 ppm1 4.030 ppm2 3.818 CV 1 ASSI { 2098} (( segid " " and resid 278 and name HA )) (( segid " " and resid 278 and name HG3 )) 3.500 1.500 1.500 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.15999E-02 ppm1 4.031 ppm2 2.079 CV 1 ASSI { 2099} (( segid " " and resid 278 and name HA )) (( segid " " and resid 278 and name HB3 )) 2.600 0.900 0.900 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.35375E-02 ppm1 4.028 ppm2 1.941 CV 1 ASSI { 2100} (( segid " " and resid 278 and name HA )) (( segid " " and resid 278 and name HB2 )) 2.700 0.900 0.900 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.33243E-02 ppm1 4.031 ppm2 1.307 CV 1 ASSI { 2126} (( segid " " and resid 178 and name HA )) (( segid " " and resid 166 and name HB3 )) 3.400 1.500 1.500 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.11572E-02 ppm1 5.300 ppm2 2.813 CV 1 ASSI { 2127} (( segid " " and resid 189 and name HA )) (( segid " " and resid 204 and name HH2 )) 3.900 3.900 2.100 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.91615E-03 ppm1 5.126 ppm2 7.164 CV 1 ASSI { 2129} (( segid " " and resid 189 and name HA )) (( segid " " and resid 189 and name HB3 )) 2.900 1.000 1.000 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.36000E-02 ppm1 5.127 ppm2 4.780 CV 1 ASSI { 2130} (( segid " " and resid 189 and name HA )) (( segid " " and resid 189 and name HB2 )) 2.500 0.800 0.800 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.49837E-02 ppm1 5.127 ppm2 4.309 CV 1 ASSI { 2131} (( segid " " and resid 189 and name HA )) (( segid " " and resid 190 and name HB2 )) 3.700 1.700 1.700 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.90173E-03 ppm1 5.125 ppm2 2.278 CV 1 OR { 2131} (( segid " " and resid 189 and name HA )) (( segid " " and resid 190 and name HB3 )) ASSI { 2132} (( segid " " and resid 231 and name HA )) ( segid " " and resid 231 and name HD% ) 3.400 1.400 1.400 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.91683E-03 ppm1 5.112 ppm2 7.026 CV 1 ASSI { 2133} (( segid " " and resid 231 and name HA )) ( segid " " and resid 231 and name HE% ) 3.900 1.900 1.900 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.76908E-03 ppm1 5.112 ppm2 6.894 CV 1 ASSI { 2134} (( segid " " and resid 231 and name HA )) (( segid " " and resid 282 and name HE3 )) 3.500 1.500 1.500 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.15264E-02 ppm1 5.112 ppm2 3.611 CV 1 OR { 2134} (( segid " " and resid 231 and name HA )) (( segid " " and resid 282 and name HE2 )) ASSI { 2138} (( segid " " and resid 231 and name HA )) (( segid " " and resid 282 and name HB3 )) 4.000 2.000 2.000 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.10052E-02 ppm1 5.113 ppm2 1.541 CV 1 OR { 2138} (( segid " " and resid 231 and name HA )) (( segid " " and resid 282 and name HD2 )) ASSI { 2140} (( segid " " and resid 231 and name HA )) ( segid " " and resid 232 and name HG2%) 3.900 1.900 1.900 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.88260E-03 ppm1 5.114 ppm2 0.807 CV 1 ASSI { 2141} (( segid " " and resid 231 and name HA )) ( segid " " and resid 255 and name HG1%) 3.800 1.800 1.800 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.10027E-02 ppm1 5.112 ppm2 0.597 CV 1 ASSI { 2142} (( segid " " and resid 231 and name HA )) ( segid " " and resid 280 and name HD2%) 4.000 2.000 2.000 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.88463E-03 ppm1 5.112 ppm2 0.528 CV 1 OR { 2142} (( segid " " and resid 231 and name HA )) ( segid " " and resid 280 and name HD1%) ASSI { 2144} (( segid " " and resid 231 and name HA )) (( segid " " and resid 282 and name HB2 )) 4.000 2.000 2.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 5.109 ppm2 1.395 CV 1 ASSI { 2145} (( segid " " and resid 161 and name HA )) ( segid " " and resid 161 and name HD% ) 3.100 1.200 1.200 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.13360E-02 ppm1 5.007 ppm2 6.836 CV 1 ASSI { 2148} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HB2 )) 3.100 1.200 1.200 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.10771E-02 ppm1 5.008 ppm2 2.653 CV 1 ASSI { 2151} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HB3 )) 2.800 1.000 1.000 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.11381E-02 ppm1 5.003 ppm2 2.916 CV 1 ASSI { 2153} (( segid " " and resid 161 and name HA )) (( segid " " and resid 212 and name HB3 )) 4.500 2.500 1.500 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.70473E-03 ppm1 5.005 ppm2 1.966 CV 1 ASSI { 2155} (( segid " " and resid 161 and name HA )) (( segid " " and resid 213 and name HB3 )) 3.400 1.400 1.400 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.15335E-02 ppm1 5.004 ppm2 1.506 CV 1 ASSI { 2156} (( segid " " and resid 161 and name HA )) (( segid " " and resid 213 and name HB2 )) 3.000 1.100 1.100 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.12056E-02 ppm1 5.002 ppm2 1.371 CV 1 ASSI { 2157} (( segid " " and resid 161 and name HA )) ( segid " " and resid 213 and name HD2%) 3.500 1.500 1.500 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.21243E-02 ppm1 5.003 ppm2 0.845 CV 1 OR { 2157} (( segid " " and resid 161 and name HA )) ( segid " " and resid 213 and name HD1%) ASSI { 2158} (( segid " " and resid 161 and name HA )) ( segid " " and resid 210 and name HD1%) 4.000 2.000 2.000 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.71540E-03 ppm1 5.000 ppm2 0.614 CV 1 ASSI { 2159} (( segid " " and resid 275 and name HA )) (( segid " " and resid 263 and name HH2 )) 4.500 2.500 1.500 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.49502E-03 ppm1 4.898 ppm2 7.031 CV 1 ASSI { 2160} (( segid " " and resid 275 and name HA )) (( segid " " and resid 275 and name HB3 )) 3.300 1.400 1.400 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.81847E-03 ppm1 4.895 ppm2 3.036 CV 1 ASSI { 2161} (( segid " " and resid 275 and name HA )) (( segid " " and resid 275 and name HB2 )) 3.200 1.300 1.300 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.71260E-03 ppm1 4.894 ppm2 2.578 CV 1 ASSI { 2162} (( segid " " and resid 275 and name HA )) (( segid " " and resid 263 and name HE3 )) 3.400 1.500 1.500 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.60754E-03 ppm1 4.891 ppm2 6.977 CV 1 ASSI { 2181} (( segid " " and resid 169 and name HA )) ( segid " " and resid 167 and name HE% ) 2.900 2.900 3.100 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.19342E-02 ppm1 4.060 ppm2 6.783 CV 1 ASSI { 2182} (( segid " " and resid 169 and name HA )) (( segid " " and resid 176 and name HA )) 3.900 1.900 1.900 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.61659E-03 ppm1 4.059 ppm2 4.607 CV 1 ASSI { 2186} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HD2 )) 3.700 1.700 1.700 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.13622E-02 ppm1 4.056 ppm2 2.111 CV 1 OR { 2186} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HD3 )) ASSI { 2187} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB3 )) 2.500 0.800 0.800 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.33365E-02 ppm1 4.060 ppm2 1.780 CV 1 ASSI { 2188} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB2 )) 2.800 1.000 1.000 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.41015E-02 ppm1 4.059 ppm2 1.638 CV 1 ASSI { 2268} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HB3 )) 2.600 0.900 0.900 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.44275E-02 ppm1 4.491 ppm2 2.735 CV 1 OR { 2268} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HB2 )) ASSI { 2272} (( segid " " and resid 181 and name HA )) ( segid " " and resid 163 and name HB% ) 3.600 1.600 1.600 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.14209E-02 ppm1 4.487 ppm2 1.670 CV 1 ASSI { 2303} (( segid " " and resid 213 and name HA )) (( segid " " and resid 213 and name HB3 )) 2.400 0.700 0.700 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.81661E-02 ppm1 4.185 ppm2 1.506 CV 1 ASSI { 2304} (( segid " " and resid 213 and name HA )) (( segid " " and resid 213 and name HB2 )) 2.400 0.700 0.700 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.43589E-02 ppm1 4.187 ppm2 1.372 CV 1 ASSI { 2305} (( segid " " and resid 213 and name HA )) ( segid " " and resid 213 and name HD2%) 2.500 0.800 0.800 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.75696E-02 ppm1 4.185 ppm2 0.844 CV 1 OR { 2305} (( segid " " and resid 213 and name HA )) ( segid " " and resid 213 and name HD1%) ASSI { 2307} (( segid " " and resid 21 and name HA )) (( segid " " and resid 18 and name HA )) 4.300 2.300 1.700 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.61080E-03 ppm1 4.118 ppm2 3.711 CV 1 ASSI { 2308} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HD3 )) 3.700 1.700 1.700 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.18993E-02 ppm1 4.116 ppm2 3.020 CV 1 ASSI { 2309} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB3 )) 2.200 0.600 0.600 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.83136E-02 ppm1 4.116 ppm2 1.723 CV 1 ASSI { 2310} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG2 )) 2.700 0.900 0.900 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.46400E-02 ppm1 4.116 ppm2 1.434 CV 1 OR { 2310} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG3 )) ASSI { 2312} (( segid " " and resid 259 and name HA )) (( segid " " and resid 190 and name HG3 )) 3.800 3.800 2.200 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.48557E-03 ppm1 3.988 ppm2 2.535 CV 1 ASSI { 2314} (( segid " " and resid 259 and name HA )) (( segid " " and resid 259 and name HB3 )) 2.900 1.000 1.000 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.14111E-02 ppm1 3.987 ppm2 2.064 CV 1 ASSI { 2315} (( segid " " and resid 259 and name HA )) (( segid " " and resid 259 and name HB2 )) 3.400 1.500 1.500 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.15352E-02 ppm1 3.988 ppm2 1.696 CV 1 ASSI { 2367} (( segid " " and resid 193 and name HA )) (( segid " " and resid 204 and name HE3 )) 4.200 2.200 1.800 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.48195E-03 ppm1 5.082 ppm2 7.535 CV 1 ASSI { 2369} (( segid " " and resid 193 and name HA )) (( segid " " and resid 206 and name HA )) 3.000 1.100 1.100 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.14855E-02 ppm1 5.080 ppm2 3.990 CV 1 ASSI { 2370} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HB3 )) 3.300 1.400 1.400 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.69804E-03 ppm1 5.082 ppm2 3.374 CV 1 ASSI { 2371} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HE3 )) 3.200 1.300 1.300 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.11711E-02 ppm1 5.078 ppm2 7.176 CV 1 ASSI { 2385} (( segid " " and resid 198 and name HA )) (( segid " " and resid 183 and name HA )) 3.200 1.300 1.300 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.13156E-02 ppm1 4.658 ppm2 4.993 CV 1 ASSI { 2388} (( segid " " and resid 198 and name HA )) (( segid " " and resid 196 and name HB2 )) 3.000 3.000 3.000 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.30751E-02 ppm1 4.660 ppm2 2.519 CV 1 ASSI { 2389} (( segid " " and resid 198 and name HA )) (( segid " " and resid 198 and name HB3 )) 2.600 0.800 0.800 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.38472E-02 ppm1 4.661 ppm2 2.301 CV 1 ASSI { 2390} (( segid " " and resid 198 and name HA )) ( segid " " and resid 198 and name HE% ) 4.000 2.000 2.000 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.13546E-02 ppm1 4.658 ppm2 2.172 CV 1 ASSI { 2391} (( segid " " and resid 198 and name HA )) (( segid " " and resid 198 and name HB2 )) 2.600 0.900 0.900 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.53170E-02 ppm1 4.659 ppm2 1.887 CV 1 ASSI { 2405} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HG2 )) 2.600 0.800 0.800 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.44624E-02 ppm1 4.483 ppm2 2.187 CV 1 OR { 2405} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HG3 )) ASSI { 2406} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HB2 )) 2.500 0.800 0.800 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.48137E-02 ppm1 4.485 ppm2 1.889 CV 1 ASSI { 2408} (( segid " " and resid 187 and name HA )) (( segid " " and resid 188 and name HG3 )) 3.900 1.900 1.900 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.55938E-03 ppm1 4.487 ppm2 0.466 CV 1 ASSI { 2431} (( segid " " and resid 188 and name HA )) (( segid " " and resid 194 and name HD1 )) 3.600 1.600 1.600 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.10778E-02 ppm1 4.182 ppm2 7.425 CV 1 ASSI { 2432} (( segid " " and resid 188 and name HA )) (( segid " " and resid 194 and name HA )) 3.100 1.200 1.200 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.13042E-02 ppm1 4.184 ppm2 5.926 CV 1 ASSI { 2433} (( segid " " and resid 188 and name HA )) (( segid " " and resid 188 and name HE3 )) 4.000 2.000 2.000 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.47983E-03 ppm1 4.183 ppm2 2.204 CV 1 ASSI { 2435} (( segid " " and resid 188 and name HA )) (( segid " " and resid 188 and name HG2 )) 3.500 1.600 1.600 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.81155E-03 ppm1 4.179 ppm2 -1.302 CV 1 ASSI { 2482} (( segid " " and resid 202 and name HA )) (( segid " " and resid 197 and name HB2 )) 4.500 2.500 1.500 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.59904E-03 ppm1 5.204 ppm2 2.211 CV 1 ASSI { 2485} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HB3 )) 2.500 0.800 0.800 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.28294E-02 ppm1 5.201 ppm2 1.661 CV 1 ASSI { 2486} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HB2 )) 2.800 1.000 1.000 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.30037E-02 ppm1 5.202 ppm2 1.535 CV 1 OR { 2486} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HG3 )) ASSI { 2495} (( segid " " and resid 235 and name HA )) (( segid " " and resid 249 and name HA )) 3.200 1.300 1.300 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.11968E-02 ppm1 4.163 ppm2 3.286 CV 1 ASSI { 2497} (( segid " " and resid 235 and name HA )) (( segid " " and resid 249 and name HG3 )) 2.700 0.900 0.900 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.30392E-02 ppm1 4.163 ppm2 2.001 CV 1 OR { 2497} (( segid " " and resid 235 and name HA )) (( segid " " and resid 249 and name HG2 )) ASSI { 2498} (( segid " " and resid 235 and name HA )) (( segid " " and resid 249 and name HB2 )) 3.300 1.300 1.300 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.22445E-02 ppm1 4.163 ppm2 1.828 CV 1 OR { 2498} (( segid " " and resid 235 and name HA )) (( segid " " and resid 249 and name HB3 )) ASSI { 2499} (( segid " " and resid 235 and name HA )) (( segid " " and resid 235 and name HG2 )) 2.300 0.600 0.600 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.63088E-02 ppm1 4.164 ppm2 1.055 CV 1 OR { 2499} (( segid " " and resid 235 and name HA )) (( segid " " and resid 235 and name HB3 )) ASSI { 2500} (( segid " " and resid 235 and name HA )) (( segid " " and resid 235 and name HB2 )) 2.700 0.900 0.900 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.37160E-02 ppm1 4.163 ppm2 0.911 CV 1 ASSI { 2505} (( segid " " and resid 18 and name HA )) (( segid " " and resid 21 and name HD2 )) 2.800 1.000 1.000 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.30362E-02 ppm1 3.705 ppm2 2.963 CV 1 ASSI { 2506} (( segid " " and resid 18 and name HA )) (( segid " " and resid 21 and name HB2 )) 3.000 1.200 1.200 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.18453E-02 ppm1 3.706 ppm2 1.609 CV 1 ASSI { 2542} (( segid " " and resid 244 and name HA )) (( segid " " and resid 274 and name HB2 )) 2.900 1.000 1.000 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.97291E-03 ppm1 5.442 ppm2 2.737 CV 1 ASSI { 2544} (( segid " " and resid 244 and name HA )) (( segid " " and resid 263 and name HE3 )) 4.000 2.000 2.000 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.80567E-03 ppm1 5.438 ppm2 6.972 CV 1 ASSI { 2546} (( segid " " and resid 244 and name HA )) (( segid " " and resid 244 and name HB2 )) 3.100 1.200 1.200 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.17903E-02 ppm1 5.437 ppm2 2.457 CV 1 ASSI { 2547} (( segid " " and resid 244 and name HA )) ( segid " " and resid 239 and name HB% ) 3.600 1.600 1.600 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.12040E-02 ppm1 5.437 ppm2 1.352 CV 1 ASSI { 2561} (( segid " " and resid 264 and name HA )) (( segid " " and resid 264 and name HD1 )) 2.600 0.900 0.900 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.19566E-02 ppm1 5.186 ppm2 7.180 CV 1 ASSI { 2562} (( segid " " and resid 264 and name HA )) (( segid " " and resid 264 and name HB2 )) 3.200 1.200 1.200 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 5.183 ppm2 2.916 CV 1 ASSI { 2564} (( segid " " and resid 264 and name HA )) ( segid " " and resid 259 and name HD2%) 4.400 2.400 1.600 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.67601E-03 ppm1 5.185 ppm2 0.563 CV 1 ASSI { 2622} (( segid " " and resid 207 and name HA )) (( segid " " and resid 194 and name HB3 )) 3.800 1.800 1.800 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.58678E-03 ppm1 2.535 ppm2 2.923 CV 1 OR { 2622} (( segid " " and resid 207 and name HA )) (( segid " " and resid 194 and name HB2 )) ASSI { 2624} (( segid " " and resid 207 and name HA )) (( segid " " and resid 210 and name HB3 )) 4.400 2.500 1.600 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.55526E-03 ppm1 2.530 ppm2 1.705 CV 1 ASSI { 2625} (( segid " " and resid 207 and name HA )) (( segid " " and resid 210 and name HB2 )) 3.000 1.200 1.200 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.88282E-03 ppm1 2.536 ppm2 1.365 CV 1 ASSI { 2660} (( segid " " and resid 267 and name HA )) (( segid " " and resid 267 and name HD3 )) 4.300 2.400 1.700 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.53518E-03 ppm1 5.360 ppm2 3.295 CV 1 ASSI { 2661} (( segid " " and resid 267 and name HA )) (( segid " " and resid 267 and name HB3 )) 3.100 1.200 1.200 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 5.363 ppm2 1.836 CV 1 ASSI { 2662} (( segid " " and resid 267 and name HA )) (( segid " " and resid 267 and name HB2 )) 2.400 0.700 0.700 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.31092E-02 ppm1 5.365 ppm2 1.447 CV 1 OR { 2662} (( segid " " and resid 267 and name HA )) (( segid " " and resid 267 and name HG2 )) OR { 2662} (( segid " " and resid 267 and name HA )) (( segid " " and resid 267 and name HG3 )) ASSI { 2675} (( segid " " and resid 264 and name HA )) ( segid " " and resid 255 and name HG1%) 4.200 2.200 1.800 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.49973E-03 ppm1 5.184 ppm2 0.622 CV 1 ASSI { 2685} (( segid " " and resid 184 and name HA )) (( segid " " and resid 184 and name HG3 )) 2.600 0.900 0.900 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.24488E-02 ppm1 5.102 ppm2 2.336 CV 1 ASSI { 2686} (( segid " " and resid 184 and name HA )) (( segid " " and resid 184 and name HG2 )) 2.900 1.000 1.000 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.40030E-02 ppm1 5.103 ppm2 2.047 CV 1 ASSI { 2687} (( segid " " and resid 184 and name HA )) (( segid " " and resid 184 and name HB2 )) 3.000 1.100 1.100 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.24329E-02 ppm1 5.104 ppm2 1.844 CV 1 ASSI { 2689} (( segid " " and resid 184 and name HA )) ( segid " " and resid 185 and name HG2%) 3.700 1.800 1.800 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.14893E-02 ppm1 5.102 ppm2 0.854 CV 1 ASSI { 2693} (( segid " " and resid 254 and name HA )) (( segid " " and resid 254 and name HB3 )) 2.800 0.900 0.900 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.44487E-02 ppm1 5.017 ppm2 2.076 CV 1 OR { 2693} (( segid " " and resid 254 and name HA )) (( segid " " and resid 254 and name HG2 )) ASSI { 2695} (( segid " " and resid 254 and name HA )) ( segid " " and resid 253 and name HG1%) 4.100 2.100 1.900 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.67945E-03 ppm1 5.018 ppm2 0.750 CV 1 ASSI { 2699} (( segid " " and resid 254 and name HA )) (( segid " " and resid 254 and name HB2 )) 2.800 1.000 1.000 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.20231E-02 ppm1 5.016 ppm2 1.649 CV 1 ASSI { 2704} (( segid " " and resid 257 and name HA )) (( segid " " and resid 257 and name HB2 )) 3.000 1.100 1.100 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.12043E-02 ppm1 4.997 ppm2 2.472 CV 1 ASSI { 2706} (( segid " " and resid 257 and name HA )) (( segid " " and resid 224 and name HA )) 2.900 1.100 1.100 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.21376E-02 ppm1 4.993 ppm2 4.096 CV 1 ASSI { 2712} (( segid " " and resid 281 and name HA )) (( segid " " and resid 281 and name HG3 )) 2.600 0.900 0.900 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.40641E-02 ppm1 4.831 ppm2 2.345 CV 1 OR { 2712} (( segid " " and resid 281 and name HA )) (( segid " " and resid 281 and name HG2 )) OR { 2712} (( segid " " and resid 281 and name HA )) (( segid " " and resid 281 and name HB3 )) ASSI { 2713} (( segid " " and resid 281 and name HA )) (( segid " " and resid 282 and name HB3 )) 4.600 2.600 1.400 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.79545E-03 ppm1 4.835 ppm2 1.553 CV 1 ASSI { 2714} (( segid " " and resid 281 and name HA )) ( segid " " and resid 234 and name HD1%) 3.400 1.500 1.500 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.18677E-02 ppm1 4.832 ppm2 0.888 CV 1 OR { 2714} (( segid " " and resid 281 and name HA )) ( segid " " and resid 234 and name HG2%) ASSI { 2720} (( segid " " and resid 281 and name HA )) (( segid " " and resid 282 and name HB2 )) 4.500 2.500 1.500 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.65417E-03 ppm1 4.830 ppm2 1.398 CV 1 ASSI { 2751} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HG2 )) 2.900 1.100 1.100 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.24800E-02 ppm1 4.319 ppm2 2.064 CV 1 OR { 2751} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HG3 )) ASSI { 2752} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HB3 )) 2.400 0.700 0.700 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.47372E-02 ppm1 4.319 ppm2 1.713 CV 1 ASSI { 2759} (( segid " " and resid 261 and name HA )) (( segid " " and resid 208 and name HB2 )) 4.200 2.200 1.800 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.47110E-03 ppm1 4.128 ppm2 3.787 CV 1 ASSI { 2761} (( segid " " and resid 261 and name HA )) (( segid " " and resid 262 and name HA2 )) 3.700 1.700 1.700 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.67104E-03 ppm1 4.126 ppm2 3.916 CV 1 ASSI { 2763} (( segid " " and resid 261 and name HA )) (( segid " " and resid 261 and name HB3 )) 3.100 1.200 1.200 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.17449E-02 ppm1 4.126 ppm2 3.018 CV 1 ASSI { 2764} (( segid " " and resid 261 and name HA )) (( segid " " and resid 261 and name HB2 )) 2.900 1.000 1.000 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.19262E-02 ppm1 4.125 ppm2 2.366 CV 1 ASSI { 2781} (( segid " " and resid 258 and name HA )) (( segid " " and resid 258 and name HB2 )) 3.400 1.500 1.500 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 2.125 ppm2 0.879 CV 1 ASSI { 2782} (( segid " " and resid 258 and name HA )) (( segid " " and resid 258 and name HG2 )) 4.000 2.000 2.000 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.93980E-03 ppm1 2.125 ppm2 -1.471 CV 1 ASSI { 2783} (( segid " " and resid 258 and name HA )) (( segid " " and resid 264 and name HD1 )) 3.900 1.900 1.900 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.60130E-03 ppm1 2.119 ppm2 7.193 CV 1 ASSI { 2784} (( segid " " and resid 258 and name HA )) (( segid " " and resid 264 and name HA )) 3.900 1.900 1.900 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.49439E-03 ppm1 2.120 ppm2 5.184 CV 1 ASSI { 2786} (( segid " " and resid 258 and name HA )) (( segid " " and resid 258 and name HB3 )) 2.700 0.900 0.900 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.18035E-02 ppm1 2.122 ppm2 1.170 CV 1 ASSI { 2787} (( segid " " and resid 258 and name HA )) (( segid " " and resid 258 and name HG3 )) 2.900 1.100 1.100 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.15146E-02 ppm1 2.120 ppm2 0.350 CV 1 ASSI { 2806} (( segid " " and resid 194 and name HA )) (( segid " " and resid 204 and name HE3 )) 3.500 1.600 1.600 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.65281E-03 ppm1 5.931 ppm2 7.530 CV 1 ASSI { 2810} (( segid " " and resid 194 and name HA )) (( segid " " and resid 194 and name HB2 )) 3.000 1.100 1.100 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.18172E-02 ppm1 5.929 ppm2 2.916 CV 1 OR { 2810} (( segid " " and resid 194 and name HA )) (( segid " " and resid 194 and name HB3 )) ASSI { 2812} (( segid " " and resid 194 and name HA )) (( segid " " and resid 194 and name HD1 )) 2.800 1.000 1.000 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.19055E-02 ppm1 5.925 ppm2 7.425 CV 1 ASSI { 2813} (( segid " " and resid 194 and name HA )) (( segid " " and resid 204 and name HZ3 )) 3.500 1.600 1.600 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.69609E-03 ppm1 5.924 ppm2 7.179 CV 1 OR { 2813} (( segid " " and resid 194 and name HA )) (( segid " " and resid 204 and name HH2 )) ASSI { 2815} (( segid " " and resid 280 and name HA )) (( segid " " and resid 233 and name HA )) 2.800 1.000 1.000 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.21462E-02 ppm1 5.513 ppm2 5.157 CV 1 ASSI { 2817} (( segid " " and resid 280 and name HA )) (( segid " " and resid 231 and name HB2 )) 4.300 2.300 1.700 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.47210E-03 ppm1 5.511 ppm2 2.755 CV 1 OR { 2817} (( segid " " and resid 280 and name HA )) (( segid " " and resid 231 and name HB3 )) ASSI { 2818} (( segid " " and resid 280 and name HA )) (( segid " " and resid 280 and name HB3 )) 2.800 1.000 1.000 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.13305E-02 ppm1 5.512 ppm2 1.797 CV 1 ASSI { 2819} (( segid " " and resid 280 and name HA )) (( segid " " and resid 280 and name HB2 )) 3.300 1.300 1.300 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.15141E-02 ppm1 5.512 ppm2 1.432 CV 1 ASSI { 2824} (( segid " " and resid 210 and name HA )) (( segid " " and resid 163 and name HA )) 2.800 1.000 1.000 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.17643E-02 ppm1 5.420 ppm2 5.224 CV 1 ASSI { 2829} (( segid " " and resid 210 and name HA )) (( segid " " and resid 210 and name HB2 )) 3.100 1.200 1.200 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.12039E-02 ppm1 5.418 ppm2 1.367 CV 1 ASSI { 2839} (( segid " " and resid 197 and name HA )) (( segid " " and resid 198 and name HB2 )) 2.900 2.900 3.100 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.41977E-02 ppm1 5.195 ppm2 1.883 CV 1 ASSI { 2840} (( segid " " and resid 197 and name HA )) (( segid " " and resid 202 and name HB3 )) 2.400 0.700 0.700 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.22664E-02 ppm1 5.197 ppm2 1.664 CV 1 ASSI { 2841} (( segid " " and resid 197 and name HA )) (( segid " " and resid 202 and name HB2 )) 3.600 1.600 1.600 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.19228E-02 ppm1 5.195 ppm2 1.534 CV 1 OR { 2841} (( segid " " and resid 197 and name HA )) (( segid " " and resid 202 and name HG3 )) ASSI { 2842} (( segid " " and resid 197 and name HA )) ( segid " " and resid 183 and name HG1%) 3.600 1.700 1.700 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.72445E-03 ppm1 5.196 ppm2 0.781 CV 1 ASSI { 2844} (( segid " " and resid 257 and name HA )) (( segid " " and resid 257 and name HD2 )) 2.800 1.000 1.000 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.27026E-02 ppm1 4.993 ppm2 6.402 CV 1 ASSI { 2845} (( segid " " and resid 257 and name HA )) (( segid " " and resid 257 and name HB3 )) 3.400 1.400 1.400 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.11020E-02 ppm1 4.993 ppm2 3.203 CV 1 ASSI { 2852} (( segid " " and resid 177 and name HA )) (( segid " " and resid 181 and name HB2 )) 3.800 1.800 1.800 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.76782E-03 ppm1 4.909 ppm2 2.714 CV 1 OR { 2852} (( segid " " and resid 177 and name HA )) (( segid " " and resid 181 and name HB3 )) ASSI { 2860} (( segid " " and resid 247 and name HA )) (( segid " " and resid 251 and name HB3 )) 3.900 1.900 1.900 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.87875E-03 ppm1 4.880 ppm2 2.099 CV 1 OR { 2860} (( segid " " and resid 247 and name HA )) (( segid " " and resid 251 and name HG2 )) ASSI { 2861} (( segid " " and resid 247 and name HA )) (( segid " " and resid 247 and name HB2 )) 3.000 1.100 1.100 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.18991E-02 ppm1 4.876 ppm2 1.298 CV 1 ASSI { 2862} (( segid " " and resid 247 and name HA )) (( segid " " and resid 247 and name HG )) 3.000 1.100 1.100 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.14100E-02 ppm1 4.874 ppm2 1.180 CV 1 ASSI { 2864} (( segid " " and resid 247 and name HA )) ( segid " " and resid 247 and name HD2%) 3.500 1.600 1.600 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 4.876 ppm2 -0.311 CV 1 ASSI { 2919} (( segid " " and resid 162 and name HA )) (( segid " " and resid 182 and name HA )) 2.500 0.800 0.800 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.33305E-02 ppm1 5.642 ppm2 4.930 CV 1 ASSI { 2920} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HD3 )) 4.500 2.500 1.500 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.65571E-03 ppm1 5.640 ppm2 3.207 CV 1 ASSI { 2921} (( segid " " and resid 162 and name HA )) (( segid " " and resid 182 and name HB )) 3.900 1.900 1.900 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.72001E-03 ppm1 5.642 ppm2 1.951 CV 1 ASSI { 2922} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB3 )) 3.300 1.300 1.300 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.13898E-02 ppm1 5.642 ppm2 1.811 CV 1 ASSI { 2923} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) 2.500 0.800 0.800 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.29767E-02 ppm1 5.643 ppm2 1.544 CV 1 ASSI { 2924} (( segid " " and resid 162 and name HA )) ( segid " " and resid 182 and name HG1%) 3.400 1.500 1.500 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.19616E-02 ppm1 5.642 ppm2 1.020 CV 1 ASSI { 2925} (( segid " " and resid 162 and name HA )) ( segid " " and resid 182 and name HG2%) 3.400 1.400 1.400 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.17715E-02 ppm1 5.641 ppm2 0.940 CV 1 ASSI { 2926} (( segid " " and resid 162 and name HA )) ( segid " " and resid 213 and name HD2%) 3.300 1.300 1.300 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.17621E-02 ppm1 5.646 ppm2 0.849 CV 1 OR { 2926} (( segid " " and resid 162 and name HA )) ( segid " " and resid 213 and name HD1%) ASSI { 2935} (( segid " " and resid 279 and name HA )) ( segid " " and resid 279 and name HE% ) 3.900 1.900 1.900 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.11020E-02 ppm1 4.976 ppm2 6.763 CV 1 ASSI { 2936} (( segid " " and resid 279 and name HA )) ( segid " " and resid 279 and name HD% ) 2.900 1.000 1.000 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.18527E-02 ppm1 4.976 ppm2 6.527 CV 1 ASSI { 2937} (( segid " " and resid 279 and name HA )) (( segid " " and resid 279 and name HB2 )) 3.300 1.300 1.300 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.11212E-02 ppm1 4.971 ppm2 2.999 CV 1 ASSI { 2947} (( segid " " and resid 7 and name HA )) (( segid " " and resid 204 and name HH2 )) 4.100 2.100 1.900 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.47259E-03 ppm1 4.578 ppm2 7.140 CV 1 ASSI { 2948} (( segid " " and resid 7 and name HA )) (( segid " " and resid 204 and name HZ2 )) 3.500 1.500 1.500 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.67588E-03 ppm1 4.577 ppm2 7.012 CV 1 ASSI { 2951} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HD3 )) 2.200 0.600 0.600 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.78627E-02 ppm1 4.578 ppm2 3.374 CV 1 OR { 2951} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HD2 )) ASSI { 2953} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB3 )) 2.900 1.100 1.100 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.32581E-02 ppm1 4.579 ppm2 1.954 CV 1 ASSI { 2954} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) 2.500 0.800 0.800 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.31119E-02 ppm1 4.578 ppm2 1.832 CV 1 ASSI { 2955} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HG3 )) 4.200 2.200 1.800 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.16419E-02 ppm1 4.576 ppm2 1.510 CV 1 OR { 2955} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HG2 )) ASSI { 2956} (( segid " " and resid 7 and name HA )) (( segid " " and resid 6 and name HG2 )) 3.500 3.500 2.500 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.14914E-02 ppm1 4.580 ppm2 1.348 CV 1 OR { 2956} (( segid " " and resid 7 and name HA )) (( segid " " and resid 6 and name HG3 )) OR { 2956} (( segid " " and resid 7 and name HA )) (( segid " " and resid 6 and name HD3 )) ASSI { 2962} (( segid " " and resid 239 and name HA )) (( segid " " and resid 244 and name HB3 )) 3.000 1.100 1.100 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.14966E-02 ppm1 4.203 ppm2 2.485 CV 1 OR { 2962} (( segid " " and resid 239 and name HA )) (( segid " " and resid 244 and name HB2 )) ASSI { 2966} (( segid " " and resid 239 and name HA )) ( segid " " and resid 237 and name HE% ) 2.700 0.900 0.900 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.27725E-02 ppm1 4.198 ppm2 6.973 CV 1 ASSI { 2973} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HD3 )) 3.000 1.100 1.100 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.10129E-02 ppm1 3.747 ppm2 3.393 CV 1 ASSI { 2974} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HD2 )) 3.400 1.400 1.400 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 3.746 ppm2 3.115 CV 1 ASSI { 2975} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB3 )) 3.300 1.300 1.300 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.76397E-03 ppm1 3.749 ppm2 1.760 CV 1 ASSI { 2976} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) 3.700 1.700 1.700 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.80847E-03 ppm1 3.743 ppm2 1.326 CV 1 ASSI { 2977} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HG3 )) 4.200 2.200 1.800 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.61392E-03 ppm1 3.745 ppm2 0.960 CV 1 ASSI { 3007} (( segid " " and resid 211 and name HA )) (( segid " " and resid 212 and name HD3 )) 3.200 1.300 1.300 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 5.269 ppm2 4.054 CV 1 ASSI { 3008} (( segid " " and resid 211 and name HA )) (( segid " " and resid 212 and name HD2 )) 2.500 0.800 0.800 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.22617E-02 ppm1 5.268 ppm2 3.825 CV 1 ASSI { 3010} (( segid " " and resid 211 and name HA )) (( segid " " and resid 211 and name HB3 )) 2.900 1.000 1.000 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.27587E-02 ppm1 5.269 ppm2 2.107 CV 1 ASSI { 3011} (( segid " " and resid 211 and name HA )) (( segid " " and resid 211 and name HB2 )) 2.800 1.000 1.000 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.17578E-02 ppm1 5.268 ppm2 1.881 CV 1 ASSI { 3014} (( segid " " and resid 243 and name HA )) (( segid " " and resid 243 and name HB3 )) 2.700 0.900 0.900 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.29841E-02 ppm1 4.864 ppm2 3.402 CV 1 ASSI { 3015} (( segid " " and resid 243 and name HA )) (( segid " " and resid 243 and name HB2 )) 3.000 1.100 1.100 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.33010E-02 ppm1 4.863 ppm2 2.683 CV 1 ASSI { 3021} (( segid " " and resid 166 and name HA )) (( segid " " and resid 178 and name HA )) 2.600 0.800 0.800 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.40629E-02 ppm1 4.793 ppm2 5.301 CV 1 ASSI { 3022} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HB3 )) 2.700 0.900 0.900 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.28115E-02 ppm1 4.795 ppm2 2.817 CV 1 ASSI { 3023} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HB2 )) 2.900 1.000 1.000 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.26334E-02 ppm1 4.795 ppm2 2.755 CV 1 ASSI { 3032} (( segid " " and resid 248 and name HA )) ( segid " " and resid 248 and name HD1%) 2.400 0.700 0.700 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.63269E-02 ppm1 4.471 ppm2 0.858 CV 1 OR { 3032} (( segid " " and resid 248 and name HA )) ( segid " " and resid 248 and name HD2%) ASSI { 3086} (( segid " " and resid 20 and name HA )) (( segid " " and resid 17 and name HB2 )) 4.200 2.200 1.800 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.65046E-03 ppm1 4.292 ppm2 1.802 CV 1 ASSI { 3088} (( segid " " and resid 20 and name HA )) ( segid " " and resid 164 and name HD1%) 3.100 1.200 1.200 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.18076E-02 ppm1 4.291 ppm2 0.674 CV 1 ASSI { 3125} (( segid " " and resid 163 and name HA )) ( segid " " and resid 177 and name HD2%) 3.400 1.500 1.500 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.14679E-02 ppm1 5.229 ppm2 0.915 CV 1 ASSI { 3127} (( segid " " and resid 163 and name HA )) ( segid " " and resid 164 and name HG2%) 3.400 1.400 1.400 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.12324E-02 ppm1 5.223 ppm2 0.814 CV 1 ASSI { 3136} (( segid " " and resid 252 and name HA )) ( segid " " and resid 253 and name HG2%) 3.700 1.700 1.700 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.61808E-03 ppm1 5.015 ppm2 0.511 CV 1 ASSI { 3141} (( segid " " and resid 176 and name HA )) (( segid " " and resid 168 and name HA )) 3.100 1.200 1.200 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.12672E-02 ppm1 4.611 ppm2 4.318 CV 1 ASSI { 3152} (( segid " " and resid 236 and name HA )) (( segid " " and resid 249 and name HA )) 3.500 1.500 1.500 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.62798E-03 ppm1 4.428 ppm2 3.281 CV 1 ASSI { 3157} (( segid " " and resid 236 and name HA )) (( segid " " and resid 249 and name HB2 )) 4.100 2.100 1.900 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.49199E-03 ppm1 4.426 ppm2 1.821 CV 1 OR { 3157} (( segid " " and resid 236 and name HA )) (( segid " " and resid 249 and name HB3 )) ASSI { 3232} (( segid " " and resid 230 and name HD2 )) (( segid " " and resid 230 and name HG3 )) 3.000 1.100 1.100 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.37115E-02 ppm1 3.838 ppm2 2.278 CV 1 OR { 3232} (( segid " " and resid 230 and name HD2 )) (( segid " " and resid 230 and name HB3 )) ASSI { 3266} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HD3 )) 2.900 1.100 1.100 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.193 ppm2 3.836 CV 1 ASSI { 3267} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HD2 )) 2.500 0.800 0.800 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.24292E-02 ppm1 5.195 ppm2 3.623 CV 1 ASSI { 3268} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB3 )) 2.600 0.800 0.800 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.27415E-02 ppm1 5.196 ppm2 2.756 CV 1 ASSI { 3269} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HG3 )) 4.400 2.500 1.600 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.10452E-02 ppm1 5.198 ppm2 1.539 CV 1 ASSI { 3270} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HG2 )) 4.500 2.600 1.500 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.78803E-03 ppm1 5.198 ppm2 0.884 CV 1 ASSI { 3320} (( segid " " and resid 12 and name HD3 )) (( segid " " and resid 11 and name HB3 )) 4.300 2.300 1.700 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.13473E-02 ppm1 3.837 ppm2 2.754 CV 1 ASSI { 3346} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG3 )) 3.200 1.300 1.300 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.15163E-02 ppm1 3.628 ppm2 1.538 CV 1 ASSI { 3357} (( segid " " and resid 206 and name HD3 )) ( segid " " and resid 177 and name HD1%) 4.100 2.100 1.900 peak 3357 spectrum 1 weight 0.10000E+01 volume 0.74507E-03 ppm1 2.708 ppm2 0.972 CV 1 ASSI { 3367} (( segid " " and resid 206 and name HD2 )) (( segid " " and resid 205 and name HB )) 3.000 1.100 1.100 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 2.332 ppm2 1.712 CV 1 ASSI { 3368} (( segid " " and resid 206 and name HD2 )) (( segid " " and resid 206 and name HB2 )) 4.100 2.100 1.900 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.46585E-03 ppm1 2.337 ppm2 1.390 CV 1 ASSI { 3445} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 16 and name HD2 )) 2.600 0.800 0.800 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.14342E-02 ppm1 3.398 ppm2 3.126 CV 1 ASSI { 3447} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 15 and name HB2 )) 3.900 1.900 1.900 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.18740E-02 ppm1 3.396 ppm2 1.344 CV 1 ASSI { 3474} (( segid " " and resid 17 and name HD3 )) (( segid " " and resid 17 and name HD2 )) 2.400 0.700 0.700 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.19713E-02 ppm1 3.193 ppm2 2.981 CV 1 ASSI { 3475} (( segid " " and resid 17 and name HD3 )) (( segid " " and resid 16 and name HB3 )) 3.400 1.400 1.400 peak 3475 spectrum 1 weight 0.10000E+01 volume 0.15902E-02 ppm1 3.188 ppm2 1.764 CV 1 ASSI { 3476} (( segid " " and resid 17 and name HD3 )) (( segid " " and resid 16 and name HB2 )) 3.900 1.900 1.900 peak 3476 spectrum 1 weight 0.10000E+01 volume 0.11917E-02 ppm1 3.190 ppm2 1.304 CV 1 ASSI { 3489} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 15 and name HB2 )) 4.100 2.100 1.900 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.98236E-03 ppm1 3.119 ppm2 1.331 CV 1 ASSI { 3508} (( segid " " and resid 17 and name HD2 )) (( segid " " and resid 16 and name HA )) 3.100 1.200 1.200 peak 3508 spectrum 1 weight 0.10000E+01 volume 0.19832E-02 ppm1 2.965 ppm2 4.261 CV 1 ASSI { 3513} (( segid " " and resid 17 and name HD2 )) (( segid " " and resid 17 and name HB3 )) 4.200 2.200 1.800 peak 3513 spectrum 1 weight 0.10000E+01 volume 0.68460E-03 ppm1 2.965 ppm2 1.951 CV 1 ASSI { 3514} (( segid " " and resid 17 and name HD2 )) (( segid " " and resid 16 and name HB3 )) 3.100 1.200 1.200 peak 3514 spectrum 1 weight 0.10000E+01 volume 0.10952E-02 ppm1 2.965 ppm2 1.758 CV 1 ASSI { 3516} (( segid " " and resid 17 and name HD2 )) (( segid " " and resid 16 and name HB2 )) 3.100 1.200 1.200 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.14806E-02 ppm1 2.968 ppm2 1.305 CV 1 ASSI { 3607} (( segid " " and resid 276 and name HD3 )) (( segid " " and resid 263 and name HE3 )) 3.300 1.400 1.400 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.59474E-03 ppm1 2.189 ppm2 6.981 CV 1 ASSI { 3608} (( segid " " and resid 276 and name HD3 )) (( segid " " and resid 275 and name HA )) 2.800 1.000 1.000 peak 3608 spectrum 1 weight 0.10000E+01 volume 0.12050E-02 ppm1 2.187 ppm2 4.895 CV 1 ASSI { 3609} (( segid " " and resid 276 and name HD3 )) (( segid " " and resid 275 and name HB3 )) 4.500 2.500 1.500 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.46956E-03 ppm1 2.188 ppm2 3.036 CV 1 ASSI { 3611} (( segid " " and resid 276 and name HD3 )) (( segid " " and resid 276 and name HD2 )) 2.600 0.800 0.800 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.12380E-02 ppm1 2.185 ppm2 0.676 CV 1 ASSI { 3634} (( segid " " and resid 276 and name HD2 )) (( segid " " and resid 276 and name HG3 )) 3.600 1.600 1.600 peak 3634 spectrum 1 weight 0.10000E+01 volume 0.79341E-03 ppm1 0.677 ppm2 0.198 CV 1 OR { 3634} (( segid " " and resid 276 and name HD2 )) (( segid " " and resid 276 and name HB2 )) ASSI { 3637} (( segid " " and resid 276 and name HD2 )) (( segid " " and resid 275 and name HA )) 3.300 1.300 1.300 peak 3637 spectrum 1 weight 0.10000E+01 volume 0.11016E-02 ppm1 0.673 ppm2 4.893 CV 1 ASSI { 3811} (( segid " " and resid 275 and name HB3 )) (( segid " " and resid 275 and name HB2 )) 2.800 1.000 1.000 peak 3811 spectrum 1 weight 0.10000E+01 volume 0.76999E-03 ppm1 3.047 ppm2 2.578 CV 1 ASSI { 3833} (( segid " " and resid 177 and name HB3 )) ( segid " " and resid 205 and name HD1%) 3.700 1.700 1.700 peak 3833 spectrum 1 weight 0.10000E+01 volume 0.17244E-02 ppm1 1.824 ppm2 0.953 CV 1 ASSI { 3834} (( segid " " and resid 177 and name HB3 )) (( segid " " and resid 177 and name HA )) 3.300 1.300 1.300 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.97395E-03 ppm1 1.822 ppm2 4.912 CV 1 ASSI { 3835} (( segid " " and resid 177 and name HB3 )) (( segid " " and resid 167 and name HB3 )) 3.300 1.400 1.400 peak 3835 spectrum 1 weight 0.10000E+01 volume 0.69767E-03 ppm1 1.819 ppm2 2.691 CV 1 ASSI { 3837} (( segid " " and resid 177 and name HB3 )) (( segid " " and resid 177 and name HB2 )) 2.400 0.700 0.700 peak 3837 spectrum 1 weight 0.10000E+01 volume 0.19158E-02 ppm1 1.820 ppm2 1.621 CV 1 ASSI { 3841} (( segid " " and resid 177 and name HB2 )) (( segid " " and resid 177 and name HA )) 3.100 1.200 1.200 peak 3841 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 1.610 ppm2 4.906 CV 1 ASSI { 4084} (( segid " " and resid 273 and name HA2 )) ( segid " " and resid 245 and name HG1%) 3.200 1.300 1.300 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.16300E-02 ppm1 4.054 ppm2 0.769 CV 1 ASSI { 4086} (( segid " " and resid 273 and name HA1 )) (( segid " " and resid 266 and name HG12)) 3.800 1.800 1.800 peak 4086 spectrum 1 weight 0.10000E+01 volume 0.58014E-03 ppm1 3.999 ppm2 1.056 CV 1 ASSI { 4087} (( segid " " and resid 273 and name HA1 )) ( segid " " and resid 245 and name HG1%) 3.600 1.700 1.700 peak 4087 spectrum 1 weight 0.10000E+01 volume 0.14554E-02 ppm1 3.996 ppm2 0.770 CV 1 ASSI { 4108} (( segid " " and resid 231 and name HB2 )) ( segid " " and resid 231 and name HD% ) 3.400 1.500 1.500 peak 4108 spectrum 1 weight 0.10000E+01 volume 0.63811E-03 ppm1 2.745 ppm2 7.029 CV 1 OR { 4108} (( segid " " and resid 231 and name HB3 )) ( segid " " and resid 231 and name HD% ) ASSI { 4109} (( segid " " and resid 231 and name HB2 )) ( segid " " and resid 231 and name HE% ) 4.400 2.400 1.600 peak 4109 spectrum 1 weight 0.10000E+01 volume 0.61401E-03 ppm1 2.750 ppm2 6.885 CV 1 OR { 4109} (( segid " " and resid 231 and name HB3 )) ( segid " " and resid 231 and name HE% ) ASSI { 4110} (( segid " " and resid 231 and name HB2 )) (( segid " " and resid 231 and name HA )) 3.300 1.300 1.300 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.88522E-03 ppm1 2.749 ppm2 5.111 CV 1 OR { 4110} (( segid " " and resid 231 and name HB3 )) (( segid " " and resid 231 and name HA )) ASSI { 4112} (( segid " " and resid 231 and name HB2 )) (( segid " " and resid 280 and name HB3 )) 3.300 1.400 1.400 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.55291E-03 ppm1 2.752 ppm2 1.800 CV 1 OR { 4112} (( segid " " and resid 231 and name HB3 )) (( segid " " and resid 280 and name HB3 )) ASSI { 4152} (( segid " " and resid 180 and name HA2 )) (( segid " " and resid 180 and name HA1 )) 2.300 0.700 0.700 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.43092E-02 ppm1 4.505 ppm2 3.473 CV 1 ASSI { 4153} (( segid " " and resid 180 and name HA2 )) (( segid " " and resid 162 and name HB2 )) 4.000 2.100 2.000 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.79368E-03 ppm1 4.504 ppm2 1.539 CV 1 ASSI { 4188} (( segid " " and resid 262 and name HA2 )) (( segid " " and resid 278 and name HG3 )) 3.700 3.700 2.300 peak 4188 spectrum 1 weight 0.10000E+01 volume 0.62798E-03 ppm1 3.943 ppm2 2.081 CV 1 ASSI { 4190} (( segid " " and resid 262 and name HA2 )) (( segid " " and resid 262 and name HA1 )) 2.400 0.700 0.700 peak 4190 spectrum 1 weight 0.10000E+01 volume 0.28451E-02 ppm1 3.940 ppm2 3.241 CV 1 ASSI { 4194} (( segid " " and resid 203 and name HA2 )) (( segid " " and resid 203 and name HA1 )) 2.400 0.700 0.700 peak 4194 spectrum 1 weight 0.10000E+01 volume 0.25222E-02 ppm1 3.892 ppm2 3.693 CV 1 ASSI { 4195} (( segid " " and resid 203 and name HA2 )) ( segid " " and resid 195 and name HE% ) 4.400 2.400 1.600 peak 4195 spectrum 1 weight 0.10000E+01 volume 0.76216E-03 ppm1 3.887 ppm2 7.020 CV 1 OR { 4195} (( segid " " and resid 203 and name HA2 )) (( segid " " and resid 195 and name HZ )) ASSI { 4196} (( segid " " and resid 203 and name HA2 )) (( segid " " and resid 175 and name HB2 )) 3.500 1.500 1.500 peak 4196 spectrum 1 weight 0.10000E+01 volume 0.10404E-02 ppm1 3.889 ppm2 1.471 CV 1 ASSI { 4200} (( segid " " and resid 203 and name HA1 )) ( segid " " and resid 195 and name HE% ) 3.400 3.400 2.600 peak 4200 spectrum 1 weight 0.10000E+01 volume 0.67940E-03 ppm1 3.697 ppm2 7.044 CV 1 OR { 4200} (( segid " " and resid 203 and name HA1 )) (( segid " " and resid 195 and name HZ )) ASSI { 4393} (( segid " " and resid 162 and name HD2 )) (( segid " " and resid 162 and name HD3 )) 1.600 0.300 0.600 peak 4393 spectrum 1 weight 0.10000E+01 volume 0.27971E-01 ppm1 3.127 ppm2 3.198 CV 1 ASSI { 4395} (( segid " " and resid 162 and name HD2 )) (( segid " " and resid 213 and name HB3 )) 2.800 2.800 3.200 peak 4395 spectrum 1 weight 0.10000E+01 volume 0.74629E-02 ppm1 3.125 ppm2 1.500 CV 1 ASSI { 4398} (( segid " " and resid 162 and name HD2 )) (( segid " " and resid 162 and name HA )) 4.500 2.600 1.500 peak 4398 spectrum 1 weight 0.10000E+01 volume 0.49855E-03 ppm1 3.121 ppm2 5.632 CV 1 ASSI { 4400} (( segid " " and resid 162 and name HD2 )) (( segid " " and resid 211 and name HB2 )) 3.800 1.800 1.800 peak 4400 spectrum 1 weight 0.10000E+01 volume 0.16534E-02 ppm1 3.123 ppm2 1.882 CV 1 ASSI { 4518} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 21 and name HB3 )) 2.600 0.800 0.800 peak 4518 spectrum 1 weight 0.10000E+01 volume 0.49186E-02 ppm1 3.043 ppm2 1.713 CV 1 ASSI { 4520} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 18 and name HA )) 2.700 0.900 0.900 peak 4520 spectrum 1 weight 0.10000E+01 volume 0.25784E-02 ppm1 3.042 ppm2 3.704 CV 1 ASSI { 4524} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HA )) 3.800 1.800 1.800 peak 4524 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 2.961 ppm2 4.111 CV 1 ASSI { 4526} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HB3 )) 2.900 1.100 1.100 peak 4526 spectrum 1 weight 0.10000E+01 volume 0.46314E-02 ppm1 2.961 ppm2 1.703 CV 1 ASSI { 4527} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HG3 )) 2.600 0.800 0.800 peak 4527 spectrum 1 weight 0.10000E+01 volume 0.33375E-02 ppm1 2.960 ppm2 1.429 CV 1 OR { 4527} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HG2 )) ASSI { 4659} (( segid " " and resid 213 and name HB3 )) (( segid " " and resid 213 and name HB2 )) 1.800 0.400 0.400 peak 4659 spectrum 1 weight 0.10000E+01 volume 0.11083E-01 ppm1 1.510 ppm2 1.372 CV 1 ASSI { 4660} (( segid " " and resid 213 and name HB3 )) ( segid " " and resid 213 and name HD1%) 2.300 0.600 0.600 peak 4660 spectrum 1 weight 0.10000E+01 volume 0.10109E-01 ppm1 1.510 ppm2 0.848 CV 1 OR { 4660} (( segid " " and resid 213 and name HB3 )) ( segid " " and resid 213 and name HD2%) ASSI { 4667} (( segid " " and resid 213 and name HB2 )) ( segid " " and resid 213 and name HD2%) 2.500 0.800 0.800 peak 4667 spectrum 1 weight 0.10000E+01 volume 0.57702E-02 ppm1 1.364 ppm2 0.845 CV 1 OR { 4667} (( segid " " and resid 213 and name HB2 )) ( segid " " and resid 213 and name HD1%) ASSI { 4837} (( segid " " and resid 235 and name HE3 )) (( segid " " and resid 235 and name HA )) 3.400 1.500 1.500 peak 4837 spectrum 1 weight 0.10000E+01 volume 0.13195E-02 ppm1 2.931 ppm2 4.150 CV 1 ASSI { 4849} (( segid " " and resid 235 and name HE2 )) ( segid " " and resid 279 and name HD% ) 3.700 3.700 2.300 peak 4849 spectrum 1 weight 0.10000E+01 volume 0.80870E-03 ppm1 2.837 ppm2 6.523 CV 1 ASSI { 4855} (( segid " " and resid 235 and name HE2 )) (( segid " " and resid 235 and name HE3 )) 2.200 0.600 0.600 peak 4855 spectrum 1 weight 0.10000E+01 volume 0.36341E-02 ppm1 2.833 ppm2 2.937 CV 1 ASSI { 4861} (( segid " " and resid 235 and name HE2 )) (( segid " " and resid 235 and name HG2 )) 2.200 0.600 0.600 peak 4861 spectrum 1 weight 0.10000E+01 volume 0.13784E-01 ppm1 2.835 ppm2 1.060 CV 1 OR { 4861} (( segid " " and resid 235 and name HE2 )) (( segid " " and resid 235 and name HB3 )) ASSI { 4862} (( segid " " and resid 235 and name HE2 )) (( segid " " and resid 235 and name HB2 )) 3.000 1.100 1.100 peak 4862 spectrum 1 weight 0.10000E+01 volume 0.52094E-02 ppm1 2.835 ppm2 0.921 CV 1 ASSI { 4877} (( segid " " and resid 6 and name HE3 )) ( segid " " and resid 186 and name HG2%) 3.200 1.300 1.300 peak 4877 spectrum 1 weight 0.10000E+01 volume 0.15022E-02 ppm1 2.714 ppm2 0.936 CV 1 OR { 4877} (( segid " " and resid 6 and name HE2 )) ( segid " " and resid 186 and name HG2%) ASSI { 4918} (( segid " " and resid 205 and name HB )) (( segid " " and resid 206 and name HD3 )) 3.800 1.800 1.800 peak 4918 spectrum 1 weight 0.10000E+01 volume 0.10018E-02 ppm1 1.713 ppm2 2.706 CV 1 ASSI { 4922} (( segid " " and resid 205 and name HB )) (( segid " " and resid 183 and name HB )) 2.900 2.900 3.100 peak 4922 spectrum 1 weight 0.10000E+01 volume 0.47160E-02 ppm1 1.707 ppm2 1.945 CV 1 ASSI { 4924} (( segid " " and resid 205 and name HB )) (( segid " " and resid 206 and name HG2 )) 3.600 1.700 1.700 peak 4924 spectrum 1 weight 0.10000E+01 volume 0.15257E-02 ppm1 1.704 ppm2 0.556 CV 1 ASSI { 4996} (( segid " " and resid 6 and name HE2 )) ( segid " " and resid 195 and name HE% ) 3.200 1.300 1.300 peak 4996 spectrum 1 weight 0.10000E+01 volume 0.14310E-02 ppm1 2.717 ppm2 7.025 CV 1 OR { 4996} (( segid " " and resid 6 and name HE2 )) (( segid " " and resid 195 and name HZ )) OR { 4996} (( segid " " and resid 6 and name HE3 )) ( segid " " and resid 195 and name HE% ) OR { 4996} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 195 and name HZ )) ASSI { 4997} (( segid " " and resid 6 and name HE2 )) ( segid " " and resid 195 and name HD% ) 3.700 1.700 1.700 peak 4997 spectrum 1 weight 0.10000E+01 volume 0.57950E-03 ppm1 2.717 ppm2 5.640 CV 1 OR { 4997} (( segid " " and resid 6 and name HE3 )) ( segid " " and resid 195 and name HD% ) ASSI { 4998} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 6 and name HA )) 3.700 1.700 1.700 peak 4998 spectrum 1 weight 0.10000E+01 volume 0.12696E-02 ppm1 2.718 ppm2 4.386 CV 1 OR { 4998} (( segid " " and resid 6 and name HE2 )) (( segid " " and resid 6 and name HA )) ASSI { 5000} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 6 and name HB3 )) 3.200 1.300 1.300 peak 5000 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 2.718 ppm2 1.870 CV 1 OR { 5000} (( segid " " and resid 6 and name HE2 )) (( segid " " and resid 6 and name HB3 )) ASSI { 5001} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 6 and name HB2 )) 3.200 1.300 1.300 peak 5001 spectrum 1 weight 0.10000E+01 volume 0.19261E-02 ppm1 2.714 ppm2 1.752 CV 1 OR { 5001} (( segid " " and resid 6 and name HE2 )) (( segid " " and resid 6 and name HB2 )) ASSI { 5002} (( segid " " and resid 6 and name HE2 )) (( segid " " and resid 6 and name HD3 )) 2.000 0.500 0.500 peak 5002 spectrum 1 weight 0.10000E+01 volume 0.19933E-01 ppm1 2.716 ppm2 1.357 CV 1 OR { 5002} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 6 and name HD2 )) OR { 5002} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 6 and name HD3 )) OR { 5002} (( segid " " and resid 6 and name HE2 )) (( segid " " and resid 6 and name HD2 )) OR { 5002} (( segid " " and resid 6 and name HE2 )) (( segid " " and resid 6 and name HG2 )) OR { 5002} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 6 and name HG2 )) ASSI { 5018} (( segid " " and resid 258 and name HE2 )) (( segid " " and resid 258 and name HD2 )) 2.400 0.700 0.700 peak 5018 spectrum 1 weight 0.10000E+01 volume 0.52745E-02 ppm1 2.464 ppm2 1.198 CV 1 OR { 5018} (( segid " " and resid 258 and name HE3 )) (( segid " " and resid 258 and name HD3 )) OR { 5018} (( segid " " and resid 258 and name HE3 )) (( segid " " and resid 258 and name HD2 )) OR { 5018} (( segid " " and resid 258 and name HE2 )) (( segid " " and resid 258 and name HD3 )) ASSI { 5019} (( segid " " and resid 258 and name HE3 )) (( segid " " and resid 258 and name HB2 )) 3.700 1.700 1.700 peak 5019 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 2.465 ppm2 0.879 CV 1 OR { 5019} (( segid " " and resid 258 and name HE2 )) (( segid " " and resid 258 and name HB2 )) ASSI { 5020} (( segid " " and resid 258 and name HE3 )) (( segid " " and resid 258 and name HG2 )) 2.800 1.000 1.000 peak 5020 spectrum 1 weight 0.10000E+01 volume 0.16366E-02 ppm1 2.465 ppm2 -1.473 CV 1 OR { 5020} (( segid " " and resid 258 and name HE2 )) (( segid " " and resid 258 and name HG2 )) ASSI { 5022} (( segid " " and resid 258 and name HE2 )) ( segid " " and resid 231 and name HE% ) 2.600 2.600 3.400 peak 5022 spectrum 1 weight 0.10000E+01 volume 0.13237E-02 ppm1 2.460 ppm2 6.879 CV 1 OR { 5022} (( segid " " and resid 258 and name HE3 )) ( segid " " and resid 231 and name HE% ) ASSI { 5027} (( segid " " and resid 258 and name HE2 )) (( segid " " and resid 258 and name HG3 )) 3.000 1.100 1.100 peak 5027 spectrum 1 weight 0.10000E+01 volume 0.41315E-02 ppm1 2.464 ppm2 0.352 CV 1 OR { 5027} (( segid " " and resid 258 and name HE3 )) (( segid " " and resid 258 and name HG3 )) ASSI { 5242} (( segid " " and resid 261 and name HB3 )) (( segid " " and resid 263 and name HB2 )) 3.500 3.500 2.500 peak 5242 spectrum 1 weight 0.10000E+01 volume 0.89164E-03 ppm1 3.022 ppm2 2.710 CV 1 ASSI { 5244} (( segid " " and resid 261 and name HB3 )) (( segid " " and resid 208 and name HB2 )) 4.500 2.600 1.500 peak 5244 spectrum 1 weight 0.10000E+01 volume 0.60596E-03 ppm1 3.018 ppm2 3.787 CV 1 ASSI { 5246} (( segid " " and resid 261 and name HB3 )) (( segid " " and resid 261 and name HB2 )) 2.500 0.800 0.800 peak 5246 spectrum 1 weight 0.10000E+01 volume 0.22238E-02 ppm1 3.018 ppm2 2.373 CV 1 ASSI { 5260} (( segid " " and resid 261 and name HB2 )) (( segid " " and resid 208 and name HB2 )) 3.800 1.800 1.800 peak 5260 spectrum 1 weight 0.10000E+01 volume 0.69134E-03 ppm1 2.375 ppm2 3.772 CV 1 ASSI { 5311} (( segid " " and resid 243 and name HB3 )) (( segid " " and resid 243 and name HB2 )) 2.500 0.800 0.800 peak 5311 spectrum 1 weight 0.10000E+01 volume 0.22583E-02 ppm1 3.401 ppm2 2.679 CV 1 ASSI { 5334} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 12 and name HD2 )) 3.200 1.300 1.300 peak 5334 spectrum 1 weight 0.10000E+01 volume 0.23373E-02 ppm1 2.779 ppm2 3.622 CV 1 ASSI { 5336} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 12 and name HG3 )) 4.700 2.800 1.300 peak 5336 spectrum 1 weight 0.10000E+01 volume 0.72784E-03 ppm1 2.781 ppm2 1.552 CV 1 ASSI { 5337} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 12 and name HG2 )) 4.500 2.500 1.500 peak 5337 spectrum 1 weight 0.10000E+01 volume 0.55694E-03 ppm1 2.781 ppm2 0.890 CV 1 ASSI { 5338} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HD3 )) 3.800 1.800 1.800 peak 5338 spectrum 1 weight 0.10000E+01 volume 0.19018E-02 ppm1 2.724 ppm2 3.832 CV 1 ASSI { 5339} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HD2 )) 3.200 1.300 1.300 peak 5339 spectrum 1 weight 0.10000E+01 volume 0.22231E-02 ppm1 2.725 ppm2 3.622 CV 1 ASSI { 5344} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 5344 spectrum 1 weight 0.10000E+01 volume 0.28420E-02 ppm1 2.722 ppm2 5.190 CV 1 ASSI { 5345} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HG3 )) 4.400 2.500 1.600 peak 5345 spectrum 1 weight 0.10000E+01 volume 0.68944E-03 ppm1 2.719 ppm2 1.548 CV 1 ASSI { 5416} (( segid " " and resid 256 and name HB )) (( segid " " and resid 256 and name HA )) 2.900 1.100 1.100 peak 5416 spectrum 1 weight 0.10000E+01 volume 0.17240E-02 ppm1 1.532 ppm2 4.556 CV 1 ASSI { 5418} (( segid " " and resid 256 and name HB )) ( segid " " and resid 272 and name HG2%) 3.500 1.500 1.500 peak 5418 spectrum 1 weight 0.10000E+01 volume 0.18745E-02 ppm1 1.532 ppm2 1.058 CV 1 ASSI { 5471} (( segid " " and resid 251 and name HG3 )) (( segid " " and resid 248 and name HA )) 4.500 2.500 1.500 peak 5471 spectrum 1 weight 0.10000E+01 volume 0.53482E-03 ppm1 2.436 ppm2 4.463 CV 1 ASSI { 5475} (( segid " " and resid 251 and name HG3 )) (( segid " " and resid 251 and name HA )) 3.000 1.100 1.100 peak 5475 spectrum 1 weight 0.10000E+01 volume 0.37820E-02 ppm1 2.431 ppm2 4.157 CV 1 ASSI { 5477} (( segid " " and resid 251 and name HG3 )) (( segid " " and resid 251 and name HG2 )) 1.800 0.400 0.400 peak 5477 spectrum 1 weight 0.10000E+01 volume 0.12059E-01 ppm1 2.433 ppm2 2.080 CV 1 ASSI { 5478} (( segid " " and resid 251 and name HG3 )) (( segid " " and resid 251 and name HB2 )) 2.600 0.900 0.900 peak 5478 spectrum 1 weight 0.10000E+01 volume 0.29391E-02 ppm1 2.432 ppm2 1.850 CV 1 ASSI { 5479} (( segid " " and resid 251 and name HG3 )) (( segid " " and resid 248 and name HB2 )) 2.800 1.000 1.000 peak 5479 spectrum 1 weight 0.10000E+01 volume 0.30016E-02 ppm1 2.432 ppm2 1.519 CV 1 OR { 5479} (( segid " " and resid 251 and name HG3 )) (( segid " " and resid 248 and name HB3 )) ASSI { 5480} (( segid " " and resid 251 and name HG3 )) ( segid " " and resid 247 and name HD1%) 3.700 1.700 1.700 peak 5480 spectrum 1 weight 0.10000E+01 volume 0.93415E-03 ppm1 2.430 ppm2 0.635 CV 1 ASSI { 5489} (( segid " " and resid 234 and name HB )) (( segid " " and resid 279 and name HA )) 4.400 2.400 1.600 peak 5489 spectrum 1 weight 0.10000E+01 volume 0.52636E-03 ppm1 2.088 ppm2 4.979 CV 1 ASSI { 5492} (( segid " " and resid 234 and name HB )) (( segid " " and resid 234 and name HG13)) 2.900 1.000 1.000 peak 5492 spectrum 1 weight 0.10000E+01 volume 0.22478E-02 ppm1 2.088 ppm2 1.157 CV 1 OR { 5492} (( segid " " and resid 234 and name HB )) (( segid " " and resid 234 and name HG12)) ASSI { 5493} (( segid " " and resid 234 and name HB )) ( segid " " and resid 234 and name HG2%) 2.100 0.500 0.500 peak 5493 spectrum 1 weight 0.10000E+01 volume 0.14006E-01 ppm1 2.087 ppm2 0.886 CV 1 OR { 5493} (( segid " " and resid 234 and name HB )) ( segid " " and resid 234 and name HD1%) ASSI { 5494} (( segid " " and resid 251 and name HG2 )) (( segid " " and resid 247 and name HA )) 4.800 2.900 1.200 peak 5494 spectrum 1 weight 0.10000E+01 volume 0.47847E-03 ppm1 2.073 ppm2 4.896 CV 1 ASSI { 5495} (( segid " " and resid 251 and name HG2 )) (( segid " " and resid 251 and name HA )) 2.400 0.700 0.700 peak 5495 spectrum 1 weight 0.10000E+01 volume 0.49670E-02 ppm1 2.073 ppm2 4.159 CV 1 ASSI { 5498} (( segid " " and resid 251 and name HG2 )) (( segid " " and resid 251 and name HB2 )) 2.400 0.700 0.700 peak 5498 spectrum 1 weight 0.10000E+01 volume 0.44317E-02 ppm1 2.075 ppm2 1.851 CV 1 ASSI { 5499} (( segid " " and resid 251 and name HG2 )) (( segid " " and resid 248 and name HB2 )) 2.700 0.900 0.900 peak 5499 spectrum 1 weight 0.10000E+01 volume 0.23348E-02 ppm1 2.074 ppm2 1.514 CV 1 OR { 5499} (( segid " " and resid 251 and name HG2 )) (( segid " " and resid 248 and name HB3 )) ASSI { 5501} (( segid " " and resid 251 and name HG2 )) ( segid " " and resid 247 and name HD2%) 3.100 3.100 2.900 peak 5501 spectrum 1 weight 0.10000E+01 volume 0.51840E-03 ppm1 2.076 ppm2 -0.298 CV 1 ASSI { 5637} (( segid " " and resid 190 and name HG3 )) (( segid " " and resid 264 and name HZ2 )) 3.100 1.200 1.200 peak 5637 spectrum 1 weight 0.10000E+01 volume 0.17646E-02 ppm1 2.548 ppm2 7.374 CV 1 ASSI { 5638} (( segid " " and resid 190 and name HG3 )) (( segid " " and resid 264 and name HH2 )) 4.600 2.700 1.400 peak 5638 spectrum 1 weight 0.10000E+01 volume 0.61745E-03 ppm1 2.548 ppm2 7.224 CV 1 ASSI { 5639} (( segid " " and resid 190 and name HG3 )) (( segid " " and resid 190 and name HA )) 2.500 0.800 0.800 peak 5639 spectrum 1 weight 0.10000E+01 volume 0.40586E-02 ppm1 2.548 ppm2 4.321 CV 1 ASSI { 5641} (( segid " " and resid 190 and name HG3 )) (( segid " " and resid 190 and name HB2 )) 2.400 0.700 0.700 peak 5641 spectrum 1 weight 0.10000E+01 volume 0.90715E-02 ppm1 2.547 ppm2 2.261 CV 1 OR { 5641} (( segid " " and resid 190 and name HG3 )) (( segid " " and resid 190 and name HB3 )) ASSI { 5643} (( segid " " and resid 190 and name HG2 )) (( segid " " and resid 264 and name HZ2 )) 2.800 0.900 0.900 peak 5643 spectrum 1 weight 0.10000E+01 volume 0.16289E-02 ppm1 2.488 ppm2 7.373 CV 1 ASSI { 5644} (( segid " " and resid 190 and name HG2 )) (( segid " " and resid 190 and name HA )) 3.000 1.100 1.100 peak 5644 spectrum 1 weight 0.10000E+01 volume 0.40262E-02 ppm1 2.487 ppm2 4.320 CV 1 ASSI { 5646} (( segid " " and resid 190 and name HG2 )) (( segid " " and resid 190 and name HB3 )) 2.200 0.600 0.600 peak 5646 spectrum 1 weight 0.10000E+01 volume 0.89815E-02 ppm1 2.487 ppm2 2.261 CV 1 OR { 5646} (( segid " " and resid 190 and name HG2 )) (( segid " " and resid 190 and name HB2 )) ASSI { 5648} (( segid " " and resid 190 and name HG2 )) (( segid " " and resid 264 and name HH2 )) 3.900 1.900 1.900 peak 5648 spectrum 1 weight 0.10000E+01 volume 0.63888E-03 ppm1 2.484 ppm2 7.216 CV 1 ASSI { 5688} (( segid " " and resid 279 and name HB3 )) (( segid " " and resid 279 and name HA )) 3.200 1.300 1.300 peak 5688 spectrum 1 weight 0.10000E+01 volume 0.74312E-03 ppm1 3.962 ppm2 4.972 CV 1 ASSI { 5697} (( segid " " and resid 279 and name HB2 )) (( segid " " and resid 279 and name HB3 )) 2.700 0.900 0.900 peak 5697 spectrum 1 weight 0.10000E+01 volume 0.69840E-03 ppm1 3.002 ppm2 3.951 CV 1 ASSI { 5699} (( segid " " and resid 279 and name HB2 )) ( segid " " and resid 279 and name HD% ) 3.600 1.700 1.700 peak 5699 spectrum 1 weight 0.10000E+01 volume 0.50190E-03 ppm1 2.998 ppm2 6.506 CV 1 ASSI { 5822} (( segid " " and resid 19 and name HG3 )) (( segid " " and resid 19 and name HA )) 2.600 0.900 0.900 peak 5822 spectrum 1 weight 0.10000E+01 volume 0.46730E-02 ppm1 2.366 ppm2 3.998 CV 1 ASSI { 5825} (( segid " " and resid 19 and name HG3 )) (( segid " " and resid 19 and name HB2 )) 2.200 0.600 0.600 peak 5825 spectrum 1 weight 0.10000E+01 volume 0.98136E-02 ppm1 2.368 ppm2 1.830 CV 1 ASSI { 5826} (( segid " " and resid 19 and name HG3 )) ( segid " " and resid 20 and name HB% ) 3.400 1.500 1.500 peak 5826 spectrum 1 weight 0.10000E+01 volume 0.12350E-02 ppm1 2.365 ppm2 1.290 CV 1 ASSI { 5858} (( segid " " and resid 19 and name HG2 )) ( segid " " and resid 164 and name HD1%) 3.600 1.600 1.600 peak 5858 spectrum 1 weight 0.10000E+01 volume 0.67750E-03 ppm1 2.248 ppm2 0.663 CV 1 ASSI { 5865} (( segid " " and resid 253 and name HB )) (( segid " " and resid 266 and name HA )) 4.200 2.200 1.800 peak 5865 spectrum 1 weight 0.10000E+01 volume 0.48223E-03 ppm1 2.070 ppm2 5.261 CV 1 ASSI { 5868} (( segid " " and resid 253 and name HB )) (( segid " " and resid 267 and name HG3 )) 2.900 2.900 3.100 peak 5868 spectrum 1 weight 0.10000E+01 volume 0.22082E-02 ppm1 2.062 ppm2 1.477 CV 1 OR { 5868} (( segid " " and resid 253 and name HB )) (( segid " " and resid 267 and name HG2 )) ASSI { 5869} (( segid " " and resid 253 and name HB )) ( segid " " and resid 266 and name HG2%) 3.900 1.900 1.900 peak 5869 spectrum 1 weight 0.10000E+01 volume 0.13411E-02 ppm1 2.063 ppm2 0.919 CV 1 ASSI { 5872} (( segid " " and resid 253 and name HB )) ( segid " " and resid 247 and name HD2%) 4.300 2.300 1.700 peak 5872 spectrum 1 weight 0.10000E+01 volume 0.51488E-03 ppm1 2.067 ppm2 -0.308 CV 1 ASSI { 5934} (( segid " " and resid 241 and name HG3 )) (( segid " " and resid 241 and name HA )) 3.100 1.200 1.200 peak 5934 spectrum 1 weight 0.10000E+01 volume 0.46934E-02 ppm1 2.179 ppm2 4.516 CV 1 ASSI { 5936} (( segid " " and resid 241 and name HG3 )) ( segid " " and resid 240 and name HG1%) 2.900 1.000 1.000 peak 5936 spectrum 1 weight 0.10000E+01 volume 0.22539E-02 ppm1 2.174 ppm2 0.942 CV 1 ASSI { 5948} (( segid " " and resid 241 and name HG2 )) ( segid " " and resid 240 and name HG1%) 3.200 1.300 1.300 peak 5948 spectrum 1 weight 0.10000E+01 volume 0.15784E-02 ppm1 2.102 ppm2 0.952 CV 1 ASSI { 5949} (( segid " " and resid 241 and name HG2 )) (( segid " " and resid 241 and name HA )) 2.600 0.900 0.900 peak 5949 spectrum 1 weight 0.10000E+01 volume 0.30787E-02 ppm1 2.099 ppm2 4.532 CV 1 ASSI { 5950} (( segid " " and resid 241 and name HG2 )) ( segid " " and resid 240 and name HG2%) 2.700 2.700 3.300 peak 5950 spectrum 1 weight 0.10000E+01 volume 0.99344E-03 ppm1 2.098 ppm2 1.082 CV 1 ASSI { 5970} (( segid " " and resid 232 and name HB )) (( segid " " and resid 232 and name HA )) 2.100 0.600 0.600 peak 5970 spectrum 1 weight 0.10000E+01 volume 0.10146E-01 ppm1 1.785 ppm2 5.150 CV 1 ASSI { 5971} (( segid " " and resid 232 and name HB )) (( segid " " and resid 252 and name HA )) 3.300 1.400 1.400 peak 5971 spectrum 1 weight 0.10000E+01 volume 0.35177E-02 ppm1 1.785 ppm2 5.017 CV 1 ASSI { 5973} (( segid " " and resid 232 and name HB )) (( segid " " and resid 250 and name HA2 )) 4.000 2.000 2.000 peak 5973 spectrum 1 weight 0.10000E+01 volume 0.10437E-02 ppm1 1.785 ppm2 4.277 CV 1 ASSI { 5989} (( segid " " and resid 235 and name HB3 )) (( segid " " and resid 235 and name HB2 )) 1.900 0.400 0.400 peak 5989 spectrum 1 weight 0.10000E+01 volume 0.95192E-02 ppm1 1.050 ppm2 0.918 CV 1 ASSI { 5990} (( segid " " and resid 235 and name HB3 )) ( segid " " and resid 279 and name HE% ) 3.600 1.600 1.600 peak 5990 spectrum 1 weight 0.10000E+01 volume 0.53491E-03 ppm1 1.045 ppm2 6.757 CV 1 ASSI { 5991} (( segid " " and resid 235 and name HB3 )) ( segid " " and resid 279 and name HD% ) 3.700 1.700 1.700 peak 5991 spectrum 1 weight 0.10000E+01 volume 0.54486E-03 ppm1 1.045 ppm2 6.546 CV 1 ASSI { 5994} (( segid " " and resid 235 and name HB3 )) (( segid " " and resid 235 and name HA )) 2.500 0.800 0.800 peak 5994 spectrum 1 weight 0.10000E+01 volume 0.41245E-02 ppm1 1.045 ppm2 4.158 CV 1 ASSI { 5995} (( segid " " and resid 235 and name HB3 )) (( segid " " and resid 279 and name HB3 )) 4.000 2.000 2.000 peak 5995 spectrum 1 weight 0.10000E+01 volume 0.48173E-03 ppm1 1.042 ppm2 3.961 CV 1 ASSI { 5996} (( segid " " and resid 235 and name HB3 )) (( segid " " and resid 235 and name HE2 )) 3.200 1.300 1.300 peak 5996 spectrum 1 weight 0.10000E+01 volume 0.16076E-02 ppm1 1.045 ppm2 2.832 CV 1 ASSI { 5998} (( segid " " and resid 235 and name HB3 )) (( segid " " and resid 235 and name HD3 )) 2.600 0.900 0.900 peak 5998 spectrum 1 weight 0.10000E+01 volume 0.21729E-02 ppm1 1.047 ppm2 1.292 CV 1 ASSI { 6002} (( segid " " and resid 235 and name HB2 )) ( segid " " and resid 279 and name HD% ) 3.300 1.400 1.400 peak 6002 spectrum 1 weight 0.10000E+01 volume 0.72042E-03 ppm1 0.906 ppm2 6.519 CV 1 ASSI { 6003} (( segid " " and resid 235 and name HB2 )) (( segid " " and resid 279 and name HA )) 3.200 1.300 1.300 peak 6003 spectrum 1 weight 0.10000E+01 volume 0.73765E-03 ppm1 0.904 ppm2 4.970 CV 1 ASSI { 6007} (( segid " " and resid 235 and name HB2 )) (( segid " " and resid 235 and name HB3 )) 1.800 0.400 0.400 peak 6007 spectrum 1 weight 0.10000E+01 volume 0.13847E-01 ppm1 0.908 ppm2 1.051 CV 1 OR { 6007} (( segid " " and resid 235 and name HB2 )) (( segid " " and resid 235 and name HG2 )) ASSI { 6045} (( segid " " and resid 257 and name HB3 )) (( segid " " and resid 257 and name HB2 )) 2.700 0.900 0.900 peak 6045 spectrum 1 weight 0.10000E+01 volume 0.10125E-02 ppm1 3.206 ppm2 2.479 CV 1 ASSI { 6068} (( segid " " and resid 257 and name HB2 )) ( segid " " and resid 265 and name HG1%) 4.100 2.100 1.900 peak 6068 spectrum 1 weight 0.10000E+01 volume 0.12628E-02 ppm1 2.478 ppm2 0.837 CV 1 ASSI { 6073} (( segid " " and resid 211 and name HG3 )) (( segid " " and resid 211 and name HA )) 3.400 1.500 1.500 peak 6073 spectrum 1 weight 0.10000E+01 volume 0.79748E-03 ppm1 2.399 ppm2 5.264 CV 1 ASSI { 6074} (( segid " " and resid 211 and name HG3 )) (( segid " " and resid 212 and name HD2 )) 3.700 1.800 1.800 peak 6074 spectrum 1 weight 0.10000E+01 volume 0.51244E-03 ppm1 2.395 ppm2 3.827 CV 1 ASSI { 6075} (( segid " " and resid 211 and name HG3 )) (( segid " " and resid 211 and name HG2 )) 2.100 0.500 0.500 peak 6075 spectrum 1 weight 0.10000E+01 volume 0.63956E-02 ppm1 2.399 ppm2 2.217 CV 1 ASSI { 6076} (( segid " " and resid 211 and name HG3 )) (( segid " " and resid 162 and name HB2 )) 3.700 3.700 2.300 peak 6076 spectrum 1 weight 0.10000E+01 volume 0.12874E-02 ppm1 2.395 ppm2 1.542 CV 1 ASSI { 6088} (( segid " " and resid 211 and name HG2 )) (( segid " " and resid 211 and name HA )) 4.000 2.000 2.000 peak 6088 spectrum 1 weight 0.10000E+01 volume 0.73232E-03 ppm1 2.223 ppm2 5.263 CV 1 ASSI { 6091} (( segid " " and resid 211 and name HG2 )) ( segid " " and resid 164 and name HG2%) 2.900 1.000 1.000 peak 6091 spectrum 1 weight 0.10000E+01 volume 0.19976E-02 ppm1 2.220 ppm2 0.814 CV 1 ASSI { 6158} (( segid " " and resid 245 and name HB )) (( segid " " and resid 245 and name HA )) 3.000 1.100 1.100 peak 6158 spectrum 1 weight 0.10000E+01 volume 0.17267E-02 ppm1 1.955 ppm2 4.414 CV 1 ASSI { 6159} (( segid " " and resid 245 and name HB )) (( segid " " and resid 275 and name HB3 )) 4.200 2.200 1.800 peak 6159 spectrum 1 weight 0.10000E+01 volume 0.84180E-03 ppm1 1.954 ppm2 3.045 CV 1 ASSI { 6160} (( segid " " and resid 245 and name HB )) (( segid " " and resid 275 and name HB2 )) 2.800 1.000 1.000 peak 6160 spectrum 1 weight 0.10000E+01 volume 0.17516E-02 ppm1 1.952 ppm2 2.568 CV 1 ASSI { 6164} (( segid " " and resid 245 and name HB )) (( segid " " and resid 266 and name HG13)) 4.000 2.000 2.000 peak 6164 spectrum 1 weight 0.10000E+01 volume 0.97359E-03 ppm1 1.953 ppm2 1.350 CV 1 ASSI { 6177} (( segid " " and resid 162 and name HB3 )) (( segid " " and resid 182 and name HA )) 4.300 2.300 1.700 peak 6177 spectrum 1 weight 0.10000E+01 volume 0.71432E-03 ppm1 1.816 ppm2 4.951 CV 1 ASSI { 6184} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 162 and name HD3 )) 3.400 1.500 1.500 peak 6184 spectrum 1 weight 0.10000E+01 volume 0.14508E-02 ppm1 1.555 ppm2 3.210 CV 1 ASSI { 6185} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 211 and name HG2 )) 4.400 2.400 1.600 peak 6185 spectrum 1 weight 0.10000E+01 volume 0.46997E-03 ppm1 1.555 ppm2 2.219 CV 1 ASSI { 6186} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 182 and name HG1%) 3.500 1.500 1.500 peak 6186 spectrum 1 weight 0.10000E+01 volume 0.10874E-02 ppm1 1.555 ppm2 1.039 CV 1 ASSI { 6187} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 213 and name HD2%) 2.900 1.000 1.000 peak 6187 spectrum 1 weight 0.10000E+01 volume 0.21420E-02 ppm1 1.556 ppm2 0.844 CV 1 OR { 6187} (( segid " " and resid 162 and name HB2 )) ( segid " " and resid 213 and name HD1%) ASSI { 6239} (( segid " " and resid 159 and name HG3 )) (( segid " " and resid 159 and name HB2 )) 2.600 0.800 0.800 peak 6239 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 2.516 ppm2 2.105 CV 1 ASSI { 6241} (( segid " " and resid 159 and name HG3 )) (( segid " " and resid 159 and name HA )) 2.800 1.000 1.000 peak 6241 spectrum 1 weight 0.10000E+01 volume 0.38003E-02 ppm1 2.515 ppm2 4.398 CV 1 ASSI { 6243} (( segid " " and resid 159 and name HG3 )) (( segid " " and resid 159 and name HB3 )) 2.800 1.000 1.000 peak 6243 spectrum 1 weight 0.10000E+01 volume 0.34866E-02 ppm1 2.514 ppm2 2.157 CV 1 ASSI { 6245} (( segid " " and resid 159 and name HG2 )) (( segid " " and resid 159 and name HA )) 2.600 0.900 0.900 peak 6245 spectrum 1 weight 0.10000E+01 volume 0.39338E-02 ppm1 2.457 ppm2 4.398 CV 1 ASSI { 6247} (( segid " " and resid 159 and name HG2 )) (( segid " " and resid 159 and name HB3 )) 2.600 0.900 0.900 peak 6247 spectrum 1 weight 0.10000E+01 volume 0.34204E-02 ppm1 2.456 ppm2 2.153 CV 1 ASSI { 6248} (( segid " " and resid 159 and name HG2 )) (( segid " " and resid 159 and name HB2 )) 2.800 1.000 1.000 peak 6248 spectrum 1 weight 0.10000E+01 volume 0.35150E-02 ppm1 2.456 ppm2 2.104 CV 1 ASSI { 6255} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 213 and name HD2%) 3.100 1.200 1.200 peak 6255 spectrum 1 weight 0.10000E+01 volume 0.24549E-02 ppm1 1.814 ppm2 0.847 CV 1 OR { 6255} (( segid " " and resid 162 and name HB3 )) ( segid " " and resid 213 and name HD1%) ASSI { 6271} (( segid " " and resid 188 and name HB3 )) (( segid " " and resid 188 and name HA )) 3.100 1.200 1.200 peak 6271 spectrum 1 weight 0.10000E+01 volume 0.81069E-03 ppm1 1.444 ppm2 4.170 CV 1 ASSI { 6273} (( segid " " and resid 188 and name HB3 )) (( segid " " and resid 188 and name HE3 )) 3.700 1.700 1.700 peak 6273 spectrum 1 weight 0.10000E+01 volume 0.83525E-03 ppm1 1.444 ppm2 2.203 CV 1 ASSI { 6276} (( segid " " and resid 188 and name HB3 )) (( segid " " and resid 188 and name HE2 )) 3.300 1.400 1.400 peak 6276 spectrum 1 weight 0.10000E+01 volume 0.22355E-02 ppm1 1.449 ppm2 1.176 CV 1 ASSI { 6277} (( segid " " and resid 188 and name HB3 )) ( segid " " and resid 185 and name HG2%) 3.400 3.400 2.600 peak 6277 spectrum 1 weight 0.10000E+01 volume 0.11602E-02 ppm1 1.445 ppm2 0.894 CV 1 ASSI { 6294} (( segid " " and resid 188 and name HB2 )) (( segid " " and resid 188 and name HA )) 3.700 1.800 1.800 peak 6294 spectrum 1 weight 0.10000E+01 volume 0.61867E-03 ppm1 1.146 ppm2 4.182 CV 1 ASSI { 6387} (( segid " " and resid 271 and name HB )) (( segid " " and resid 271 and name HA )) 2.600 0.800 0.800 peak 6387 spectrum 1 weight 0.10000E+01 volume 0.49000E-02 ppm1 2.212 ppm2 4.364 CV 1 ASSI { 6390} (( segid " " and resid 271 and name HB )) (( segid " " and resid 267 and name HG2 )) 3.800 1.800 1.800 peak 6390 spectrum 1 weight 0.10000E+01 volume 0.12700E-02 ppm1 2.213 ppm2 1.458 CV 1 OR { 6390} (( segid " " and resid 271 and name HB )) (( segid " " and resid 267 and name HG3 )) ASSI { 6418} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 188 and name HB2 )) 4.300 2.300 1.700 peak 6418 spectrum 1 weight 0.10000E+01 volume 0.64743E-03 ppm1 1.898 ppm2 1.168 CV 1 OR { 6418} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 188 and name HE2 )) ASSI { 6487} (( segid " " and resid 196 and name HB3 )) (( segid " " and resid 196 and name HA )) 3.200 1.200 1.200 peak 6487 spectrum 1 weight 0.10000E+01 volume 0.72852E-03 ppm1 2.613 ppm2 5.315 CV 1 ASSI { 6495} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 183 and name HB )) 3.200 1.300 1.300 peak 6495 spectrum 1 weight 0.10000E+01 volume 0.10107E-02 ppm1 2.500 ppm2 1.953 CV 1 ASSI { 6497} (( segid " " and resid 196 and name HB2 )) ( segid " " and resid 183 and name HG2%) 3.400 1.500 1.500 peak 6497 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 2.501 ppm2 0.825 CV 1 ASSI { 6503} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HA )) 2.600 0.800 0.800 peak 6503 spectrum 1 weight 0.10000E+01 volume 0.61659E-02 ppm1 2.284 ppm2 4.574 CV 1 OR { 6503} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HA )) ASSI { 6505} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 8 and name HD2 )) 2.800 1.000 1.000 peak 6505 spectrum 1 weight 0.10000E+01 volume 0.35285E-02 ppm1 2.283 ppm2 3.367 CV 1 OR { 6505} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 8 and name HD2 )) OR { 6505} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 8 and name HD3 )) ASSI { 6518} (( segid " " and resid 278 and name HB3 )) (( segid " " and resid 278 and name HB2 )) 2.200 0.600 0.600 peak 6518 spectrum 1 weight 0.10000E+01 volume 0.34784E-02 ppm1 1.946 ppm2 1.312 CV 1 ASSI { 6529} (( segid " " and resid 169 and name HB2 )) (( segid " " and resid 169 and name HB3 )) 1.900 0.500 0.500 peak 6529 spectrum 1 weight 0.10000E+01 volume 0.77347E-02 ppm1 1.630 ppm2 1.779 CV 1 ASSI { 6531} (( segid " " and resid 169 and name HB2 )) (( segid " " and resid 169 and name HG2 )) 2.900 1.000 1.000 peak 6531 spectrum 1 weight 0.10000E+01 volume 0.28264E-02 ppm1 1.628 ppm2 1.293 CV 1 OR { 6531} (( segid " " and resid 169 and name HB2 )) (( segid " " and resid 169 and name HG3 )) ASSI { 6532} (( segid " " and resid 202 and name HB2 )) ( segid " " and resid 195 and name HE% ) 3.100 1.200 1.200 peak 6532 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 1.551 ppm2 7.014 CV 1 OR { 6532} (( segid " " and resid 202 and name HB2 )) (( segid " " and resid 195 and name HZ )) ASSI { 6592} (( segid " " and resid 244 and name HB3 )) (( segid " " and resid 244 and name HA )) 3.200 1.200 1.200 peak 6592 spectrum 1 weight 0.10000E+01 volume 0.56218E-03 ppm1 2.506 ppm2 5.431 CV 1 ASSI { 6594} (( segid " " and resid 244 and name HB3 )) ( segid " " and resid 239 and name HB% ) 3.900 1.900 1.900 peak 6594 spectrum 1 weight 0.10000E+01 volume 0.12835E-02 ppm1 2.502 ppm2 1.350 CV 1 ASSI { 6601} (( segid " " and resid 244 and name HB2 )) ( segid " " and resid 239 and name HB% ) 3.100 1.200 1.200 peak 6601 spectrum 1 weight 0.10000E+01 volume 0.11804E-02 ppm1 2.474 ppm2 1.349 CV 1 ASSI { 6605} (( segid " " and resid 240 and name HB )) (( segid " " and resid 240 and name HA )) 2.500 0.800 0.800 peak 6605 spectrum 1 weight 0.10000E+01 volume 0.52148E-02 ppm1 2.301 ppm2 4.031 CV 1 ASSI { 6607} (( segid " " and resid 240 and name HB )) ( segid " " and resid 240 and name HG1%) 2.300 0.600 0.600 peak 6607 spectrum 1 weight 0.10000E+01 volume 0.93795E-02 ppm1 2.302 ppm2 0.965 CV 1 ASSI { 6609} (( segid " " and resid 197 and name HB3 )) (( segid " " and resid 197 and name HA )) 3.200 1.300 1.300 peak 6609 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 2.281 ppm2 5.192 CV 1 ASSI { 6611} (( segid " " and resid 197 and name HB3 )) ( segid " " and resid 186 and name HG1%) 3.300 1.400 1.400 peak 6611 spectrum 1 weight 0.10000E+01 volume 0.18248E-02 ppm1 2.282 ppm2 0.762 CV 1 ASSI { 6614} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 202 and name HG2 )) 3.300 1.400 1.400 peak 6614 spectrum 1 weight 0.10000E+01 volume 0.98815E-03 ppm1 2.198 ppm2 1.474 CV 1 ASSI { 6626} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 11 and name HA )) 3.400 1.400 1.400 peak 6626 spectrum 1 weight 0.10000E+01 volume 0.44177E-02 ppm1 1.884 ppm2 5.192 CV 1 OR { 6626} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 11 and name HA )) ASSI { 6627} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 263 and name HB3 )) 4.000 2.000 2.000 peak 6627 spectrum 1 weight 0.10000E+01 volume 0.58602E-03 ppm1 1.880 ppm2 3.127 CV 1 OR { 6627} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 263 and name HB3 )) ASSI { 6645} (( segid " " and resid 282 and name HB3 )) (( segid " " and resid 231 and name HA )) 4.000 2.000 2.000 peak 6645 spectrum 1 weight 0.10000E+01 volume 0.11056E-02 ppm1 1.548 ppm2 5.114 CV 1 ASSI { 6648} (( segid " " and resid 282 and name HB3 )) (( segid " " and resid 282 and name HA )) 2.800 1.000 1.000 peak 6648 spectrum 1 weight 0.10000E+01 volume 0.39513E-02 ppm1 1.551 ppm2 2.817 CV 1 ASSI { 6651} (( segid " " and resid 282 and name HB3 )) (( segid " " and resid 282 and name HB2 )) 1.800 0.400 0.400 peak 6651 spectrum 1 weight 0.10000E+01 volume 0.13965E-01 ppm1 1.551 ppm2 1.383 CV 1 ASSI { 6652} (( segid " " and resid 282 and name HB3 )) (( segid " " and resid 282 and name HG3 )) 2.400 0.700 0.700 peak 6652 spectrum 1 weight 0.10000E+01 volume 0.60460E-02 ppm1 1.550 ppm2 1.136 CV 1 OR { 6652} (( segid " " and resid 282 and name HB3 )) (( segid " " and resid 282 and name HG2 )) ASSI { 6655} (( segid " " and resid 282 and name HB2 )) ( segid " " and resid 231 and name HE% ) 3.100 1.200 1.200 peak 6655 spectrum 1 weight 0.10000E+01 volume 0.10421E-02 ppm1 1.380 ppm2 6.876 CV 1 ASSI { 6658} (( segid " " and resid 282 and name HB2 )) (( segid " " and resid 282 and name HA )) 2.400 0.700 0.700 peak 6658 spectrum 1 weight 0.10000E+01 volume 0.40588E-02 ppm1 1.382 ppm2 2.818 CV 1 ASSI { 6660} (( segid " " and resid 282 and name HB2 )) (( segid " " and resid 282 and name HB3 )) 1.700 0.400 0.500 peak 6660 spectrum 1 weight 0.10000E+01 volume 0.17282E-01 ppm1 1.380 ppm2 1.554 CV 1 OR { 6660} (( segid " " and resid 282 and name HB2 )) (( segid " " and resid 282 and name HD3 )) ASSI { 6662} (( segid " " and resid 282 and name HB2 )) (( segid " " and resid 282 and name HG2 )) 2.400 0.700 0.700 peak 6662 spectrum 1 weight 0.10000E+01 volume 0.58859E-02 ppm1 1.380 ppm2 1.137 CV 1 OR { 6662} (( segid " " and resid 282 and name HB2 )) (( segid " " and resid 282 and name HG3 )) ASSI { 6812} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 193 and name HZ2 )) 4.100 2.100 1.900 peak 6812 spectrum 1 weight 0.10000E+01 volume 0.54902E-03 ppm1 1.826 ppm2 7.157 CV 1 OR { 6812} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 193 and name HE3 )) ASSI { 6894} (( segid " " and resid 230 and name HB3 )) (( segid " " and resid 230 and name HA )) 2.400 0.700 0.700 peak 6894 spectrum 1 weight 0.10000E+01 volume 0.42595E-02 ppm1 2.284 ppm2 5.004 CV 1 ASSI { 6899} (( segid " " and resid 241 and name HB3 )) (( segid " " and resid 241 and name HA )) 2.800 1.000 1.000 peak 6899 spectrum 1 weight 0.10000E+01 volume 0.22509E-02 ppm1 2.225 ppm2 4.534 CV 1 ASSI { 6905} (( segid " " and resid 230 and name HB2 )) (( segid " " and resid 230 and name HA )) 2.800 1.000 1.000 peak 6905 spectrum 1 weight 0.10000E+01 volume 0.42014E-02 ppm1 2.065 ppm2 5.004 CV 1 ASSI { 6908} (( segid " " and resid 230 and name HB2 )) (( segid " " and resid 282 and name HA )) 3.800 3.800 2.200 peak 6908 spectrum 1 weight 0.10000E+01 volume 0.78351E-03 ppm1 2.065 ppm2 2.801 CV 1 ASSI { 6909} (( segid " " and resid 230 and name HB2 )) (( segid " " and resid 230 and name HB3 )) 1.900 0.500 0.500 peak 6909 spectrum 1 weight 0.10000E+01 volume 0.11026E-01 ppm1 2.063 ppm2 2.289 CV 1 OR { 6909} (( segid " " and resid 230 and name HB2 )) (( segid " " and resid 230 and name HG3 )) ASSI { 6910} (( segid " " and resid 230 and name HB2 )) (( segid " " and resid 282 and name HG3 )) 4.000 2.000 2.000 peak 6910 spectrum 1 weight 0.10000E+01 volume 0.49199E-03 ppm1 2.070 ppm2 1.142 CV 1 OR { 6910} (( segid " " and resid 230 and name HB2 )) (( segid " " and resid 282 and name HG2 )) ASSI { 6934} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 193 and name HH2 )) 4.000 2.000 2.000 peak 6934 spectrum 1 weight 0.10000E+01 volume 0.47544E-03 ppm1 1.826 ppm2 7.236 CV 1 ASSI { 6950} (( segid " " and resid 241 and name HB2 )) (( segid " " and resid 241 and name HA )) 3.200 1.300 1.300 peak 6950 spectrum 1 weight 0.10000E+01 volume 0.19924E-02 ppm1 1.676 ppm2 4.531 CV 1 ASSI { 6951} (( segid " " and resid 241 and name HB2 )) (( segid " " and resid 241 and name HB3 )) 2.200 0.600 0.600 peak 6951 spectrum 1 weight 0.10000E+01 volume 0.44921E-02 ppm1 1.676 ppm2 2.202 CV 1 OR { 6951} (( segid " " and resid 241 and name HB2 )) (( segid " " and resid 241 and name HG3 )) ASSI { 6952} (( segid " " and resid 241 and name HB2 )) ( segid " " and resid 240 and name HG1%) 4.000 2.000 2.000 peak 6952 spectrum 1 weight 0.10000E+01 volume 0.59027E-03 ppm1 1.678 ppm2 0.957 CV 1 ASSI { 7020} (( segid " " and resid 198 and name HG3 )) (( segid " " and resid 183 and name HA )) 3.600 1.600 1.600 peak 7020 spectrum 1 weight 0.10000E+01 volume 0.12795E-02 ppm1 2.550 ppm2 4.989 CV 1 ASSI { 7021} (( segid " " and resid 198 and name HG3 )) (( segid " " and resid 198 and name HA )) 3.200 1.300 1.300 peak 7021 spectrum 1 weight 0.10000E+01 volume 0.34665E-02 ppm1 2.551 ppm2 4.656 CV 1 ASSI { 7023} (( segid " " and resid 198 and name HG3 )) (( segid " " and resid 198 and name HB3 )) 2.800 1.000 1.000 peak 7023 spectrum 1 weight 0.10000E+01 volume 0.37106E-02 ppm1 2.551 ppm2 2.313 CV 1 ASSI { 7025} (( segid " " and resid 198 and name HG3 )) (( segid " " and resid 198 and name HB2 )) 2.300 0.600 0.600 peak 7025 spectrum 1 weight 0.10000E+01 volume 0.43166E-02 ppm1 2.551 ppm2 1.887 CV 1 ASSI { 7027} (( segid " " and resid 198 and name HG3 )) ( segid " " and resid 175 and name HE% ) 2.800 1.000 1.000 peak 7027 spectrum 1 weight 0.10000E+01 volume 0.15986E-02 ppm1 2.552 ppm2 1.681 CV 1 ASSI { 7029} (( segid " " and resid 198 and name HG3 )) ( segid " " and resid 183 and name HG1%) 2.900 1.100 1.100 peak 7029 spectrum 1 weight 0.10000E+01 volume 0.21701E-02 ppm1 2.551 ppm2 0.796 CV 1 ASSI { 7031} (( segid " " and resid 198 and name HG2 )) (( segid " " and resid 183 and name HA )) 3.000 1.100 1.100 peak 7031 spectrum 1 weight 0.10000E+01 volume 0.13197E-02 ppm1 2.478 ppm2 4.987 CV 1 ASSI { 7032} (( segid " " and resid 198 and name HG2 )) (( segid " " and resid 199 and name HE3 )) 3.800 1.800 1.800 peak 7032 spectrum 1 weight 0.10000E+01 volume 0.64187E-03 ppm1 2.478 ppm2 3.038 CV 1 OR { 7032} (( segid " " and resid 198 and name HG2 )) (( segid " " and resid 199 and name HE2 )) ASSI { 7033} (( segid " " and resid 198 and name HG2 )) (( segid " " and resid 196 and name HB2 )) 2.200 2.200 3.800 peak 7033 spectrum 1 weight 0.10000E+01 volume 0.15923E-01 ppm1 2.476 ppm2 2.512 CV 1 ASSI { 7034} (( segid " " and resid 198 and name HG2 )) (( segid " " and resid 198 and name HB3 )) 2.600 0.800 0.800 peak 7034 spectrum 1 weight 0.10000E+01 volume 0.39041E-02 ppm1 2.476 ppm2 2.319 CV 1 ASSI { 7035} (( segid " " and resid 198 and name HG2 )) (( segid " " and resid 198 and name HB2 )) 2.800 1.000 1.000 peak 7035 spectrum 1 weight 0.10000E+01 volume 0.41447E-02 ppm1 2.476 ppm2 1.888 CV 1 ASSI { 7037} (( segid " " and resid 198 and name HG2 )) (( segid " " and resid 199 and name HG3 )) 3.700 1.700 1.700 peak 7037 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 2.478 ppm2 1.529 CV 1 ASSI { 7039} (( segid " " and resid 198 and name HG2 )) ( segid " " and resid 183 and name HG1%) 2.900 1.000 1.000 peak 7039 spectrum 1 weight 0.10000E+01 volume 0.20269E-02 ppm1 2.477 ppm2 0.791 CV 1 ASSI { 7040} (( segid " " and resid 198 and name HG2 )) (( segid " " and resid 198 and name HA )) 2.400 0.700 0.700 peak 7040 spectrum 1 weight 0.10000E+01 volume 0.32657E-02 ppm1 2.474 ppm2 4.654 CV 1 ASSI { 7041} (( segid " " and resid 198 and name HG2 )) ( segid " " and resid 198 and name HE% ) 3.100 1.200 1.200 peak 7041 spectrum 1 weight 0.10000E+01 volume 0.23445E-02 ppm1 2.471 ppm2 2.162 CV 1 ASSI { 7092} (( segid " " and resid 206 and name HB3 )) ( segid " " and resid 209 and name HD% ) 4.000 2.000 2.000 peak 7092 spectrum 1 weight 0.10000E+01 volume 0.89191E-03 ppm1 1.679 ppm2 7.216 CV 1 ASSI { 7097} (( segid " " and resid 206 and name HB3 )) (( segid " " and resid 206 and name HG2 )) 3.700 1.700 1.700 peak 7097 spectrum 1 weight 0.10000E+01 volume 0.75289E-03 ppm1 1.679 ppm2 0.555 CV 1 ASSI { 7101} (( segid " " and resid 206 and name HB2 )) (( segid " " and resid 206 and name HA )) 3.400 1.500 1.500 peak 7101 spectrum 1 weight 0.10000E+01 volume 0.10057E-02 ppm1 1.381 ppm2 3.984 CV 1 ASSI { 7102} (( segid " " and resid 206 and name HB2 )) (( segid " " and resid 206 and name HB3 )) 2.600 0.800 0.800 peak 7102 spectrum 1 weight 0.10000E+01 volume 0.13315E-02 ppm1 1.384 ppm2 1.685 CV 1 ASSI { 7105} (( segid " " and resid 206 and name HB2 )) ( segid " " and resid 209 and name HD% ) 3.600 1.700 1.700 peak 7105 spectrum 1 weight 0.10000E+01 volume 0.58353E-03 ppm1 1.378 ppm2 7.209 CV 1 ASSI { 7294} (( segid " " and resid 168 and name HB3 )) (( segid " " and resid 169 and name HD3 )) 2.700 0.900 0.900 peak 7294 spectrum 1 weight 0.10000E+01 volume 0.36609E-02 ppm1 1.726 ppm2 2.092 CV 1 OR { 7294} (( segid " " and resid 168 and name HB3 )) (( segid " " and resid 169 and name HD2 )) ASSI { 7300} (( segid " " and resid 168 and name HB2 )) (( segid " " and resid 168 and name HA )) 2.700 0.900 0.900 peak 7300 spectrum 1 weight 0.10000E+01 volume 0.45459E-02 ppm1 1.617 ppm2 4.318 CV 1 ASSI { 7301} (( segid " " and resid 168 and name HB2 )) (( segid " " and resid 168 and name HB3 )) 1.800 0.400 0.400 peak 7301 spectrum 1 weight 0.10000E+01 volume 0.15600E-01 ppm1 1.619 ppm2 1.709 CV 1 ASSI { 7340} (( segid " " and resid 276 and name HB3 )) ( segid " " and resid 279 and name HD% ) 4.300 2.300 1.700 peak 7340 spectrum 1 weight 0.10000E+01 volume 0.52379E-03 ppm1 0.368 ppm2 6.528 CV 1 ASSI { 7341} (( segid " " and resid 276 and name HB3 )) (( segid " " and resid 276 and name HA )) 2.700 0.900 0.900 peak 7341 spectrum 1 weight 0.10000E+01 volume 0.14818E-02 ppm1 0.370 ppm2 3.449 CV 1 ASSI { 7342} (( segid " " and resid 276 and name HB3 )) (( segid " " and resid 276 and name HD3 )) 4.400 2.400 1.600 peak 7342 spectrum 1 weight 0.10000E+01 volume 0.54432E-03 ppm1 0.370 ppm2 2.176 CV 1 ASSI { 7343} (( segid " " and resid 276 and name HB3 )) (( segid " " and resid 12 and name HG3 )) 2.900 1.100 1.100 peak 7343 spectrum 1 weight 0.10000E+01 volume 0.11320E-02 ppm1 0.371 ppm2 1.543 CV 1 ASSI { 7344} (( segid " " and resid 276 and name HB3 )) (( segid " " and resid 276 and name HD2 )) 4.300 2.300 1.700 peak 7344 spectrum 1 weight 0.10000E+01 volume 0.61654E-03 ppm1 0.368 ppm2 0.656 CV 1 ASSI { 7345} (( segid " " and resid 276 and name HB3 )) (( segid " " and resid 276 and name HB2 )) 2.200 0.600 0.600 peak 7345 spectrum 1 weight 0.10000E+01 volume 0.28789E-02 ppm1 0.369 ppm2 0.219 CV 1 OR { 7345} (( segid " " and resid 276 and name HB3 )) (( segid " " and resid 276 and name HG3 )) ASSI { 7346} (( segid " " and resid 276 and name HB3 )) (( segid " " and resid 276 and name HG2 )) 3.300 1.300 1.300 peak 7346 spectrum 1 weight 0.10000E+01 volume 0.10124E-02 ppm1 0.372 ppm2 -0.391 CV 1 ASSI { 7352} (( segid " " and resid 276 and name HB2 )) (( segid " " and resid 276 and name HD2 )) 3.500 1.500 1.500 peak 7352 spectrum 1 weight 0.10000E+01 volume 0.51361E-03 ppm1 0.225 ppm2 0.677 CV 1 ASSI { 7353} (( segid " " and resid 276 and name HB2 )) (( segid " " and resid 276 and name HB3 )) 2.300 0.600 0.600 peak 7353 spectrum 1 weight 0.10000E+01 volume 0.19077E-02 ppm1 0.226 ppm2 0.363 CV 1 ASSI { 7356} (( segid " " and resid 276 and name HB2 )) (( segid " " and resid 276 and name HA )) 3.200 1.200 1.200 peak 7356 spectrum 1 weight 0.10000E+01 volume 0.14966E-02 ppm1 0.221 ppm2 3.450 CV 1 ASSI { 7393} (( segid " " and resid 190 and name HB3 )) (( segid " " and resid 264 and name HH2 )) 4.100 2.100 1.900 peak 7393 spectrum 1 weight 0.10000E+01 volume 0.73462E-03 ppm1 2.267 ppm2 7.226 CV 1 OR { 7393} (( segid " " and resid 190 and name HB2 )) (( segid " " and resid 264 and name HH2 )) ASSI { 7394} (( segid " " and resid 190 and name HB3 )) (( segid " " and resid 277 and name HB3 )) 4.100 2.100 1.900 peak 7394 spectrum 1 weight 0.10000E+01 volume 0.50710E-03 ppm1 2.269 ppm2 1.525 CV 1 OR { 7394} (( segid " " and resid 190 and name HB2 )) (( segid " " and resid 277 and name HB3 )) ASSI { 7395} (( segid " " and resid 190 and name HB3 )) (( segid " " and resid 264 and name HZ2 )) 4.000 2.000 2.000 peak 7395 spectrum 1 weight 0.10000E+01 volume 0.17943E-02 ppm1 2.264 ppm2 7.372 CV 1 OR { 7395} (( segid " " and resid 190 and name HB2 )) (( segid " " and resid 264 and name HZ2 )) ASSI { 7397} (( segid " " and resid 190 and name HB2 )) (( segid " " and resid 190 and name HA )) 2.200 0.600 0.600 peak 7397 spectrum 1 weight 0.10000E+01 volume 0.12957E-01 ppm1 2.264 ppm2 4.320 CV 1 OR { 7397} (( segid " " and resid 190 and name HB3 )) (( segid " " and resid 190 and name HA )) ASSI { 7446} (( segid " " and resid 258 and name HD3 )) (( segid " " and resid 264 and name HZ2 )) 2.900 2.900 3.100 peak 7446 spectrum 1 weight 0.10000E+01 volume 0.76248E-03 ppm1 1.197 ppm2 7.375 CV 1 OR { 7446} (( segid " " and resid 258 and name HD2 )) (( segid " " and resid 264 and name HZ2 )) ASSI { 7528} (( segid " " and resid 278 and name HG3 )) (( segid " " and resid 278 and name HB2 )) 2.600 0.900 0.900 peak 7528 spectrum 1 weight 0.10000E+01 volume 0.22503E-02 ppm1 2.093 ppm2 1.310 CV 1 ASSI { 7530} (( segid " " and resid 278 and name HG3 )) ( segid " " and resid 279 and name HD% ) 3.300 3.300 2.700 peak 7530 spectrum 1 weight 0.10000E+01 volume 0.60944E-03 ppm1 2.087 ppm2 6.521 CV 1 ASSI { 7532} (( segid " " and resid 278 and name HG3 )) (( segid " " and resid 278 and name HG2 )) 2.000 0.500 0.500 peak 7532 spectrum 1 weight 0.10000E+01 volume 0.63893E-02 ppm1 2.091 ppm2 1.600 CV 1 ASSI { 7533} (( segid " " and resid 278 and name HG3 )) (( segid " " and resid 235 and name HD2 )) 3.600 1.700 1.700 peak 7533 spectrum 1 weight 0.10000E+01 volume 0.61071E-03 ppm1 2.088 ppm2 1.198 CV 1 ASSI { 7535} (( segid " " and resid 278 and name HG3 )) (( segid " " and resid 276 and name HB2 )) 4.000 2.000 2.000 peak 7535 spectrum 1 weight 0.10000E+01 volume 0.65091E-03 ppm1 2.091 ppm2 0.217 CV 1 ASSI { 7577} (( segid " " and resid 278 and name HG2 )) (( segid " " and resid 276 and name HB3 )) 3.300 1.400 1.400 peak 7577 spectrum 1 weight 0.10000E+01 volume 0.62414E-03 ppm1 1.608 ppm2 0.366 CV 1 ASSI { 7578} (( segid " " and resid 278 and name HG2 )) (( segid " " and resid 276 and name HB2 )) 3.500 1.500 1.500 peak 7578 spectrum 1 weight 0.10000E+01 volume 0.57231E-03 ppm1 1.607 ppm2 0.209 CV 1 ASSI { 7580} (( segid " " and resid 278 and name HG2 )) (( segid " " and resid 279 and name HA )) 4.100 2.100 1.900 peak 7580 spectrum 1 weight 0.10000E+01 volume 0.70681E-03 ppm1 1.602 ppm2 4.974 CV 1 ASSI { 7585} (( segid " " and resid 278 and name HG2 )) (( segid " " and resid 12 and name HD3 )) 3.200 1.300 1.300 peak 7585 spectrum 1 weight 0.10000E+01 volume 0.83167E-03 ppm1 1.604 ppm2 3.827 CV 1 ASSI { 7588} (( segid " " and resid 278 and name HG2 )) (( segid " " and resid 278 and name HB3 )) 2.500 0.800 0.800 peak 7588 spectrum 1 weight 0.10000E+01 volume 0.35889E-02 ppm1 1.605 ppm2 1.953 CV 1 ASSI { 7610} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 13 and name HA )) 3.000 1.200 1.200 peak 7610 spectrum 1 weight 0.10000E+01 volume 0.94170E-03 ppm1 1.369 ppm2 3.964 CV 1 ASSI { 7611} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 14 and name HD3 )) 4.800 2.800 1.200 peak 7611 spectrum 1 weight 0.10000E+01 volume 0.49331E-03 ppm1 1.373 ppm2 3.630 CV 1 ASSI { 7639} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HD3 )) 4.100 2.100 1.900 peak 7639 spectrum 1 weight 0.10000E+01 volume 0.69225E-03 ppm1 0.402 ppm2 1.951 CV 1 ASSI { 7641} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HB3 )) 2.400 0.700 0.700 peak 7641 spectrum 1 weight 0.10000E+01 volume 0.20179E-02 ppm1 0.402 ppm2 1.024 CV 1 ASSI { 7643} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HA )) 3.500 1.500 1.500 peak 7643 spectrum 1 weight 0.10000E+01 volume 0.89824E-03 ppm1 -0.095 ppm2 3.970 CV 1 ASSI { 7645} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HB3 )) 2.700 0.900 0.900 peak 7645 spectrum 1 weight 0.10000E+01 volume 0.11213E-02 ppm1 -0.092 ppm2 1.369 CV 1 ASSI { 7720} (( segid " " and resid 235 and name HD3 )) ( segid " " and resid 279 and name HD% ) 3.600 1.700 1.700 peak 7720 spectrum 1 weight 0.10000E+01 volume 0.69813E-03 ppm1 1.302 ppm2 6.535 CV 1 ASSI { 7721} (( segid " " and resid 235 and name HD3 )) (( segid " " and resid 235 and name HA )) 3.100 1.200 1.200 peak 7721 spectrum 1 weight 0.10000E+01 volume 0.23274E-02 ppm1 1.301 ppm2 4.159 CV 1 ASSI { 7722} (( segid " " and resid 235 and name HD3 )) (( segid " " and resid 235 and name HE2 )) 2.100 0.600 0.600 peak 7722 spectrum 1 weight 0.10000E+01 volume 0.88029E-02 ppm1 1.302 ppm2 2.833 CV 1 ASSI { 7724} (( segid " " and resid 235 and name HD3 )) (( segid " " and resid 235 and name HD2 )) 1.600 0.300 0.600 peak 7724 spectrum 1 weight 0.10000E+01 volume 0.27076E-01 ppm1 1.302 ppm2 1.193 CV 1 ASSI { 7725} (( segid " " and resid 235 and name HD3 )) (( segid " " and resid 235 and name HB2 )) 2.900 1.000 1.000 peak 7725 spectrum 1 weight 0.10000E+01 volume 0.34942E-02 ppm1 1.303 ppm2 0.914 CV 1 ASSI { 7730} (( segid " " and resid 235 and name HD2 )) (( segid " " and resid 235 and name HA )) 3.400 1.400 1.400 peak 7730 spectrum 1 weight 0.10000E+01 volume 0.21851E-02 ppm1 1.194 ppm2 4.154 CV 1 ASSI { 7731} (( segid " " and resid 235 and name HD2 )) (( segid " " and resid 235 and name HE2 )) 2.400 0.700 0.700 peak 7731 spectrum 1 weight 0.10000E+01 volume 0.79798E-02 ppm1 1.195 ppm2 2.834 CV 1 ASSI { 7734} (( segid " " and resid 235 and name HD2 )) (( segid " " and resid 235 and name HB2 )) 3.000 1.100 1.100 peak 7734 spectrum 1 weight 0.10000E+01 volume 0.38862E-02 ppm1 1.197 ppm2 0.923 CV 1 ASSI { 7740} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 8 and name HD2 )) 3.500 1.500 1.500 peak 7740 spectrum 1 weight 0.10000E+01 volume 0.11343E-02 ppm1 1.032 ppm2 3.376 CV 1 OR { 7740} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 8 and name HD3 )) ASSI { 7749} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HD3 )) 4.000 2.000 2.000 peak 7749 spectrum 1 weight 0.10000E+01 volume 0.95975E-03 ppm1 0.401 ppm2 3.369 CV 1 OR { 7749} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HD2 )) ASSI { 7750} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) 3.300 1.400 1.400 peak 7750 spectrum 1 weight 0.10000E+01 volume 0.11354E-02 ppm1 0.399 ppm2 2.307 CV 1 ASSI { 7773} (( segid " " and resid 259 and name HG )) (( segid " " and resid 257 and name HB2 )) 4.100 2.100 1.900 peak 7773 spectrum 1 weight 0.10000E+01 volume 0.63884E-03 ppm1 1.195 ppm2 2.497 CV 1 ASSI { 7774} (( segid " " and resid 259 and name HG )) (( segid " " and resid 259 and name HB3 )) 2.900 1.100 1.100 peak 7774 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 1.193 ppm2 2.069 CV 1 ASSI { 7775} (( segid " " and resid 259 and name HG )) (( segid " " and resid 259 and name HB2 )) 3.100 1.200 1.200 peak 7775 spectrum 1 weight 0.10000E+01 volume 0.16479E-02 ppm1 1.193 ppm2 1.705 CV 1 ASSI { 7778} (( segid " " and resid 259 and name HG )) (( segid " " and resid 259 and name HA )) 3.000 1.100 1.100 peak 7778 spectrum 1 weight 0.10000E+01 volume 0.18135E-02 ppm1 1.192 ppm2 3.985 CV 1 ASSI { 7779} (( segid " " and resid 259 and name HG )) (( segid " " and resid 257 and name HB3 )) 3.500 1.500 1.500 peak 7779 spectrum 1 weight 0.10000E+01 volume 0.64503E-03 ppm1 1.190 ppm2 3.214 CV 1 ASSI { 7797} (( segid " " and resid 206 and name HG3 )) ( segid " " and resid 209 and name HD% ) 3.900 1.900 1.900 peak 7797 spectrum 1 weight 0.10000E+01 volume 0.57557E-03 ppm1 0.782 ppm2 7.215 CV 1 ASSI { 7798} (( segid " " and resid 206 and name HG3 )) (( segid " " and resid 206 and name HA )) 4.000 2.000 2.000 peak 7798 spectrum 1 weight 0.10000E+01 volume 0.68379E-03 ppm1 0.780 ppm2 3.993 CV 1 ASSI { 7802} (( segid " " and resid 206 and name HG3 )) (( segid " " and resid 206 and name HB2 )) 3.800 1.800 1.800 peak 7802 spectrum 1 weight 0.10000E+01 volume 0.63933E-03 ppm1 0.776 ppm2 1.375 CV 1 ASSI { 7805} (( segid " " and resid 206 and name HG3 )) (( segid " " and resid 206 and name HG2 )) 2.400 0.700 0.700 peak 7805 spectrum 1 weight 0.10000E+01 volume 0.18404E-02 ppm1 0.777 ppm2 0.567 CV 1 ASSI { 7808} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 193 and name HH2 )) 4.400 2.400 1.600 peak 7808 spectrum 1 weight 0.10000E+01 volume 0.51547E-03 ppm1 0.547 ppm2 7.264 CV 1 ASSI { 7810} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 206 and name HA )) 3.900 1.900 1.900 peak 7810 spectrum 1 weight 0.10000E+01 volume 0.82398E-03 ppm1 0.547 ppm2 3.982 CV 1 ASSI { 7811} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 14 and name HD3 )) 3.100 3.100 2.900 peak 7811 spectrum 1 weight 0.10000E+01 volume 0.46359E-03 ppm1 0.550 ppm2 3.641 CV 1 ASSI { 7812} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 206 and name HD3 )) 3.700 1.700 1.700 peak 7812 spectrum 1 weight 0.10000E+01 volume 0.75692E-03 ppm1 0.546 ppm2 2.713 CV 1 ASSI { 7813} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 14 and name HG3 )) 4.300 2.300 1.700 peak 7813 spectrum 1 weight 0.10000E+01 volume 0.47770E-03 ppm1 0.544 ppm2 2.044 CV 1 ASSI { 7816} (( segid " " and resid 206 and name HG2 )) ( segid " " and resid 165 and name HB% ) 4.300 2.300 1.700 peak 7816 spectrum 1 weight 0.10000E+01 volume 0.75968E-03 ppm1 0.544 ppm2 1.057 CV 1 ASSI { 7853} (( segid " " and resid 230 and name HG3 )) (( segid " " and resid 230 and name HA )) 3.000 1.100 1.100 peak 7853 spectrum 1 weight 0.10000E+01 volume 0.30659E-02 ppm1 2.280 ppm2 5.004 CV 1 ASSI { 7856} (( segid " " and resid 230 and name HG3 )) (( segid " " and resid 230 and name HG2 )) 1.900 0.500 0.500 peak 7856 spectrum 1 weight 0.10000E+01 volume 0.99801E-02 ppm1 2.280 ppm2 2.066 CV 1 OR { 7856} (( segid " " and resid 230 and name HG3 )) (( segid " " and resid 230 and name HB2 )) ASSI { 7870} (( segid " " and resid 230 and name HG2 )) (( segid " " and resid 230 and name HA )) 3.300 1.300 1.300 peak 7870 spectrum 1 weight 0.10000E+01 volume 0.36061E-02 ppm1 2.074 ppm2 5.005 CV 1 ASSI { 7872} (( segid " " and resid 230 and name HG2 )) (( segid " " and resid 230 and name HG3 )) 1.800 0.400 0.400 peak 7872 spectrum 1 weight 0.10000E+01 volume 0.15815E-01 ppm1 2.073 ppm2 2.286 CV 1 OR { 7872} (( segid " " and resid 230 and name HG2 )) (( segid " " and resid 230 and name HB3 )) ASSI { 7877} (( segid " " and resid 14 and name HG3 )) ( segid " " and resid 167 and name HE% ) 3.000 1.100 1.100 peak 7877 spectrum 1 weight 0.10000E+01 volume 0.16010E-02 ppm1 2.055 ppm2 6.786 CV 1 ASSI { 7878} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HD2 )) 3.300 1.400 1.400 peak 7878 spectrum 1 weight 0.10000E+01 volume 0.12546E-02 ppm1 2.053 ppm2 2.801 CV 1 ASSI { 7879} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HG2 )) 2.100 0.500 0.500 peak 7879 spectrum 1 weight 0.10000E+01 volume 0.48919E-02 ppm1 2.056 ppm2 1.808 CV 1 ASSI { 7892} (( segid " " and resid 14 and name HG2 )) ( segid " " and resid 167 and name HE% ) 3.500 1.500 1.500 peak 7892 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 1.805 ppm2 6.780 CV 1 ASSI { 7894} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 13 and name HA )) 4.400 2.400 1.600 peak 7894 spectrum 1 weight 0.10000E+01 volume 0.87445E-03 ppm1 1.807 ppm2 3.945 CV 1 ASSI { 7899} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 206 and name HG2 )) 3.500 1.500 1.500 peak 7899 spectrum 1 weight 0.10000E+01 volume 0.61889E-03 ppm1 1.803 ppm2 0.557 CV 1 ASSI { 7900} (( segid " " and resid 14 and name HG2 )) ( segid " " and resid 209 and name HE% ) 3.100 1.200 1.200 peak 7900 spectrum 1 weight 0.10000E+01 volume 0.10470E-02 ppm1 1.802 ppm2 7.321 CV 1 ASSI { 7901} (( segid " " and resid 14 and name HG2 )) ( segid " " and resid 209 and name HD% ) 3.500 1.500 1.500 peak 7901 spectrum 1 weight 0.10000E+01 volume 0.94708E-03 ppm1 1.801 ppm2 7.231 CV 1 OR { 7901} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 209 and name HZ )) ASSI { 7902} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HD2 )) 2.800 1.000 1.000 peak 7902 spectrum 1 weight 0.10000E+01 volume 0.13084E-02 ppm1 1.802 ppm2 2.803 CV 1 ASSI { 7912} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 263 and name HZ2 )) 4.200 2.300 1.800 peak 7912 spectrum 1 weight 0.10000E+01 volume 0.48173E-03 ppm1 1.538 ppm2 7.175 CV 1 ASSI { 7913} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 12 and name HD3 )) 2.800 1.000 1.000 peak 7913 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 1.535 ppm2 3.833 CV 1 ASSI { 7915} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 276 and name HG3 )) 3.200 1.300 1.300 peak 7915 spectrum 1 weight 0.10000E+01 volume 0.92909E-03 ppm1 1.535 ppm2 0.213 CV 1 OR { 7915} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 276 and name HB2 )) ASSI { 7916} (( segid " " and resid 12 and name HG3 )) ( segid " " and resid 279 and name HE% ) 3.500 3.500 2.500 peak 7916 spectrum 1 weight 0.10000E+01 volume 0.60623E-03 ppm1 1.533 ppm2 6.763 CV 1 ASSI { 7928} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD3 )) 3.600 1.600 1.600 peak 7928 spectrum 1 weight 0.10000E+01 volume 0.11979E-02 ppm1 0.889 ppm2 3.825 CV 1 ASSI { 7929} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD2 )) 2.800 1.000 1.000 peak 7929 spectrum 1 weight 0.10000E+01 volume 0.12486E-02 ppm1 0.885 ppm2 3.620 CV 1 ASSI { 7930} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HG3 )) 2.200 0.600 0.600 peak 7930 spectrum 1 weight 0.10000E+01 volume 0.33848E-02 ppm1 0.890 ppm2 1.549 CV 1 ASSI { 7931} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 276 and name HG3 )) 3.500 1.500 1.500 peak 7931 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 0.887 ppm2 0.212 CV 1 OR { 7931} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 276 and name HB2 )) ASSI { 7947} (( segid " " and resid 206 and name HG3 )) (( segid " " and resid 206 and name HD3 )) 3.000 1.100 1.100 peak 7947 spectrum 1 weight 0.10000E+01 volume 0.83696E-03 ppm1 0.780 ppm2 2.714 CV 1 ASSI { 7950} (( segid " " and resid 206 and name HG3 )) (( segid " " and resid 206 and name HB3 )) 2.900 1.000 1.000 peak 7950 spectrum 1 weight 0.10000E+01 volume 0.11741E-02 ppm1 0.776 ppm2 1.682 CV 1 ASSI { 7955} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 206 and name HD2 )) 3.000 1.200 1.200 peak 7955 spectrum 1 weight 0.10000E+01 volume 0.75882E-03 ppm1 0.546 ppm2 2.334 CV 1 ASSI { 8134} (( segid " " and resid 280 and name HG )) (( segid " " and resid 231 and name HB2 )) 3.700 1.700 1.700 peak 8134 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 0.637 ppm2 2.736 CV 1 OR { 8134} (( segid " " and resid 280 and name HG )) (( segid " " and resid 231 and name HB3 )) ASSI { 8135} (( segid " " and resid 280 and name HG )) (( segid " " and resid 264 and name HZ3 )) 4.100 2.100 1.900 peak 8135 spectrum 1 weight 0.10000E+01 volume 0.75036E-03 ppm1 0.631 ppm2 6.113 CV 1 ASSI { 8180} (( segid " " and resid 202 and name HG3 )) ( segid " " and resid 195 and name HE% ) 3.200 3.200 2.800 peak 8180 spectrum 1 weight 0.10000E+01 volume 0.11870E-02 ppm1 1.509 ppm2 7.009 CV 1 OR { 8180} (( segid " " and resid 202 and name HG3 )) (( segid " " and resid 195 and name HZ )) ASSI { 8184} (( segid " " and resid 202 and name HG2 )) ( segid " " and resid 195 and name HE% ) 3.900 1.900 1.900 peak 8184 spectrum 1 weight 0.10000E+01 volume 0.12141E-02 ppm1 1.467 ppm2 7.009 CV 1 OR { 8184} (( segid " " and resid 202 and name HG2 )) (( segid " " and resid 195 and name HZ )) ASSI { 8188} (( segid " " and resid 202 and name HG2 )) (( segid " " and resid 203 and name HA2 )) 4.400 2.400 1.600 peak 8188 spectrum 1 weight 0.10000E+01 volume 0.53030E-03 ppm1 1.466 ppm2 3.896 CV 1 ASSI { 8249} (( segid " " and resid 280 and name HG )) (( segid " " and resid 233 and name HA )) 3.600 1.600 1.600 peak 8249 spectrum 1 weight 0.10000E+01 volume 0.11676E-02 ppm1 0.635 ppm2 5.156 CV 1 ASSI { 8255} (( segid " " and resid 280 and name HG )) (( segid " " and resid 264 and name HE3 )) 3.600 1.600 1.600 peak 8255 spectrum 1 weight 0.10000E+01 volume 0.20528E-02 ppm1 0.633 ppm2 6.787 CV 1 ASSI { 8256} (( segid " " and resid 280 and name HG )) (( segid " " and resid 280 and name HA )) 3.200 1.200 1.200 peak 8256 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 0.633 ppm2 5.510 CV 1 ASSI { 8257} (( segid " " and resid 280 and name HG )) (( segid " " and resid 264 and name HB3 )) 4.000 2.000 2.000 peak 8257 spectrum 1 weight 0.10000E+01 volume 0.12647E-02 ppm1 0.634 ppm2 2.938 CV 1 ASSI { 8258} (( segid " " and resid 280 and name HG )) (( segid " " and resid 277 and name HA )) 2.800 0.900 0.900 peak 8258 spectrum 1 weight 0.10000E+01 volume 0.30286E-02 ppm1 0.633 ppm2 2.638 CV 1 ASSI { 8260} (( segid " " and resid 280 and name HG )) (( segid " " and resid 280 and name HB3 )) 2.600 0.900 0.900 peak 8260 spectrum 1 weight 0.10000E+01 volume 0.45283E-02 ppm1 0.633 ppm2 1.791 CV 1 ASSI { 8261} (( segid " " and resid 280 and name HG )) (( segid " " and resid 280 and name HB2 )) 2.700 0.900 0.900 peak 8261 spectrum 1 weight 0.10000E+01 volume 0.24512E-02 ppm1 0.634 ppm2 1.432 CV 1 ASSI { 8262} (( segid " " and resid 280 and name HG )) ( segid " " and resid 266 and name HG2%) 3.100 1.200 1.200 peak 8262 spectrum 1 weight 0.10000E+01 volume 0.32552E-02 ppm1 0.633 ppm2 0.911 CV 1 ASSI { 8265} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HB3 )) 3.600 1.600 1.600 peak 8265 spectrum 1 weight 0.10000E+01 volume 0.75398E-03 ppm1 -0.579 ppm2 1.849 CV 1 ASSI { 8266} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HB2 )) 3.100 1.200 1.200 peak 8266 spectrum 1 weight 0.10000E+01 volume 0.83176E-03 ppm1 -0.581 ppm2 0.723 CV 1 ASSI { 8305} (( segid " " and resid 177 and name HG )) (( segid " " and resid 177 and name HA )) 3.200 1.300 1.300 peak 8305 spectrum 1 weight 0.10000E+01 volume 0.98738E-03 ppm1 1.748 ppm2 4.912 CV 1 ASSI { 8317} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HD2 )) 2.700 0.900 0.900 peak 8317 spectrum 1 weight 0.10000E+01 volume 0.30955E-02 ppm1 1.512 ppm2 3.371 CV 1 OR { 8317} (( segid " " and resid 8 and name HG3 )) (( segid " " and resid 8 and name HD3 )) OR { 8317} (( segid " " and resid 8 and name HG3 )) (( segid " " and resid 8 and name HD2 )) OR { 8317} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HD3 )) ASSI { 8319} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HB3 )) 2.900 1.000 1.000 peak 8319 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 1.506 ppm2 1.023 CV 1 OR { 8319} (( segid " " and resid 8 and name HG3 )) (( segid " " and resid 8 and name HB3 )) ASSI { 8385} ( segid " " and resid 210 and name HD1%) ( segid " " and resid 161 and name HD% ) 2.900 1.100 1.100 peak 8385 spectrum 1 weight 0.10000E+01 volume 0.25966E-02 ppm1 0.597 ppm2 6.822 CV 1 ASSI { 8386} ( segid " " and resid 210 and name HD1%) (( segid " " and resid 194 and name HE3 )) 2.800 0.900 0.900 peak 8386 spectrum 1 weight 0.10000E+01 volume 0.26576E-02 ppm1 0.596 ppm2 6.731 CV 1 ASSI { 8387} ( segid " " and resid 210 and name HD1%) (( segid " " and resid 210 and name HA )) 3.900 1.900 1.900 peak 8387 spectrum 1 weight 0.10000E+01 volume 0.16018E-02 ppm1 0.597 ppm2 5.421 CV 1 ASSI { 8388} ( segid " " and resid 210 and name HD1%) (( segid " " and resid 163 and name HA )) 3.800 1.800 1.800 peak 8388 spectrum 1 weight 0.10000E+01 volume 0.21396E-02 ppm1 0.597 ppm2 5.224 CV 1 ASSI { 8391} ( segid " " and resid 210 and name HD1%) (( segid " " and resid 212 and name HD3 )) 4.000 2.000 2.000 peak 8391 spectrum 1 weight 0.10000E+01 volume 0.46509E-03 ppm1 0.598 ppm2 4.038 CV 1 ASSI { 8393} ( segid " " and resid 210 and name HD1%) (( segid " " and resid 207 and name HA )) 2.800 1.000 1.000 peak 8393 spectrum 1 weight 0.10000E+01 volume 0.36666E-02 ppm1 0.596 ppm2 2.536 CV 1 ASSI { 8395} ( segid " " and resid 210 and name HD1%) (( segid " " and resid 210 and name HB3 )) 2.500 0.800 0.800 peak 8395 spectrum 1 weight 0.10000E+01 volume 0.39764E-02 ppm1 0.596 ppm2 1.688 CV 1 ASSI { 8396} ( segid " " and resid 210 and name HD1%) (( segid " " and resid 210 and name HB2 )) 2.600 0.800 0.800 peak 8396 spectrum 1 weight 0.10000E+01 volume 0.58298E-02 ppm1 0.597 ppm2 1.364 CV 1 ASSI { 8397} ( segid " " and resid 210 and name HD1%) ( segid " " and resid 183 and name HG2%) 2.400 0.700 0.700 peak 8397 spectrum 1 weight 0.10000E+01 volume 0.61179E-02 ppm1 0.596 ppm2 0.857 CV 1 ASSI { 8399} ( segid " " and resid 210 and name HD1%) ( segid " " and resid 185 and name HG1%) 2.800 2.800 3.200 peak 8399 spectrum 1 weight 0.10000E+01 volume 0.93555E-03 ppm1 0.599 ppm2 0.386 CV 1 ASSI { 8404} (( segid " " and resid 276 and name HG3 )) (( segid " " and resid 263 and name HE3 )) 3.700 1.700 1.700 peak 8404 spectrum 1 weight 0.10000E+01 volume 0.63789E-03 ppm1 0.192 ppm2 6.974 CV 1 ASSI { 8406} (( segid " " and resid 276 and name HG3 )) (( segid " " and resid 275 and name HA )) 4.600 2.700 1.400 peak 8406 spectrum 1 weight 0.10000E+01 volume 0.72024E-03 ppm1 0.191 ppm2 4.897 CV 1 ASSI { 8408} (( segid " " and resid 276 and name HG3 )) (( segid " " and resid 276 and name HD3 )) 2.900 1.000 1.000 peak 8408 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 0.194 ppm2 2.193 CV 1 ASSI { 8409} (( segid " " and resid 276 and name HG3 )) (( segid " " and resid 12 and name HG3 )) 3.000 1.100 1.100 peak 8409 spectrum 1 weight 0.10000E+01 volume 0.11238E-02 ppm1 0.193 ppm2 1.542 CV 1 ASSI { 8410} (( segid " " and resid 276 and name HG3 )) (( segid " " and resid 276 and name HD2 )) 3.500 1.500 1.500 peak 8410 spectrum 1 weight 0.10000E+01 volume 0.13650E-02 ppm1 0.191 ppm2 0.677 CV 1 ASSI { 8413} (( segid " " and resid 276 and name HG3 )) (( segid " " and resid 276 and name HA )) 3.200 1.300 1.300 peak 8413 spectrum 1 weight 0.10000E+01 volume 0.81431E-03 ppm1 0.187 ppm2 3.450 CV 1 ASSI { 8414} (( segid " " and resid 276 and name HG3 )) (( segid " " and resid 12 and name HG2 )) 3.900 1.900 1.900 peak 8414 spectrum 1 weight 0.10000E+01 volume 0.54382E-03 ppm1 0.188 ppm2 0.881 CV 1 ASSI { 8415} (( segid " " and resid 276 and name HG3 )) (( segid " " and resid 276 and name HB3 )) 2.700 0.900 0.900 peak 8415 spectrum 1 weight 0.10000E+01 volume 0.13996E-02 ppm1 0.188 ppm2 0.351 CV 1 ASSI { 8416} (( segid " " and resid 276 and name HG3 )) (( segid " " and resid 276 and name HG2 )) 2.300 0.600 0.600 peak 8416 spectrum 1 weight 0.10000E+01 volume 0.25017E-02 ppm1 0.190 ppm2 -0.388 CV 1 ASSI { 8420} (( segid " " and resid 276 and name HG2 )) (( segid " " and resid 275 and name HA )) 4.800 2.800 1.200 peak 8420 spectrum 1 weight 0.10000E+01 volume 0.76221E-03 ppm1 -0.388 ppm2 4.887 CV 1 ASSI { 8423} (( segid " " and resid 276 and name HG2 )) (( segid " " and resid 276 and name HD3 )) 3.300 1.400 1.400 peak 8423 spectrum 1 weight 0.10000E+01 volume 0.11242E-02 ppm1 -0.385 ppm2 2.193 CV 1 ASSI { 8424} (( segid " " and resid 276 and name HG2 )) (( segid " " and resid 12 and name HG2 )) 4.100 2.100 1.900 peak 8424 spectrum 1 weight 0.10000E+01 volume 0.55133E-03 ppm1 -0.386 ppm2 0.889 CV 1 ASSI { 8425} (( segid " " and resid 276 and name HG2 )) (( segid " " and resid 276 and name HD2 )) 2.800 1.000 1.000 peak 8425 spectrum 1 weight 0.10000E+01 volume 0.12195E-02 ppm1 -0.386 ppm2 0.672 CV 1 ASSI { 8427} (( segid " " and resid 276 and name HG2 )) (( segid " " and resid 276 and name HG3 )) 2.200 0.600 0.600 peak 8427 spectrum 1 weight 0.10000E+01 volume 0.31443E-02 ppm1 -0.389 ppm2 0.198 CV 1 OR { 8427} (( segid " " and resid 276 and name HG2 )) (( segid " " and resid 276 and name HB2 )) ASSI { 8428} (( segid " " and resid 276 and name HG2 )) (( segid " " and resid 263 and name HZ2 )) 4.000 2.000 2.000 peak 8428 spectrum 1 weight 0.10000E+01 volume 0.62486E-03 ppm1 -0.392 ppm2 7.173 CV 1 ASSI { 8429} (( segid " " and resid 276 and name HG2 )) (( segid " " and resid 263 and name HE3 )) 4.000 2.000 2.000 peak 8429 spectrum 1 weight 0.10000E+01 volume 0.56955E-03 ppm1 -0.393 ppm2 6.977 CV 1 ASSI { 8430} (( segid " " and resid 276 and name HG2 )) ( segid " " and resid 279 and name HE% ) 3.600 1.700 1.700 peak 8430 spectrum 1 weight 0.10000E+01 volume 0.50534E-03 ppm1 -0.390 ppm2 6.752 CV 1 ASSI { 8431} (( segid " " and resid 276 and name HG2 )) (( segid " " and resid 12 and name HG3 )) 2.900 1.000 1.000 peak 8431 spectrum 1 weight 0.10000E+01 volume 0.98638E-03 ppm1 -0.389 ppm2 1.534 CV 1 ASSI { 8468} ( segid " " and resid 260 and name HD1%) (( segid " " and resid 194 and name HZ2 )) 3.100 1.200 1.200 peak 8468 spectrum 1 weight 0.10000E+01 volume 0.31132E-02 ppm1 1.044 ppm2 7.268 CV 1 ASSI { 8469} ( segid " " and resid 260 and name HD1%) (( segid " " and resid 194 and name HH2 )) 2.600 2.600 3.400 peak 8469 spectrum 1 weight 0.10000E+01 volume 0.15046E-02 ppm1 1.046 ppm2 6.993 CV 1 ASSI { 8470} ( segid " " and resid 260 and name HD1%) (( segid " " and resid 189 and name HB3 )) 2.200 2.200 3.800 peak 8470 spectrum 1 weight 0.10000E+01 volume 0.39565E-02 ppm1 1.044 ppm2 4.783 CV 1 ASSI { 8472} ( segid " " and resid 260 and name HD1%) (( segid " " and resid 260 and name HA )) 2.500 0.800 0.800 peak 8472 spectrum 1 weight 0.10000E+01 volume 0.47897E-02 ppm1 1.044 ppm2 4.238 CV 1 ASSI { 8476} ( segid " " and resid 260 and name HD1%) (( segid " " and resid 261 and name HB3 )) 3.800 3.800 2.200 peak 8476 spectrum 1 weight 0.10000E+01 volume 0.96929E-03 ppm1 1.043 ppm2 3.022 CV 1 ASSI { 8477} ( segid " " and resid 260 and name HD1%) (( segid " " and resid 190 and name HG3 )) 3.000 1.100 1.100 peak 8477 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 1.046 ppm2 2.538 CV 1 ASSI { 8480} ( segid " " and resid 260 and name HD1%) (( segid " " and resid 260 and name HG )) 1.900 0.400 0.400 peak 8480 spectrum 1 weight 0.10000E+01 volume 0.21545E-01 ppm1 1.045 ppm2 1.955 CV 1 OR { 8480} ( segid " " and resid 260 and name HD1%) (( segid " " and resid 260 and name HB3 )) ASSI { 8481} ( segid " " and resid 260 and name HD1%) (( segid " " and resid 260 and name HB2 )) 2.700 0.900 0.900 peak 8481 spectrum 1 weight 0.10000E+01 volume 0.92578E-02 ppm1 1.047 ppm2 1.706 CV 1 ASSI { 8483} ( segid " " and resid 260 and name HD1%) ( segid " " and resid 207 and name HB% ) 2.900 1.100 1.100 peak 8483 spectrum 1 weight 0.10000E+01 volume 0.20883E-02 ppm1 1.043 ppm2 -0.357 CV 1 ASSI { 8556} (( segid " " and resid 282 and name HG2 )) ( segid " " and resid 231 and name HE% ) 3.100 3.100 2.900 peak 8556 spectrum 1 weight 0.10000E+01 volume 0.21882E-02 ppm1 1.135 ppm2 6.878 CV 1 OR { 8556} (( segid " " and resid 282 and name HG3 )) ( segid " " and resid 231 and name HE% ) ASSI { 8557} (( segid " " and resid 282 and name HG2 )) (( segid " " and resid 231 and name HA )) 3.600 1.600 1.600 peak 8557 spectrum 1 weight 0.10000E+01 volume 0.16501E-02 ppm1 1.134 ppm2 5.108 CV 1 OR { 8557} (( segid " " and resid 282 and name HG3 )) (( segid " " and resid 231 and name HA )) ASSI { 8562} (( segid " " and resid 282 and name HG2 )) (( segid " " and resid 282 and name HA )) 2.300 0.700 0.700 peak 8562 spectrum 1 weight 0.10000E+01 volume 0.75226E-02 ppm1 1.135 ppm2 2.823 CV 1 OR { 8562} (( segid " " and resid 282 and name HG3 )) (( segid " " and resid 282 and name HA )) ASSI { 8564} (( segid " " and resid 282 and name HG2 )) (( segid " " and resid 282 and name HD3 )) 2.000 0.500 0.500 peak 8564 spectrum 1 weight 0.10000E+01 volume 0.17303E-01 ppm1 1.135 ppm2 1.561 CV 1 OR { 8564} (( segid " " and resid 282 and name HG3 )) (( segid " " and resid 282 and name HB3 )) OR { 8564} (( segid " " and resid 282 and name HG3 )) (( segid " " and resid 282 and name HD2 )) OR { 8564} (( segid " " and resid 282 and name HG2 )) (( segid " " and resid 282 and name HD2 )) OR { 8564} (( segid " " and resid 282 and name HG2 )) (( segid " " and resid 282 and name HB3 )) ASSI { 8571} ( segid " " and resid 259 and name HD1%) (( segid " " and resid 257 and name HE1 )) 4.300 2.300 1.700 peak 8571 spectrum 1 weight 0.10000E+01 volume 0.47074E-03 ppm1 1.066 ppm2 7.793 CV 1 ASSI { 8572} ( segid " " and resid 259 and name HD1%) (( segid " " and resid 264 and name HD1 )) 3.100 1.200 1.200 peak 8572 spectrum 1 weight 0.10000E+01 volume 0.17035E-02 ppm1 1.061 ppm2 7.172 CV 1 ASSI { 8574} ( segid " " and resid 259 and name HD1%) ( segid " " and resid 274 and name HE% ) 2.500 2.500 3.500 peak 8574 spectrum 1 weight 0.10000E+01 volume 0.52356E-02 ppm1 1.063 ppm2 6.786 CV 1 ASSI { 8575} ( segid " " and resid 259 and name HD1%) (( segid " " and resid 257 and name HD2 )) 3.700 1.800 1.800 peak 8575 spectrum 1 weight 0.10000E+01 volume 0.62455E-03 ppm1 1.065 ppm2 6.393 CV 1 ASSI { 8576} ( segid " " and resid 259 and name HD1%) (( segid " " and resid 264 and name HA )) 2.800 1.000 1.000 peak 8576 spectrum 1 weight 0.10000E+01 volume 0.20730E-02 ppm1 1.062 ppm2 5.187 CV 1 ASSI { 8577} ( segid " " and resid 259 and name HD1%) (( segid " " and resid 257 and name HA )) 3.800 1.800 1.800 peak 8577 spectrum 1 weight 0.10000E+01 volume 0.78794E-03 ppm1 1.061 ppm2 4.988 CV 1 ASSI { 8578} ( segid " " and resid 259 and name HD1%) (( segid " " and resid 259 and name HA )) 3.000 1.100 1.100 peak 8578 spectrum 1 weight 0.10000E+01 volume 0.52067E-02 ppm1 1.062 ppm2 3.986 CV 1 ASSI { 8579} ( segid " " and resid 259 and name HD1%) (( segid " " and resid 257 and name HB3 )) 3.100 1.200 1.200 peak 8579 spectrum 1 weight 0.10000E+01 volume 0.16476E-02 ppm1 1.063 ppm2 3.203 CV 1 ASSI { 8580} ( segid " " and resid 259 and name HD1%) (( segid " " and resid 264 and name HB3 )) 3.800 1.800 1.800 peak 8580 spectrum 1 weight 0.10000E+01 volume 0.10721E-02 ppm1 1.061 ppm2 2.969 CV 1 ASSI { 8581} ( segid " " and resid 259 and name HD1%) (( segid " " and resid 257 and name HB2 )) 3.600 1.600 1.600 peak 8581 spectrum 1 weight 0.10000E+01 volume 0.20161E-02 ppm1 1.061 ppm2 2.461 CV 1 ASSI { 8584} ( segid " " and resid 259 and name HD1%) ( segid " " and resid 259 and name HD2%) 2.100 0.500 0.500 peak 8584 spectrum 1 weight 0.10000E+01 volume 0.15974E-01 ppm1 1.063 ppm2 0.549 CV 1 ASSI { 8585} ( segid " " and resid 177 and name HD2%) ( segid " " and resid 209 and name HD% ) 3.400 3.400 2.600 peak 8585 spectrum 1 weight 0.10000E+01 volume 0.10124E-02 ppm1 0.915 ppm2 7.221 CV 1 ASSI { 8587} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 177 and name HA )) 3.500 1.600 1.600 peak 8587 spectrum 1 weight 0.10000E+01 volume 0.24626E-02 ppm1 0.914 ppm2 4.916 CV 1 ASSI { 8588} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 209 and name HB3 )) 3.000 1.200 1.200 peak 8588 spectrum 1 weight 0.10000E+01 volume 0.12854E-02 ppm1 0.916 ppm2 3.220 CV 1 ASSI { 8589} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 206 and name HD2 )) 3.200 1.300 1.300 peak 8589 spectrum 1 weight 0.10000E+01 volume 0.10729E-02 ppm1 0.914 ppm2 2.354 CV 1 ASSI { 8591} ( segid " " and resid 177 and name HD2%) ( segid " " and resid 167 and name HD% ) 3.600 3.600 2.400 peak 8591 spectrum 1 weight 0.10000E+01 volume 0.89358E-03 ppm1 0.909 ppm2 6.896 CV 1 ASSI { 8592} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 210 and name HA )) 3.900 1.900 1.900 peak 8592 spectrum 1 weight 0.10000E+01 volume 0.46260E-03 ppm1 0.912 ppm2 5.422 CV 1 ASSI { 8594} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 167 and name HA )) 2.700 2.700 3.300 peak 8594 spectrum 1 weight 0.10000E+01 volume 0.10856E-02 ppm1 0.913 ppm2 4.756 CV 1 ASSI { 8604} ( segid " " and resid 248 and name HD2%) (( segid " " and resid 251 and name HG2 )) 3.400 1.500 1.500 peak 8604 spectrum 1 weight 0.10000E+01 volume 0.26044E-02 ppm1 0.863 ppm2 2.069 CV 1 ASSI { 8605} ( segid " " and resid 248 and name HD2%) (( segid " " and resid 247 and name HB3 )) 2.300 2.300 3.700 peak 8605 spectrum 1 weight 0.10000E+01 volume 0.18441E-01 ppm1 0.865 ppm2 1.624 CV 1 ASSI { 8607} ( segid " " and resid 213 and name HD1%) (( segid " " and resid 162 and name HA )) 2.800 0.900 0.900 peak 8607 spectrum 1 weight 0.10000E+01 volume 0.38473E-02 ppm1 0.852 ppm2 5.640 CV 1 ASSI { 8608} ( segid " " and resid 213 and name HD1%) (( segid " " and resid 161 and name HA )) 2.200 2.200 3.800 peak 8608 spectrum 1 weight 0.10000E+01 volume 0.35983E-02 ppm1 0.852 ppm2 4.981 CV 1 ASSI { 8612} ( segid " " and resid 213 and name HD1%) (( segid " " and resid 212 and name HA )) 2.600 2.600 3.400 peak 8612 spectrum 1 weight 0.10000E+01 volume 0.13641E-02 ppm1 0.854 ppm2 3.631 CV 1 ASSI { 8614} ( segid " " and resid 248 and name HD2%) (( segid " " and resid 251 and name HG3 )) 3.100 1.200 1.200 peak 8614 spectrum 1 weight 0.10000E+01 volume 0.20876E-02 ppm1 0.861 ppm2 2.424 CV 1 ASSI { 8616} ( segid " " and resid 213 and name HD1%) (( segid " " and resid 182 and name HB )) 2.800 1.000 1.000 peak 8616 spectrum 1 weight 0.10000E+01 volume 0.27919E-02 ppm1 0.852 ppm2 1.974 CV 1 ASSI { 8617} ( segid " " and resid 213 and name HD1%) (( segid " " and resid 162 and name HB3 )) 2.700 2.700 3.300 peak 8617 spectrum 1 weight 0.10000E+01 volume 0.56205E-02 ppm1 0.855 ppm2 1.799 CV 1 ASSI { 8618} ( segid " " and resid 213 and name HD1%) (( segid " " and resid 213 and name HB3 )) 2.000 0.500 0.500 peak 8618 spectrum 1 weight 0.10000E+01 volume 0.39898E-01 ppm1 0.857 ppm2 1.516 CV 1 ASSI { 8620} ( segid " " and resid 213 and name HD1%) ( segid " " and resid 160 and name HG2%) 2.100 2.100 3.900 peak 8620 spectrum 1 weight 0.10000E+01 volume 0.55902E-02 ppm1 0.853 ppm2 1.221 CV 1 ASSI { 8623} ( segid " " and resid 213 and name HD1%) (( segid " " and resid 160 and name HB )) 2.500 0.800 0.800 peak 8623 spectrum 1 weight 0.10000E+01 volume 0.66457E-02 ppm1 0.851 ppm2 4.002 CV 1 ASSI { 8624} ( segid " " and resid 213 and name HD1%) (( segid " " and resid 162 and name HD3 )) 2.200 2.200 3.800 peak 8624 spectrum 1 weight 0.10000E+01 volume 0.36131E-02 ppm1 0.851 ppm2 3.197 CV 1 ASSI { 8635} ( segid " " and resid 247 and name HD2%) (( segid " " and resid 233 and name HA )) 3.400 1.500 1.500 peak 8635 spectrum 1 weight 0.10000E+01 volume 0.10445E-02 ppm1 -0.306 ppm2 5.157 CV 1 ASSI { 8640} ( segid " " and resid 247 and name HD2%) (( segid " " and resid 245 and name HB )) 3.700 1.700 1.700 peak 8640 spectrum 1 weight 0.10000E+01 volume 0.80205E-03 ppm1 -0.306 ppm2 1.972 CV 1 ASSI { 8642} ( segid " " and resid 247 and name HD2%) (( segid " " and resid 247 and name HB2 )) 2.800 1.000 1.000 peak 8642 spectrum 1 weight 0.10000E+01 volume 0.36335E-02 ppm1 -0.306 ppm2 1.319 CV 1 ASSI { 8643} ( segid " " and resid 247 and name HD2%) (( segid " " and resid 247 and name HG )) 2.500 0.800 0.800 peak 8643 spectrum 1 weight 0.10000E+01 volume 0.36503E-02 ppm1 -0.305 ppm2 1.174 CV 1 ASSI { 8644} ( segid " " and resid 247 and name HD2%) ( segid " " and resid 247 and name HD1%) 2.200 0.600 0.600 peak 8644 spectrum 1 weight 0.10000E+01 volume 0.10313E-01 ppm1 -0.305 ppm2 0.635 CV 1 ASSI { 8646} ( segid " " and resid 247 and name HD2%) ( segid " " and resid 275 and name HE% ) 3.400 1.400 1.400 peak 8646 spectrum 1 weight 0.10000E+01 volume 0.91348E-03 ppm1 -0.306 ppm2 7.541 CV 1 ASSI { 8650} ( segid " " and resid 247 and name HD2%) (( segid " " and resid 251 and name HG3 )) 4.400 2.400 1.600 peak 8650 spectrum 1 weight 0.10000E+01 volume 0.50371E-03 ppm1 -0.308 ppm2 2.422 CV 1 ASSI { 8651} ( segid " " and resid 247 and name HD2%) (( segid " " and resid 247 and name HB3 )) 2.600 0.800 0.800 peak 8651 spectrum 1 weight 0.10000E+01 volume 0.32156E-02 ppm1 -0.306 ppm2 1.638 CV 1 ASSI { 8653} ( segid " " and resid 247 and name HD2%) ( segid " " and resid 248 and name HD2%) 3.300 3.300 2.700 peak 8653 spectrum 1 weight 0.10000E+01 volume 0.25165E-02 ppm1 -0.307 ppm2 0.843 CV 1 OR { 8653} ( segid " " and resid 247 and name HD2%) ( segid " " and resid 248 and name HD1%) ASSI { 8750} (( segid " " and resid 235 and name HG3 )) (( segid " " and resid 235 and name HA )) 3.000 1.100 1.100 peak 8750 spectrum 1 weight 0.10000E+01 volume 0.39533E-02 ppm1 1.133 ppm2 4.160 CV 1 ASSI { 8751} (( segid " " and resid 235 and name HG3 )) (( segid " " and resid 235 and name HB2 )) 2.200 0.600 0.600 peak 8751 spectrum 1 weight 0.10000E+01 volume 0.64983E-02 ppm1 1.133 ppm2 0.925 CV 1 ASSI { 8754} (( segid " " and resid 235 and name HG2 )) ( segid " " and resid 279 and name HD% ) 4.300 2.300 1.700 peak 8754 spectrum 1 weight 0.10000E+01 volume 0.51424E-03 ppm1 1.043 ppm2 6.542 CV 1 ASSI { 8755} (( segid " " and resid 235 and name HG2 )) (( segid " " and resid 279 and name HA )) 4.000 2.000 2.000 peak 8755 spectrum 1 weight 0.10000E+01 volume 0.75221E-03 ppm1 1.045 ppm2 4.965 CV 1 ASSI { 8757} (( segid " " and resid 235 and name HG2 )) (( segid " " and resid 235 and name HE2 )) 2.500 0.800 0.800 peak 8757 spectrum 1 weight 0.10000E+01 volume 0.56526E-02 ppm1 1.046 ppm2 2.833 CV 1 ASSI { 8841} (( segid " " and resid 169 and name HG3 )) (( segid " " and resid 169 and name HA )) 2.900 1.000 1.000 peak 8841 spectrum 1 weight 0.10000E+01 volume 0.26813E-02 ppm1 1.286 ppm2 4.058 CV 1 OR { 8841} (( segid " " and resid 169 and name HG2 )) (( segid " " and resid 169 and name HA )) ASSI { 8844} (( segid " " and resid 169 and name HG3 )) ( segid " " and resid 175 and name HE% ) 2.500 2.500 3.500 peak 8844 spectrum 1 weight 0.10000E+01 volume 0.96725E-02 ppm1 1.288 ppm2 1.668 CV 1 OR { 8844} (( segid " " and resid 169 and name HG2 )) ( segid " " and resid 175 and name HE% ) ASSI { 8850} (( segid " " and resid 169 and name HG3 )) (( segid " " and resid 169 and name HD3 )) 3.000 1.100 1.100 peak 8850 spectrum 1 weight 0.10000E+01 volume 0.15083E-02 ppm1 1.284 ppm2 2.126 CV 1 OR { 8850} (( segid " " and resid 169 and name HG2 )) (( segid " " and resid 169 and name HD2 )) OR { 8850} (( segid " " and resid 169 and name HG2 )) (( segid " " and resid 169 and name HD3 )) OR { 8850} (( segid " " and resid 169 and name HG3 )) (( segid " " and resid 169 and name HD2 )) ASSI { 8856} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 163 and name HA )) 3.900 1.900 1.900 peak 8856 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 0.987 ppm2 5.231 CV 1 ASSI { 8857} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 177 and name HA )) 2.300 0.700 0.700 peak 8857 spectrum 1 weight 0.10000E+01 volume 0.72078E-02 ppm1 0.984 ppm2 4.908 CV 1 ASSI { 8859} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 181 and name HA )) 3.900 1.900 1.900 peak 8859 spectrum 1 weight 0.10000E+01 volume 0.89946E-03 ppm1 0.984 ppm2 4.486 CV 1 ASSI { 8860} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 209 and name HB3 )) 4.100 2.100 1.900 peak 8860 spectrum 1 weight 0.10000E+01 volume 0.69415E-03 ppm1 0.982 ppm2 3.230 CV 1 ASSI { 8872} ( segid " " and resid 213 and name HD2%) (( segid " " and resid 161 and name HA )) 2.500 2.500 3.500 peak 8872 spectrum 1 weight 0.10000E+01 volume 0.19383E-02 ppm1 0.833 ppm2 4.999 CV 1 ASSI { 8875} ( segid " " and resid 213 and name HD2%) (( segid " " and resid 160 and name HB )) 2.700 2.700 3.300 peak 8875 spectrum 1 weight 0.10000E+01 volume 0.37662E-02 ppm1 0.832 ppm2 4.007 CV 1 ASSI { 8877} ( segid " " and resid 213 and name HD2%) (( segid " " and resid 162 and name HD3 )) 2.200 2.200 3.800 peak 8877 spectrum 1 weight 0.10000E+01 volume 0.33716E-02 ppm1 0.834 ppm2 3.201 CV 1 ASSI { 8879} ( segid " " and resid 213 and name HD2%) (( segid " " and resid 182 and name HB )) 3.100 1.200 1.200 peak 8879 spectrum 1 weight 0.10000E+01 volume 0.15420E-02 ppm1 0.831 ppm2 1.952 CV 1 ASSI { 8880} ( segid " " and resid 213 and name HD2%) (( segid " " and resid 162 and name HB3 )) 3.000 1.100 1.100 peak 8880 spectrum 1 weight 0.10000E+01 volume 0.29892E-02 ppm1 0.831 ppm2 1.816 CV 1 ASSI { 8882} ( segid " " and resid 213 and name HD2%) (( segid " " and resid 213 and name HB2 )) 2.600 0.800 0.800 peak 8882 spectrum 1 weight 0.10000E+01 volume 0.71260E-02 ppm1 0.834 ppm2 1.382 CV 1 ASSI { 8883} ( segid " " and resid 213 and name HD2%) ( segid " " and resid 160 and name HG2%) 2.300 2.300 3.700 peak 8883 spectrum 1 weight 0.10000E+01 volume 0.30843E-02 ppm1 0.835 ppm2 1.226 CV 1 ASSI { 8894} ( segid " " and resid 247 and name HD1%) ( segid " " and resid 275 and name HE% ) 3.700 1.700 1.700 peak 8894 spectrum 1 weight 0.10000E+01 volume 0.54450E-03 ppm1 0.637 ppm2 7.545 CV 1 ASSI { 8895} ( segid " " and resid 247 and name HD1%) (( segid " " and resid 246 and name HA )) 3.900 1.900 1.900 peak 8895 spectrum 1 weight 0.10000E+01 volume 0.57896E-03 ppm1 0.637 ppm2 5.512 CV 1 ASSI { 8896} ( segid " " and resid 247 and name HD1%) (( segid " " and resid 247 and name HA )) 2.400 0.700 0.700 peak 8896 spectrum 1 weight 0.10000E+01 volume 0.75249E-02 ppm1 0.635 ppm2 4.873 CV 1 ASSI { 8902} ( segid " " and resid 247 and name HD1%) (( segid " " and resid 251 and name HB2 )) 3.100 1.200 1.200 peak 8902 spectrum 1 weight 0.10000E+01 volume 0.25721E-02 ppm1 0.635 ppm2 1.838 CV 1 ASSI { 8906} ( segid " " and resid 247 and name HD1%) (( segid " " and resid 247 and name HG )) 2.400 0.700 0.700 peak 8906 spectrum 1 weight 0.10000E+01 volume 0.53473E-02 ppm1 0.636 ppm2 1.179 CV 1 ASSI { 8916} (( segid " " and resid 258 and name HG3 )) (( segid " " and resid 258 and name HD2 )) 2.900 1.100 1.100 peak 8916 spectrum 1 weight 0.10000E+01 volume 0.13425E-02 ppm1 0.329 ppm2 1.188 CV 1 OR { 8916} (( segid " " and resid 258 and name HG3 )) (( segid " " and resid 258 and name HB3 )) OR { 8916} (( segid " " and resid 258 and name HG3 )) (( segid " " and resid 258 and name HD3 )) ASSI { 8917} (( segid " " and resid 258 and name HG3 )) (( segid " " and resid 258 and name HB2 )) 3.900 1.900 1.900 peak 8917 spectrum 1 weight 0.10000E+01 volume 0.54925E-03 ppm1 0.330 ppm2 0.882 CV 1 ASSI { 8925} (( segid " " and resid 258 and name HG2 )) (( segid " " and resid 258 and name HG3 )) 2.600 0.800 0.800 peak 8925 spectrum 1 weight 0.10000E+01 volume 0.10776E-02 ppm1 -1.468 ppm2 0.350 CV 1 ASSI { 8952} ( segid " " and resid 260 and name HD2%) (( segid " " and resid 194 and name HZ2 )) 3.200 1.300 1.300 peak 8952 spectrum 1 weight 0.10000E+01 volume 0.21855E-02 ppm1 1.119 ppm2 7.262 CV 1 ASSI { 8953} ( segid " " and resid 260 and name HD2%) (( segid " " and resid 194 and name HH2 )) 2.900 2.900 3.100 peak 8953 spectrum 1 weight 0.10000E+01 volume 0.75393E-03 ppm1 1.118 ppm2 6.978 CV 1 ASSI { 8956} ( segid " " and resid 260 and name HD2%) (( segid " " and resid 260 and name HA )) 2.100 0.500 0.500 peak 8956 spectrum 1 weight 0.10000E+01 volume 0.15304E-01 ppm1 1.119 ppm2 4.235 CV 1 ASSI { 8957} ( segid " " and resid 260 and name HD2%) (( segid " " and resid 259 and name HA )) 2.600 2.600 3.400 peak 8957 spectrum 1 weight 0.10000E+01 volume 0.12438E-02 ppm1 1.117 ppm2 3.981 CV 1 ASSI { 8958} ( segid " " and resid 260 and name HD2%) (( segid " " and resid 191 and name HA )) 2.300 2.300 3.700 peak 8958 spectrum 1 weight 0.10000E+01 volume 0.27702E-02 ppm1 1.119 ppm2 3.834 CV 1 ASSI { 8960} ( segid " " and resid 260 and name HD2%) (( segid " " and resid 190 and name HG3 )) 3.000 1.100 1.100 peak 8960 spectrum 1 weight 0.10000E+01 volume 0.14636E-02 ppm1 1.119 ppm2 2.525 CV 1 ASSI { 8961} ( segid " " and resid 260 and name HD2%) (( segid " " and resid 190 and name HB2 )) 2.900 1.100 1.100 peak 8961 spectrum 1 weight 0.10000E+01 volume 0.21153E-02 ppm1 1.119 ppm2 2.261 CV 1 ASSI { 8962} ( segid " " and resid 260 and name HD2%) (( segid " " and resid 260 and name HG )) 2.100 0.500 0.500 peak 8962 spectrum 1 weight 0.10000E+01 volume 0.17262E-01 ppm1 1.119 ppm2 1.952 CV 1 OR { 8962} ( segid " " and resid 260 and name HD2%) (( segid " " and resid 260 and name HB3 )) ASSI { 8963} ( segid " " and resid 260 and name HD2%) (( segid " " and resid 260 and name HB2 )) 2.300 0.600 0.600 peak 8963 spectrum 1 weight 0.10000E+01 volume 0.74425E-02 ppm1 1.118 ppm2 1.709 CV 1 ASSI { 8966} ( segid " " and resid 260 and name HD2%) ( segid " " and resid 207 and name HB% ) 3.000 3.000 3.000 peak 8966 spectrum 1 weight 0.10000E+01 volume 0.62911E-03 ppm1 1.119 ppm2 -0.357 CV 1 ASSI { 8984} ( segid " " and resid 253 and name HG1%) (( segid " " and resid 266 and name HA )) 4.700 2.700 1.300 peak 8984 spectrum 1 weight 0.10000E+01 volume 0.51904E-03 ppm1 0.722 ppm2 5.251 CV 1 ASSI { 8986} ( segid " " and resid 253 and name HG1%) (( segid " " and resid 253 and name HA )) 2.200 0.600 0.600 peak 8986 spectrum 1 weight 0.10000E+01 volume 0.80078E-02 ppm1 0.723 ppm2 4.863 CV 1 ASSI { 8987} ( segid " " and resid 253 and name HG1%) (( segid " " and resid 268 and name HA )) 2.900 1.000 1.000 peak 8987 spectrum 1 weight 0.10000E+01 volume 0.23139E-02 ppm1 0.723 ppm2 4.616 CV 1 ASSI { 8988} ( segid " " and resid 253 and name HG1%) (( segid " " and resid 269 and name HB3 )) 3.800 3.800 2.200 peak 8988 spectrum 1 weight 0.10000E+01 volume 0.17486E-02 ppm1 0.721 ppm2 2.929 CV 1 ASSI { 8989} ( segid " " and resid 253 and name HG1%) (( segid " " and resid 231 and name HB3 )) 4.100 2.100 1.900 peak 8989 spectrum 1 weight 0.10000E+01 volume 0.65770E-03 ppm1 0.722 ppm2 2.756 CV 1 OR { 8989} ( segid " " and resid 253 and name HG1%) (( segid " " and resid 231 and name HB2 )) ASSI { 8990} ( segid " " and resid 253 and name HG1%) (( segid " " and resid 275 and name HB2 )) 5.200 3.400 0.800 peak 8990 spectrum 1 weight 0.10000E+01 volume 0.46025E-03 ppm1 0.720 ppm2 2.595 CV 1 ASSI { 8992} ( segid " " and resid 253 and name HG1%) (( segid " " and resid 253 and name HB )) 2.200 0.600 0.600 peak 8992 spectrum 1 weight 0.10000E+01 volume 0.66606E-02 ppm1 0.724 ppm2 2.069 CV 1 ASSI { 8997} ( segid " " and resid 253 and name HG1%) ( segid " " and resid 266 and name HG2%) 4.000 2.000 2.000 peak 8997 spectrum 1 weight 0.10000E+01 volume 0.21323E-02 ppm1 0.722 ppm2 0.919 CV 1 ASSI { 8999} ( segid " " and resid 253 and name HG1%) ( segid " " and resid 253 and name HG2%) 2.100 0.600 0.600 peak 8999 spectrum 1 weight 0.10000E+01 volume 0.12835E-01 ppm1 0.723 ppm2 0.521 CV 1 ASSI { 9000} ( segid " " and resid 253 and name HG1%) ( segid " " and resid 247 and name HD2%) 2.300 0.700 0.700 peak 9000 spectrum 1 weight 0.10000E+01 volume 0.66276E-02 ppm1 0.724 ppm2 -0.307 CV 1 ASSI { 9002} ( segid " " and resid 255 and name HG1%) ( segid " " and resid 231 and name HE% ) 3.000 1.200 1.200 peak 9002 spectrum 1 weight 0.10000E+01 volume 0.25174E-02 ppm1 0.604 ppm2 6.857 CV 1 ASSI { 9003} ( segid " " and resid 255 and name HG1%) (( segid " " and resid 264 and name HZ3 )) 3.400 1.400 1.400 peak 9003 spectrum 1 weight 0.10000E+01 volume 0.13268E-02 ppm1 0.604 ppm2 6.128 CV 1 ASSI { 9005} ( segid " " and resid 255 and name HG1%) (( segid " " and resid 255 and name HA )) 2.700 0.900 0.900 peak 9005 spectrum 1 weight 0.10000E+01 volume 0.32156E-02 ppm1 0.605 ppm2 4.062 CV 1 ASSI { 9006} ( segid " " and resid 255 and name HG1%) (( segid " " and resid 231 and name HB3 )) 3.200 1.200 1.200 peak 9006 spectrum 1 weight 0.10000E+01 volume 0.27714E-02 ppm1 0.604 ppm2 2.757 CV 1 OR { 9006} ( segid " " and resid 255 and name HG1%) (( segid " " and resid 231 and name HB2 )) ASSI { 9008} ( segid " " and resid 255 and name HG1%) (( segid " " and resid 255 and name HB )) 2.500 0.800 0.800 peak 9008 spectrum 1 weight 0.10000E+01 volume 0.42619E-02 ppm1 0.604 ppm2 1.825 CV 1 ASSI { 9010} ( segid " " and resid 255 and name HG1%) ( segid " " and resid 266 and name HG2%) 2.800 1.000 1.000 peak 9010 spectrum 1 weight 0.10000E+01 volume 0.38492E-02 ppm1 0.606 ppm2 0.913 CV 1 ASSI { 9013} ( segid " " and resid 255 and name HG1%) ( segid " " and resid 231 and name HD% ) 3.400 1.500 1.500 peak 9013 spectrum 1 weight 0.10000E+01 volume 0.16994E-02 ppm1 0.601 ppm2 7.032 CV 1 ASSI { 9018} ( segid " " and resid 255 and name HG1%) (( segid " " and resid 254 and name HG3 )) 3.700 1.800 1.800 peak 9018 spectrum 1 weight 0.10000E+01 volume 0.85433E-03 ppm1 0.602 ppm2 2.284 CV 1 ASSI { 9020} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 257 and name HE1 )) 3.300 1.300 1.300 peak 9020 spectrum 1 weight 0.10000E+01 volume 0.12565E-02 ppm1 0.546 ppm2 7.792 CV 1 ASSI { 9022} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 264 and name HD1 )) 4.300 2.300 1.700 peak 9022 spectrum 1 weight 0.10000E+01 volume 0.10709E-02 ppm1 0.545 ppm2 7.177 CV 1 ASSI { 9024} ( segid " " and resid 259 and name HD2%) ( segid " " and resid 274 and name HE% ) 3.200 3.200 2.800 peak 9024 spectrum 1 weight 0.10000E+01 volume 0.16340E-02 ppm1 0.546 ppm2 6.788 CV 1 ASSI { 9025} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 257 and name HD2 )) 3.700 1.700 1.700 peak 9025 spectrum 1 weight 0.10000E+01 volume 0.86071E-03 ppm1 0.548 ppm2 6.399 CV 1 ASSI { 9026} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 257 and name HA )) 3.800 1.800 1.800 peak 9026 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 0.546 ppm2 4.985 CV 1 ASSI { 9028} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 265 and name HA )) 4.200 2.200 1.800 peak 9028 spectrum 1 weight 0.10000E+01 volume 0.50556E-03 ppm1 0.548 ppm2 4.299 CV 1 ASSI { 9029} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 259 and name HA )) 2.900 1.000 1.000 peak 9029 spectrum 1 weight 0.10000E+01 volume 0.78514E-02 ppm1 0.547 ppm2 3.986 CV 1 ASSI { 9031} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 257 and name HB3 )) 3.200 1.200 1.200 peak 9031 spectrum 1 weight 0.10000E+01 volume 0.15213E-02 ppm1 0.546 ppm2 3.204 CV 1 ASSI { 9033} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 257 and name HB2 )) 3.300 3.300 2.700 peak 9033 spectrum 1 weight 0.10000E+01 volume 0.27848E-02 ppm1 0.547 ppm2 2.458 CV 1 ASSI { 9034} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 259 and name HB3 )) 2.500 0.800 0.800 peak 9034 spectrum 1 weight 0.10000E+01 volume 0.42646E-02 ppm1 0.547 ppm2 2.064 CV 1 ASSI { 9035} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 259 and name HB2 )) 2.600 0.900 0.900 peak 9035 spectrum 1 weight 0.10000E+01 volume 0.49959E-02 ppm1 0.547 ppm2 1.697 CV 1 ASSI { 9036} ( segid " " and resid 259 and name HD2%) (( segid " " and resid 259 and name HG )) 2.200 0.600 0.600 peak 9036 spectrum 1 weight 0.10000E+01 volume 0.95599E-02 ppm1 0.547 ppm2 1.170 CV 1 ASSI { 9084} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 159 and name HA )) 3.800 1.800 1.800 peak 9084 spectrum 1 weight 0.10000E+01 volume 0.13584E-02 ppm1 1.216 ppm2 4.400 CV 1 ASSI { 9086} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 161 and name HB2 )) 4.700 2.800 1.300 peak 9086 spectrum 1 weight 0.10000E+01 volume 0.46680E-03 ppm1 1.218 ppm2 2.648 CV 1 ASSI { 9087} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 213 and name HB3 )) 3.200 1.300 1.300 peak 9087 spectrum 1 weight 0.10000E+01 volume 0.26936E-02 ppm1 1.216 ppm2 1.512 CV 1 ASSI { 9100} ( segid " " and resid 185 and name HG2%) ( segid " " and resid 210 and name HD1%) 2.900 1.100 1.100 peak 9100 spectrum 1 weight 0.10000E+01 volume 0.24300E-02 ppm1 0.872 ppm2 0.601 CV 1 ASSI { 9101} ( segid " " and resid 185 and name HG2%) ( segid " " and resid 161 and name HD% ) 2.400 2.400 3.600 peak 9101 spectrum 1 weight 0.10000E+01 volume 0.64336E-02 ppm1 0.869 ppm2 6.835 CV 1 OR { 9101} ( segid " " and resid 185 and name HG2%) ( segid " " and resid 161 and name HE% ) ASSI { 9102} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 194 and name HE3 )) 2.500 0.800 0.800 peak 9102 spectrum 1 weight 0.10000E+01 volume 0.47314E-02 ppm1 0.868 ppm2 6.731 CV 1 ASSI { 9103} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 194 and name HA )) 4.000 2.000 2.000 peak 9103 spectrum 1 weight 0.10000E+01 volume 0.67515E-03 ppm1 0.867 ppm2 5.923 CV 1 ASSI { 9104} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 160 and name HA )) 2.700 2.700 3.300 peak 9104 spectrum 1 weight 0.10000E+01 volume 0.13559E-02 ppm1 0.869 ppm2 5.626 CV 1 ASSI { 9107} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 185 and name HA )) 2.400 0.700 0.700 peak 9107 spectrum 1 weight 0.10000E+01 volume 0.61093E-02 ppm1 0.869 ppm2 4.229 CV 1 ASSI { 9108} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 212 and name HA )) 4.400 2.400 1.600 peak 9108 spectrum 1 weight 0.10000E+01 volume 0.55196E-03 ppm1 0.867 ppm2 3.615 CV 1 ASSI { 9110} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 196 and name HB3 )) 3.200 1.300 1.300 peak 9110 spectrum 1 weight 0.10000E+01 volume 0.15455E-02 ppm1 0.871 ppm2 2.617 CV 1 ASSI { 9112} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 159 and name HB3 )) 2.900 1.000 1.000 peak 9112 spectrum 1 weight 0.10000E+01 volume 0.26776E-02 ppm1 0.868 ppm2 2.166 CV 1 ASSI { 9113} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 185 and name HB )) 2.300 0.700 0.700 peak 9113 spectrum 1 weight 0.10000E+01 volume 0.74570E-02 ppm1 0.869 ppm2 1.867 CV 1 ASSI { 9116} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 188 and name HG2 )) 3.800 1.800 1.800 peak 9116 spectrum 1 weight 0.10000E+01 volume 0.64571E-03 ppm1 0.870 ppm2 -1.296 CV 1 ASSI { 9137} ( segid " " and resid 280 and name HD2%) ( segid " " and resid 275 and name HE% ) 4.000 2.000 2.000 peak 9137 spectrum 1 weight 0.10000E+01 volume 0.47635E-03 ppm1 0.517 ppm2 7.543 CV 1 ASSI { 9138} ( segid " " and resid 280 and name HD1%) ( segid " " and resid 231 and name HD% ) 3.400 1.500 1.500 peak 9138 spectrum 1 weight 0.10000E+01 volume 0.14527E-02 ppm1 0.516 ppm2 7.046 CV 1 OR { 9138} ( segid " " and resid 280 and name HD2%) ( segid " " and resid 231 and name HD% ) ASSI { 9139} ( segid " " and resid 280 and name HD1%) ( segid " " and resid 231 and name HE% ) 3.800 1.800 1.800 peak 9139 spectrum 1 weight 0.10000E+01 volume 0.11692E-02 ppm1 0.518 ppm2 6.882 CV 1 OR { 9139} ( segid " " and resid 280 and name HD2%) ( segid " " and resid 231 and name HE% ) ASSI { 9141} ( segid " " and resid 280 and name HD2%) (( segid " " and resid 280 and name HA )) 2.500 0.800 0.800 peak 9141 spectrum 1 weight 0.10000E+01 volume 0.53251E-02 ppm1 0.515 ppm2 5.512 CV 1 OR { 9141} ( segid " " and resid 280 and name HD1%) (( segid " " and resid 280 and name HA )) ASSI { 9142} ( segid " " and resid 280 and name HD2%) (( segid " " and resid 233 and name HA )) 2.400 0.700 0.700 peak 9142 spectrum 1 weight 0.10000E+01 volume 0.61464E-02 ppm1 0.515 ppm2 5.152 CV 1 ASSI { 9143} ( segid " " and resid 280 and name HD1%) (( segid " " and resid 281 and name HA )) 3.600 1.700 1.700 peak 9143 spectrum 1 weight 0.10000E+01 volume 0.89625E-03 ppm1 0.517 ppm2 4.860 CV 1 OR { 9143} ( segid " " and resid 280 and name HD2%) (( segid " " and resid 281 and name HA )) ASSI { 9144} ( segid " " and resid 280 and name HD2%) (( segid " " and resid 279 and name HB2 )) 3.500 1.500 1.500 peak 9144 spectrum 1 weight 0.10000E+01 volume 0.99991E-03 ppm1 0.519 ppm2 2.995 CV 1 OR { 9144} ( segid " " and resid 280 and name HD1%) (( segid " " and resid 279 and name HB2 )) ASSI { 9145} ( segid " " and resid 280 and name HD2%) (( segid " " and resid 231 and name HB2 )) 3.000 1.100 1.100 peak 9145 spectrum 1 weight 0.10000E+01 volume 0.22866E-02 ppm1 0.516 ppm2 2.748 CV 1 OR { 9145} ( segid " " and resid 280 and name HD1%) (( segid " " and resid 231 and name HB2 )) OR { 9145} ( segid " " and resid 280 and name HD1%) (( segid " " and resid 231 and name HB3 )) OR { 9145} ( segid " " and resid 280 and name HD2%) (( segid " " and resid 231 and name HB3 )) ASSI { 9146} ( segid " " and resid 280 and name HD1%) (( segid " " and resid 280 and name HB3 )) 2.400 0.700 0.700 peak 9146 spectrum 1 weight 0.10000E+01 volume 0.54391E-02 ppm1 0.516 ppm2 1.789 CV 1 OR { 9146} ( segid " " and resid 280 and name HD2%) (( segid " " and resid 280 and name HB3 )) ASSI { 9147} ( segid " " and resid 280 and name HD2%) (( segid " " and resid 280 and name HB2 )) 2.500 0.800 0.800 peak 9147 spectrum 1 weight 0.10000E+01 volume 0.55060E-02 ppm1 0.515 ppm2 1.435 CV 1 OR { 9147} ( segid " " and resid 280 and name HD1%) (( segid " " and resid 280 and name HB2 )) ASSI { 9148} ( segid " " and resid 280 and name HD1%) ( segid " " and resid 266 and name HG2%) 2.800 1.000 1.000 peak 9148 spectrum 1 weight 0.10000E+01 volume 0.27349E-02 ppm1 0.518 ppm2 0.894 CV 1 OR { 9148} ( segid " " and resid 280 and name HD2%) ( segid " " and resid 266 and name HG2%) ASSI { 9149} ( segid " " and resid 280 and name HD2%) ( segid " " and resid 247 and name HD2%) 2.800 1.000 1.000 peak 9149 spectrum 1 weight 0.10000E+01 volume 0.24881E-02 ppm1 0.515 ppm2 -0.305 CV 1 ASSI { 9194} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HA )) 2.100 0.600 0.600 peak 9194 spectrum 1 weight 0.10000E+01 volume 0.11350E-01 ppm1 1.218 ppm2 5.631 CV 1 ASSI { 9195} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 184 and name HA )) 2.600 0.800 0.800 peak 9195 spectrum 1 weight 0.10000E+01 volume 0.61496E-02 ppm1 1.217 ppm2 5.102 CV 1 ASSI { 9196} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HB )) 2.100 0.500 0.500 peak 9196 spectrum 1 weight 0.10000E+01 volume 0.15076E-01 ppm1 1.217 ppm2 4.003 CV 1 ASSI { 9197} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 184 and name HG3 )) 2.400 0.700 0.700 peak 9197 spectrum 1 weight 0.10000E+01 volume 0.49778E-02 ppm1 1.217 ppm2 2.340 CV 1 ASSI { 9198} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 184 and name HG2 )) 2.600 0.900 0.900 peak 9198 spectrum 1 weight 0.10000E+01 volume 0.72648E-02 ppm1 1.217 ppm2 2.049 CV 1 ASSI { 9199} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 184 and name HB2 )) 3.500 1.500 1.500 peak 9199 spectrum 1 weight 0.10000E+01 volume 0.26634E-02 ppm1 1.217 ppm2 1.847 CV 1 ASSI { 9202} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 182 and name HG2%) 2.300 0.600 0.600 peak 9202 spectrum 1 weight 0.10000E+01 volume 0.11008E-01 ppm1 1.217 ppm2 0.920 CV 1 ASSI { 9214} ( segid " " and resid 248 and name HD1%) (( segid " " and resid 248 and name HA )) 1.900 0.400 0.400 peak 9214 spectrum 1 weight 0.10000E+01 volume 0.26691E-01 ppm1 0.867 ppm2 4.488 CV 1 ASSI { 9216} ( segid " " and resid 248 and name HD1%) (( segid " " and resid 248 and name HG )) 1.800 0.400 0.400 peak 9216 spectrum 1 weight 0.10000E+01 volume 0.28007E-01 ppm1 0.867 ppm2 1.641 CV 1 ASSI { 9225} ( segid " " and resid 255 and name HG2%) ( segid " " and resid 231 and name HD% ) 3.300 3.300 2.700 peak 9225 spectrum 1 weight 0.10000E+01 volume 0.90525E-03 ppm1 0.360 ppm2 7.038 CV 1 ASSI { 9226} ( segid " " and resid 255 and name HG2%) (( segid " " and resid 264 and name HE3 )) 2.900 1.100 1.100 peak 9226 spectrum 1 weight 0.10000E+01 volume 0.20127E-02 ppm1 0.363 ppm2 6.804 CV 1 ASSI { 9227} ( segid " " and resid 255 and name HG2%) (( segid " " and resid 264 and name HZ3 )) 3.500 1.500 1.500 peak 9227 spectrum 1 weight 0.10000E+01 volume 0.10508E-02 ppm1 0.364 ppm2 6.133 CV 1 ASSI { 9228} ( segid " " and resid 255 and name HG2%) (( segid " " and resid 266 and name HA )) 3.800 1.800 1.800 peak 9228 spectrum 1 weight 0.10000E+01 volume 0.11491E-02 ppm1 0.364 ppm2 5.258 CV 1 ASSI { 9230} ( segid " " and resid 255 and name HG2%) (( segid " " and resid 255 and name HA )) 2.700 0.900 0.900 peak 9230 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 0.365 ppm2 4.061 CV 1 ASSI { 9231} ( segid " " and resid 255 and name HG2%) (( segid " " and resid 258 and name HE2 )) 2.900 1.100 1.100 peak 9231 spectrum 1 weight 0.10000E+01 volume 0.38303E-02 ppm1 0.363 ppm2 2.463 CV 1 OR { 9231} ( segid " " and resid 255 and name HG2%) (( segid " " and resid 258 and name HE3 )) ASSI { 9232} ( segid " " and resid 255 and name HG2%) (( segid " " and resid 254 and name HG3 )) 3.700 3.700 2.300 peak 9232 spectrum 1 weight 0.10000E+01 volume 0.94044E-03 ppm1 0.364 ppm2 2.290 CV 1 ASSI { 9233} ( segid " " and resid 255 and name HG2%) (( segid " " and resid 258 and name HA )) 3.200 1.300 1.300 peak 9233 spectrum 1 weight 0.10000E+01 volume 0.17639E-02 ppm1 0.363 ppm2 2.118 CV 1 ASSI { 9234} ( segid " " and resid 255 and name HG2%) (( segid " " and resid 255 and name HB )) 2.500 0.800 0.800 peak 9234 spectrum 1 weight 0.10000E+01 volume 0.42464E-02 ppm1 0.364 ppm2 1.824 CV 1 ASSI { 9236} ( segid " " and resid 255 and name HG2%) ( segid " " and resid 255 and name HG1%) 2.400 0.700 0.700 peak 9236 spectrum 1 weight 0.10000E+01 volume 0.76718E-02 ppm1 0.363 ppm2 0.604 CV 1 ASSI { 9237} ( segid " " and resid 255 and name HG2%) (( segid " " and resid 258 and name HG2 )) 3.000 1.100 1.100 peak 9237 spectrum 1 weight 0.10000E+01 volume 0.20241E-02 ppm1 0.365 ppm2 -1.474 CV 1 ASSI { 9269} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 178 and name HA )) 4.100 2.100 1.900 peak 9269 spectrum 1 weight 0.10000E+01 volume 0.95215E-03 ppm1 0.989 ppm2 5.287 CV 1 ASSI { 9270} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 179 and name HB )) 2.000 0.500 0.500 peak 9270 spectrum 1 weight 0.10000E+01 volume 0.23630E-01 ppm1 0.989 ppm2 3.779 CV 1 ASSI { 9271} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 180 and name HA1 )) 3.500 1.500 1.500 peak 9271 spectrum 1 weight 0.10000E+01 volume 0.13558E-02 ppm1 0.989 ppm2 3.476 CV 1 ASSI { 9272} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 179 and name HA )) 2.100 0.600 0.600 peak 9272 spectrum 1 weight 0.10000E+01 volume 0.14016E-01 ppm1 0.989 ppm2 3.112 CV 1 ASSI { 9281} ( segid " " and resid 210 and name HD2%) ( segid " " and resid 161 and name HD% ) 3.500 1.500 1.500 peak 9281 spectrum 1 weight 0.10000E+01 volume 0.14722E-02 ppm1 0.660 ppm2 6.827 CV 1 ASSI { 9282} ( segid " " and resid 210 and name HD2%) (( segid " " and resid 162 and name HA )) 3.500 1.500 1.500 peak 9282 spectrum 1 weight 0.10000E+01 volume 0.73987E-03 ppm1 0.659 ppm2 5.640 CV 1 ASSI { 9283} ( segid " " and resid 210 and name HD2%) (( segid " " and resid 210 and name HA )) 2.300 0.700 0.700 peak 9283 spectrum 1 weight 0.10000E+01 volume 0.48598E-02 ppm1 0.661 ppm2 5.420 CV 1 ASSI { 9284} ( segid " " and resid 210 and name HD2%) (( segid " " and resid 163 and name HA )) 2.500 0.800 0.800 peak 9284 spectrum 1 weight 0.10000E+01 volume 0.56720E-02 ppm1 0.661 ppm2 5.226 CV 1 ASSI { 9285} ( segid " " and resid 210 and name HD2%) (( segid " " and resid 161 and name HA )) 3.500 1.600 1.600 peak 9285 spectrum 1 weight 0.10000E+01 volume 0.12427E-02 ppm1 0.660 ppm2 4.994 CV 1 ASSI { 9288} ( segid " " and resid 210 and name HD2%) (( segid " " and resid 161 and name HB3 )) 2.700 0.900 0.900 peak 9288 spectrum 1 weight 0.10000E+01 volume 0.19496E-02 ppm1 0.662 ppm2 2.903 CV 1 ASSI { 9289} ( segid " " and resid 210 and name HD2%) (( segid " " and resid 161 and name HB2 )) 3.300 1.300 1.300 peak 9289 spectrum 1 weight 0.10000E+01 volume 0.19592E-02 ppm1 0.661 ppm2 2.646 CV 1 ASSI { 9290} ( segid " " and resid 210 and name HD2%) (( segid " " and resid 207 and name HA )) 2.600 2.600 3.400 peak 9290 spectrum 1 weight 0.10000E+01 volume 0.14817E-02 ppm1 0.660 ppm2 2.553 CV 1 ASSI { 9294} ( segid " " and resid 210 and name HD2%) (( segid " " and resid 210 and name HB2 )) 2.900 1.100 1.100 peak 9294 spectrum 1 weight 0.10000E+01 volume 0.54916E-02 ppm1 0.660 ppm2 1.363 CV 1 ASSI { 9359} ( segid " " and resid 170 and name HG2%) (( segid " " and resid 193 and name HH2 )) 3.100 3.100 2.900 peak 9359 spectrum 1 weight 0.10000E+01 volume 0.46789E-03 ppm1 1.246 ppm2 7.239 CV 1 ASSI { 9360} ( segid " " and resid 170 and name HG2%) ( segid " " and resid 167 and name HE% ) 3.400 1.500 1.500 peak 9360 spectrum 1 weight 0.10000E+01 volume 0.10118E-02 ppm1 1.249 ppm2 6.773 CV 1 ASSI { 9362} ( segid " " and resid 170 and name HG2%) (( segid " " and resid 170 and name HB )) 1.900 0.400 0.400 peak 9362 spectrum 1 weight 0.10000E+01 volume 0.29547E-01 ppm1 1.249 ppm2 4.469 CV 1 ASSI { 9363} ( segid " " and resid 170 and name HG2%) (( segid " " and resid 169 and name HA )) 3.300 1.400 1.400 peak 9363 spectrum 1 weight 0.10000E+01 volume 0.22855E-02 ppm1 1.249 ppm2 4.054 CV 1 ASSI { 9367} ( segid " " and resid 170 and name HG2%) (( segid " " and resid 169 and name HB2 )) 3.600 1.700 1.700 peak 9367 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 1.249 ppm2 1.642 CV 1 ASSI { 9376} ( segid " " and resid 240 and name HG2%) ( segid " " and resid 237 and name HE% ) 3.300 1.400 1.400 peak 9376 spectrum 1 weight 0.10000E+01 volume 0.15763E-02 ppm1 1.094 ppm2 6.984 CV 1 ASSI { 9377} ( segid " " and resid 240 and name HG2%) (( segid " " and resid 239 and name HA )) 3.600 1.700 1.700 peak 9377 spectrum 1 weight 0.10000E+01 volume 0.15814E-02 ppm1 1.092 ppm2 4.203 CV 1 ASSI { 9379} ( segid " " and resid 240 and name HG2%) (( segid " " and resid 240 and name HB )) 2.000 0.500 0.500 peak 9379 spectrum 1 weight 0.10000E+01 volume 0.17432E-01 ppm1 1.094 ppm2 2.298 CV 1 ASSI { 9381} ( segid " " and resid 165 and name HB% ) ( segid " " and resid 209 and name HE% ) 2.900 1.000 1.000 peak 9381 spectrum 1 weight 0.10000E+01 volume 0.27373E-02 ppm1 1.059 ppm2 7.285 CV 1 ASSI { 9382} ( segid " " and resid 165 and name HB% ) ( segid " " and resid 209 and name HD% ) 2.700 0.900 0.900 peak 9382 spectrum 1 weight 0.10000E+01 volume 0.29833E-02 ppm1 1.060 ppm2 7.225 CV 1 ASSI { 9384} ( segid " " and resid 165 and name HB% ) (( segid " " and resid 165 and name HA )) 2.100 0.500 0.500 peak 9384 spectrum 1 weight 0.10000E+01 volume 0.15497E-01 ppm1 1.060 ppm2 4.432 CV 1 ASSI { 9388} ( segid " " and resid 182 and name HG1%) (( segid " " and resid 182 and name HA )) 2.500 0.800 0.800 peak 9388 spectrum 1 weight 0.10000E+01 volume 0.92682E-02 ppm1 1.033 ppm2 4.932 CV 1 ASSI { 9391} ( segid " " and resid 182 and name HG1%) (( segid " " and resid 182 and name HB )) 2.100 0.600 0.600 peak 9391 spectrum 1 weight 0.10000E+01 volume 0.14337E-01 ppm1 1.033 ppm2 1.969 CV 1 ASSI { 9394} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 164 and name HB )) 3.300 1.400 1.400 peak 9394 spectrum 1 weight 0.10000E+01 volume 0.18338E-02 ppm1 0.987 ppm2 2.082 CV 1 ASSI { 9397} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 182 and name HA )) 2.400 0.700 0.700 peak 9397 spectrum 1 weight 0.10000E+01 volume 0.69017E-02 ppm1 0.939 ppm2 4.934 CV 1 ASSI { 9402} ( segid " " and resid 245 and name HG2%) (( segid " " and resid 245 and name HA )) 2.400 0.700 0.700 peak 9402 spectrum 1 weight 0.10000E+01 volume 0.75226E-02 ppm1 0.877 ppm2 4.410 CV 1 ASSI { 9403} ( segid " " and resid 245 and name HG2%) (( segid " " and resid 266 and name HG13)) 3.500 1.500 1.500 peak 9403 spectrum 1 weight 0.10000E+01 volume 0.22836E-02 ppm1 0.880 ppm2 1.357 CV 1 ASSI { 9404} ( segid " " and resid 245 and name HG2%) ( segid " " and resid 247 and name HD1%) 2.500 0.800 0.800 peak 9404 spectrum 1 weight 0.10000E+01 volume 0.97404E-02 ppm1 0.877 ppm2 0.647 CV 1 ASSI { 9405} ( segid " " and resid 245 and name HG2%) ( segid " " and resid 247 and name HD2%) 3.400 1.400 1.400 peak 9405 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 0.876 ppm2 -0.308 CV 1 ASSI { 9406} ( segid " " and resid 245 and name HG2%) (( segid " " and resid 246 and name HA )) 3.900 1.900 1.900 peak 9406 spectrum 1 weight 0.10000E+01 volume 0.72119E-03 ppm1 0.872 ppm2 5.504 CV 1 ASSI { 9409} ( segid " " and resid 265 and name HG1%) (( segid " " and resid 264 and name HD1 )) 2.700 2.700 3.300 peak 9409 spectrum 1 weight 0.10000E+01 volume 0.10298E-02 ppm1 0.848 ppm2 7.172 CV 1 ASSI { 9410} ( segid " " and resid 265 and name HG1%) ( segid " " and resid 274 and name HD% ) 3.300 3.300 2.700 peak 9410 spectrum 1 weight 0.10000E+01 volume 0.16283E-02 ppm1 0.844 ppm2 7.052 CV 1 ASSI { 9411} ( segid " " and resid 265 and name HG1%) ( segid " " and resid 274 and name HE% ) 2.700 2.700 3.300 peak 9411 spectrum 1 weight 0.10000E+01 volume 0.36438E-02 ppm1 0.846 ppm2 6.786 CV 1 ASSI { 9412} ( segid " " and resid 265 and name HG1%) (( segid " " and resid 257 and name HD2 )) 2.900 2.900 3.100 peak 9412 spectrum 1 weight 0.10000E+01 volume 0.66100E-03 ppm1 0.844 ppm2 6.404 CV 1 ASSI { 9414} ( segid " " and resid 265 and name HG1%) (( segid " " and resid 257 and name HA )) 3.600 1.600 1.600 peak 9414 spectrum 1 weight 0.10000E+01 volume 0.17871E-02 ppm1 0.842 ppm2 4.982 CV 1 ASSI { 9415} ( segid " " and resid 265 and name HG1%) (( segid " " and resid 265 and name HA )) 2.700 0.900 0.900 peak 9415 spectrum 1 weight 0.10000E+01 volume 0.53351E-02 ppm1 0.846 ppm2 4.319 CV 1 ASSI { 9416} ( segid " " and resid 265 and name HG1%) (( segid " " and resid 273 and name HA1 )) 3.300 3.300 2.700 peak 9416 spectrum 1 weight 0.10000E+01 volume 0.11675E-02 ppm1 0.847 ppm2 4.003 CV 1 ASSI { 9417} ( segid " " and resid 265 and name HG1%) (( segid " " and resid 272 and name HB )) 3.700 1.700 1.700 peak 9417 spectrum 1 weight 0.10000E+01 volume 0.12974E-02 ppm1 0.844 ppm2 3.912 CV 1 ASSI { 9418} ( segid " " and resid 265 and name HG1%) (( segid " " and resid 257 and name HB3 )) 2.400 0.700 0.700 peak 9418 spectrum 1 weight 0.10000E+01 volume 0.35894E-02 ppm1 0.845 ppm2 3.204 CV 1 ASSI { 9421} ( segid " " and resid 265 and name HG1%) (( segid " " and resid 265 and name HB )) 2.300 0.700 0.700 peak 9421 spectrum 1 weight 0.10000E+01 volume 0.58782E-02 ppm1 0.844 ppm2 1.836 CV 1 ASSI { 9422} ( segid " " and resid 265 and name HG1%) ( segid " " and resid 259 and name HD1%) 2.200 0.600 0.600 peak 9422 spectrum 1 weight 0.10000E+01 volume 0.10543E-01 ppm1 0.845 ppm2 1.055 CV 1 ASSI { 9423} ( segid " " and resid 265 and name HG1%) ( segid " " and resid 259 and name HD2%) 2.600 0.800 0.800 peak 9423 spectrum 1 weight 0.10000E+01 volume 0.57855E-02 ppm1 0.846 ppm2 0.549 CV 1 ASSI { 9438} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 183 and name HA )) 2.300 0.700 0.700 peak 9438 spectrum 1 weight 0.10000E+01 volume 0.79197E-02 ppm1 0.785 ppm2 4.985 CV 1 ASSI { 9439} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 198 and name HA )) 3.500 1.500 1.500 peak 9439 spectrum 1 weight 0.10000E+01 volume 0.17685E-02 ppm1 0.787 ppm2 4.656 CV 1 ASSI { 9441} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 196 and name HB2 )) 2.600 0.800 0.800 peak 9441 spectrum 1 weight 0.10000E+01 volume 0.51501E-02 ppm1 0.786 ppm2 2.509 CV 1 ASSI { 9442} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 198 and name HB3 )) 3.300 1.300 1.300 peak 9442 spectrum 1 weight 0.10000E+01 volume 0.31617E-02 ppm1 0.785 ppm2 2.304 CV 1 ASSI { 9444} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 183 and name HB )) 2.200 0.600 0.600 peak 9444 spectrum 1 weight 0.10000E+01 volume 0.82276E-02 ppm1 0.786 ppm2 1.929 CV 1 ASSI { 9445} ( segid " " and resid 183 and name HG1%) ( segid " " and resid 175 and name HE% ) 2.500 0.800 0.800 peak 9445 spectrum 1 weight 0.10000E+01 volume 0.68044E-02 ppm1 0.786 ppm2 1.671 CV 1 ASSI { 9447} ( segid " " and resid 265 and name HG2%) ( segid " " and resid 274 and name HE% ) 4.100 2.100 1.900 peak 9447 spectrum 1 weight 0.10000E+01 volume 0.68153E-03 ppm1 0.743 ppm2 6.778 CV 1 ASSI { 9448} ( segid " " and resid 265 and name HG2%) (( segid " " and resid 256 and name HA )) 2.900 2.900 3.100 peak 9448 spectrum 1 weight 0.10000E+01 volume 0.86885E-03 ppm1 0.743 ppm2 4.558 CV 1 ASSI { 9449} ( segid " " and resid 265 and name HG2%) (( segid " " and resid 265 and name HA )) 2.600 0.800 0.800 peak 9449 spectrum 1 weight 0.10000E+01 volume 0.50913E-02 ppm1 0.741 ppm2 4.319 CV 1 ASSI { 9450} ( segid " " and resid 265 and name HG2%) (( segid " " and resid 272 and name HB )) 2.600 0.800 0.800 peak 9450 spectrum 1 weight 0.10000E+01 volume 0.33892E-02 ppm1 0.741 ppm2 3.910 CV 1 ASSI { 9451} ( segid " " and resid 265 and name HG2%) (( segid " " and resid 257 and name HB3 )) 3.200 1.300 1.300 peak 9451 spectrum 1 weight 0.10000E+01 volume 0.16709E-02 ppm1 0.740 ppm2 3.204 CV 1 ASSI { 9454} ( segid " " and resid 265 and name HG2%) (( segid " " and resid 256 and name HB )) 2.600 0.800 0.800 peak 9454 spectrum 1 weight 0.10000E+01 volume 0.28354E-02 ppm1 0.741 ppm2 1.528 CV 1 ASSI { 9465} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 161 and name HB2 )) 4.000 2.000 2.000 peak 9465 spectrum 1 weight 0.10000E+01 volume 0.56191E-03 ppm1 0.378 ppm2 2.645 CV 1 ASSI { 9467} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 194 and name HZ2 )) 4.000 2.000 2.000 peak 9467 spectrum 1 weight 0.10000E+01 volume 0.46504E-03 ppm1 0.374 ppm2 7.263 CV 1 ASSI { 9468} ( segid " " and resid 185 and name HG1%) ( segid " " and resid 161 and name HE% ) 3.300 3.300 2.700 peak 9468 spectrum 1 weight 0.10000E+01 volume 0.22131E-02 ppm1 0.374 ppm2 6.838 CV 1 OR { 9468} ( segid " " and resid 185 and name HG1%) ( segid " " and resid 161 and name HD% ) ASSI { 9469} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 194 and name HE3 )) 3.000 1.100 1.100 peak 9469 spectrum 1 weight 0.10000E+01 volume 0.19853E-02 ppm1 0.375 ppm2 6.727 CV 1 ASSI { 9470} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 194 and name HA )) 3.700 1.700 1.700 peak 9470 spectrum 1 weight 0.10000E+01 volume 0.85596E-03 ppm1 0.375 ppm2 5.922 CV 1 ASSI { 9471} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 196 and name HA )) 3.400 1.500 1.500 peak 9471 spectrum 1 weight 0.10000E+01 volume 0.18450E-02 ppm1 0.374 ppm2 5.314 CV 1 ASSI { 9472} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 184 and name HA )) 4.500 2.500 1.500 peak 9472 spectrum 1 weight 0.10000E+01 volume 0.65706E-03 ppm1 0.376 ppm2 5.109 CV 1 ASSI { 9473} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 187 and name HA )) 3.300 1.400 1.400 peak 9473 spectrum 1 weight 0.10000E+01 volume 0.11708E-02 ppm1 0.374 ppm2 4.487 CV 1 ASSI { 9474} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 185 and name HA )) 2.300 0.700 0.700 peak 9474 spectrum 1 weight 0.10000E+01 volume 0.63323E-02 ppm1 0.375 ppm2 4.224 CV 1 ASSI { 9475} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 186 and name HA )) 3.600 1.600 1.600 peak 9475 spectrum 1 weight 0.10000E+01 volume 0.97521E-03 ppm1 0.374 ppm2 3.990 CV 1 ASSI { 9476} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 194 and name HB2 )) 2.800 1.000 1.000 peak 9476 spectrum 1 weight 0.10000E+01 volume 0.30146E-02 ppm1 0.375 ppm2 2.916 CV 1 OR { 9476} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 194 and name HB3 )) ASSI { 9478} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 185 and name HB )) 2.300 0.700 0.700 peak 9478 spectrum 1 weight 0.10000E+01 volume 0.74688E-02 ppm1 0.375 ppm2 1.869 CV 1 ASSI { 9479} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 188 and name HB3 )) 3.100 1.200 1.200 peak 9479 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 0.375 ppm2 1.438 CV 1 ASSI { 9480} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 188 and name HB2 )) 2.900 1.000 1.000 peak 9480 spectrum 1 weight 0.10000E+01 volume 0.44751E-02 ppm1 0.375 ppm2 1.163 CV 1 OR { 9480} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 188 and name HE2 )) ASSI { 9481} ( segid " " and resid 185 and name HG1%) ( segid " " and resid 185 and name HG2%) 2.200 0.600 0.600 peak 9481 spectrum 1 weight 0.10000E+01 volume 0.11270E-01 ppm1 0.375 ppm2 0.869 CV 1 ASSI { 9483} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 188 and name HG2 )) 2.700 0.900 0.900 peak 9483 spectrum 1 weight 0.10000E+01 volume 0.22663E-02 ppm1 0.374 ppm2 -1.304 CV 1 ASSI { 9551} ( segid " " and resid 238 and name HG2%) (( segid " " and resid 246 and name HA )) 3.500 1.500 1.500 peak 9551 spectrum 1 weight 0.10000E+01 volume 0.14433E-02 ppm1 1.139 ppm2 5.513 CV 1 ASSI { 9553} ( segid " " and resid 238 and name HG2%) (( segid " " and resid 238 and name HA )) 2.200 0.600 0.600 peak 9553 spectrum 1 weight 0.10000E+01 volume 0.96897E-02 ppm1 1.139 ppm2 4.292 CV 1 ASSI { 9554} ( segid " " and resid 238 and name HG2%) (( segid " " and resid 246 and name HB3 )) 3.000 1.100 1.100 peak 9554 spectrum 1 weight 0.10000E+01 volume 0.27238E-02 ppm1 1.137 ppm2 4.059 CV 1 ASSI { 9555} ( segid " " and resid 238 and name HG2%) (( segid " " and resid 246 and name HB2 )) 3.200 1.300 1.300 peak 9555 spectrum 1 weight 0.10000E+01 volume 0.14304E-02 ppm1 1.138 ppm2 3.891 CV 1 ASSI { 9556} ( segid " " and resid 238 and name HG2%) (( segid " " and resid 238 and name HB )) 1.900 0.500 0.500 peak 9556 spectrum 1 weight 0.10000E+01 volume 0.24524E-01 ppm1 1.140 ppm2 3.621 CV 1 ASSI { 9566} ( segid " " and resid 272 and name HG2%) (( segid " " and resid 272 and name HA )) 2.300 0.700 0.700 peak 9566 spectrum 1 weight 0.10000E+01 volume 0.89173E-02 ppm1 1.047 ppm2 5.605 CV 1 ASSI { 9567} ( segid " " and resid 271 and name HG1%) (( segid " " and resid 271 and name HA )) 2.000 0.500 0.500 peak 9567 spectrum 1 weight 0.10000E+01 volume 0.22347E-01 ppm1 1.046 ppm2 4.367 CV 1 ASSI { 9568} ( segid " " and resid 271 and name HG1%) (( segid " " and resid 273 and name HA1 )) 3.100 3.100 2.900 peak 9568 spectrum 1 weight 0.10000E+01 volume 0.27066E-02 ppm1 1.044 ppm2 4.021 CV 1 ASSI { 9570} ( segid " " and resid 272 and name HG2%) (( segid " " and resid 267 and name HD2 )) 3.400 1.400 1.400 peak 9570 spectrum 1 weight 0.10000E+01 volume 0.23211E-02 ppm1 1.048 ppm2 3.087 CV 1 ASSI { 9571} ( segid " " and resid 271 and name HG1%) (( segid " " and resid 269 and name HB3 )) 3.000 3.000 3.000 peak 9571 spectrum 1 weight 0.10000E+01 volume 0.33683E-02 ppm1 1.046 ppm2 2.918 CV 1 ASSI { 9572} ( segid " " and resid 271 and name HG1%) (( segid " " and resid 271 and name HB )) 1.900 0.500 0.500 peak 9572 spectrum 1 weight 0.10000E+01 volume 0.22297E-01 ppm1 1.045 ppm2 2.211 CV 1 ASSI { 9575} ( segid " " and resid 271 and name HG1%) ( segid " " and resid 245 and name HG1%) 2.100 2.100 3.900 peak 9575 spectrum 1 weight 0.10000E+01 volume 0.12216E-01 ppm1 1.048 ppm2 0.760 CV 1 ASSI { 9577} ( segid " " and resid 205 and name HG2%) ( segid " " and resid 167 and name HD% ) 3.400 3.400 2.600 peak 9577 spectrum 1 weight 0.10000E+01 volume 0.92398E-03 ppm1 1.019 ppm2 6.922 CV 1 ASSI { 9578} ( segid " " and resid 205 and name HG2%) ( segid " " and resid 167 and name HE% ) 3.400 3.400 2.600 peak 9578 spectrum 1 weight 0.10000E+01 volume 0.11618E-02 ppm1 1.019 ppm2 6.779 CV 1 ASSI { 9580} ( segid " " and resid 205 and name HG2%) (( segid " " and resid 206 and name HD3 )) 3.100 1.200 1.200 peak 9580 spectrum 1 weight 0.10000E+01 volume 0.26069E-02 ppm1 1.020 ppm2 2.704 CV 1 ASSI { 9583} ( segid " " and resid 205 and name HG2%) (( segid " " and resid 205 and name HB )) 2.200 0.600 0.600 peak 9583 spectrum 1 weight 0.10000E+01 volume 0.96187E-02 ppm1 1.019 ppm2 1.711 CV 1 ASSI { 9589} ( segid " " and resid 271 and name HG2%) (( segid " " and resid 269 and name HB3 )) 3.000 1.200 1.200 peak 9589 spectrum 1 weight 0.10000E+01 volume 0.13143E-02 ppm1 0.963 ppm2 2.924 CV 1 ASSI { 9592} ( segid " " and resid 271 and name HG2%) (( segid " " and resid 271 and name HB )) 1.900 0.500 0.500 peak 9592 spectrum 1 weight 0.10000E+01 volume 0.23996E-01 ppm1 0.960 ppm2 2.221 CV 1 ASSI { 9596} ( segid " " and resid 240 and name HG1%) (( segid " " and resid 241 and name HA )) 3.000 1.100 1.100 peak 9596 spectrum 1 weight 0.10000E+01 volume 0.29436E-02 ppm1 0.952 ppm2 4.510 CV 1 ASSI { 9597} ( segid " " and resid 186 and name HG2%) (( segid " " and resid 188 and name HA )) 3.700 3.700 2.300 peak 9597 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 0.945 ppm2 4.199 CV 1 ASSI { 9599} ( segid " " and resid 240 and name HG1%) (( segid " " and resid 238 and name HB )) 3.000 3.000 3.000 peak 9599 spectrum 1 weight 0.10000E+01 volume 0.60338E-03 ppm1 0.949 ppm2 3.612 CV 1 ASSI { 9600} ( segid " " and resid 186 and name HG2%) ( segid " " and resid 195 and name HE% ) 3.300 1.400 1.400 peak 9600 spectrum 1 weight 0.10000E+01 volume 0.17091E-02 ppm1 0.942 ppm2 7.044 CV 1 ASSI { 9601} ( segid " " and resid 186 and name HG2%) ( segid " " and resid 195 and name HD% ) 2.300 2.300 3.700 peak 9601 spectrum 1 weight 0.10000E+01 volume 0.66018E-02 ppm1 0.940 ppm2 5.639 CV 1 ASSI { 9602} ( segid " " and resid 186 and name HG2%) (( segid " " and resid 196 and name HA )) 4.300 2.300 1.700 peak 9602 spectrum 1 weight 0.10000E+01 volume 0.10909E-02 ppm1 0.941 ppm2 5.316 CV 1 ASSI { 9603} ( segid " " and resid 186 and name HG2%) (( segid " " and resid 186 and name HA )) 2.200 2.200 3.800 peak 9603 spectrum 1 weight 0.10000E+01 volume 0.18368E-01 ppm1 0.944 ppm2 4.001 CV 1 ASSI { 9611} ( segid " " and resid 186 and name HG2%) ( segid " " and resid 186 and name HG1%) 2.000 0.500 0.500 peak 9611 spectrum 1 weight 0.10000E+01 volume 0.16712E-01 ppm1 0.940 ppm2 0.741 CV 1 ASSI { 9612} ( segid " " and resid 186 and name HG2%) ( segid " " and resid 185 and name HG1%) 4.600 2.600 1.400 peak 9612 spectrum 1 weight 0.10000E+01 volume 0.46450E-03 ppm1 0.943 ppm2 0.367 CV 1 ASSI { 9622} ( segid " " and resid 245 and name HG2%) (( segid " " and resid 273 and name HA2 )) 2.700 0.900 0.900 peak 9622 spectrum 1 weight 0.10000E+01 volume 0.20779E-02 ppm1 0.878 ppm2 4.064 CV 1 ASSI { 9625} ( segid " " and resid 245 and name HG2%) (( segid " " and resid 245 and name HB )) 2.200 0.600 0.600 peak 9625 spectrum 1 weight 0.10000E+01 volume 0.80250E-02 ppm1 0.877 ppm2 1.958 CV 1 ASSI { 9663} ( segid " " and resid 239 and name HB% ) (( segid " " and resid 245 and name HA )) 2.900 1.100 1.100 peak 9663 spectrum 1 weight 0.10000E+01 volume 0.21105E-02 ppm1 1.349 ppm2 4.410 CV 1 ASSI { 9664} ( segid " " and resid 239 and name HB% ) (( segid " " and resid 239 and name HA )) 2.200 0.600 0.600 peak 9664 spectrum 1 weight 0.10000E+01 volume 0.90078E-02 ppm1 1.349 ppm2 4.199 CV 1 ASSI { 9665} ( segid " " and resid 239 and name HB% ) (( segid " " and resid 246 and name HB3 )) 3.100 1.200 1.200 peak 9665 spectrum 1 weight 0.10000E+01 volume 0.16462E-02 ppm1 1.349 ppm2 4.068 CV 1 ASSI { 9666} ( segid " " and resid 239 and name HB% ) (( segid " " and resid 244 and name HB3 )) 2.500 0.800 0.800 peak 9666 spectrum 1 weight 0.10000E+01 volume 0.60370E-02 ppm1 1.350 ppm2 2.478 CV 1 OR { 9666} ( segid " " and resid 239 and name HB% ) (( segid " " and resid 244 and name HB2 )) ASSI { 9668} ( segid " " and resid 239 and name HB% ) ( segid " " and resid 238 and name HG2%) 3.300 1.400 1.400 peak 9668 spectrum 1 weight 0.10000E+01 volume 0.27096E-02 ppm1 1.350 ppm2 1.126 CV 1 ASSI { 9670} ( segid " " and resid 239 and name HB% ) ( segid " " and resid 245 and name HG1%) 3.900 1.900 1.900 peak 9670 spectrum 1 weight 0.10000E+01 volume 0.74272E-03 ppm1 1.350 ppm2 0.777 CV 1 ASSI { 9671} ( segid " " and resid 239 and name HB% ) (( segid " " and resid 246 and name HB2 )) 4.000 2.000 2.000 peak 9671 spectrum 1 weight 0.10000E+01 volume 0.70473E-03 ppm1 1.347 ppm2 3.888 CV 1 ASSI { 9679} ( segid " " and resid 272 and name HG2%) (( segid " " and resid 267 and name HA )) 2.900 1.000 1.000 peak 9679 spectrum 1 weight 0.10000E+01 volume 0.52148E-02 ppm1 1.049 ppm2 5.361 CV 1 ASSI { 9681} ( segid " " and resid 272 and name HG2%) (( segid " " and resid 272 and name HB )) 1.900 0.500 0.500 peak 9681 spectrum 1 weight 0.10000E+01 volume 0.17648E-01 ppm1 1.049 ppm2 3.911 CV 1 ASSI { 9685} ( segid " " and resid 232 and name HG1%) (( segid " " and resid 252 and name HA )) 2.300 0.700 0.700 peak 9685 spectrum 1 weight 0.10000E+01 volume 0.11970E-01 ppm1 0.800 ppm2 5.015 CV 1 ASSI { 9688} ( segid " " and resid 232 and name HG1%) (( segid " " and resid 232 and name HA )) 2.000 0.500 0.500 peak 9688 spectrum 1 weight 0.10000E+01 volume 0.16952E-01 ppm1 0.798 ppm2 5.146 CV 1 OR { 9688} ( segid " " and resid 232 and name HG2%) (( segid " " and resid 232 and name HA )) ASSI { 9690} ( segid " " and resid 232 and name HG1%) (( segid " " and resid 250 and name HA2 )) 3.000 3.000 3.000 peak 9690 spectrum 1 weight 0.10000E+01 volume 0.52320E-02 ppm1 0.796 ppm2 4.290 CV 1 OR { 9690} ( segid " " and resid 232 and name HG2%) (( segid " " and resid 250 and name HA2 )) ASSI { 9691} ( segid " " and resid 232 and name HG1%) (( segid " " and resid 251 and name HA )) 3.300 3.300 2.700 peak 9691 spectrum 1 weight 0.10000E+01 volume 0.26402E-02 ppm1 0.793 ppm2 4.164 CV 1 OR { 9691} ( segid " " and resid 232 and name HG2%) (( segid " " and resid 251 and name HA )) ASSI { 9692} ( segid " " and resid 232 and name HG2%) (( segid " " and resid 282 and name HE3 )) 2.400 2.400 3.600 peak 9692 spectrum 1 weight 0.10000E+01 volume 0.14091E-01 ppm1 0.798 ppm2 3.602 CV 1 OR { 9692} ( segid " " and resid 232 and name HG2%) (( segid " " and resid 282 and name HE2 )) OR { 9692} ( segid " " and resid 232 and name HG1%) (( segid " " and resid 282 and name HE2 )) ASSI { 9694} ( segid " " and resid 232 and name HG2%) (( segid " " and resid 282 and name HA )) 3.500 1.500 1.500 peak 9694 spectrum 1 weight 0.10000E+01 volume 0.15131E-02 ppm1 0.796 ppm2 2.798 CV 1 ASSI { 9695} ( segid " " and resid 232 and name HG2%) (( segid " " and resid 281 and name HB3 )) 2.400 0.700 0.700 peak 9695 spectrum 1 weight 0.10000E+01 volume 0.56263E-02 ppm1 0.796 ppm2 2.345 CV 1 OR { 9695} ( segid " " and resid 232 and name HG2%) (( segid " " and resid 281 and name HG2 )) ASSI { 9696} ( segid " " and resid 232 and name HG1%) (( segid " " and resid 232 and name HB )) 1.900 0.400 0.400 peak 9696 spectrum 1 weight 0.10000E+01 volume 0.24472E-01 ppm1 0.797 ppm2 1.788 CV 1 OR { 9696} ( segid " " and resid 232 and name HG2%) (( segid " " and resid 232 and name HB )) ASSI { 9697} ( segid " " and resid 232 and name HG1%) ( segid " " and resid 252 and name HB% ) 2.200 0.600 0.600 peak 9697 spectrum 1 weight 0.10000E+01 volume 0.14585E-01 ppm1 0.798 ppm2 1.468 CV 1 ASSI { 9702} ( segid " " and resid 245 and name HG1%) (( segid " " and resid 244 and name HA )) 3.600 1.600 1.600 peak 9702 spectrum 1 weight 0.10000E+01 volume 0.16590E-02 ppm1 0.772 ppm2 5.427 CV 1 ASSI { 9703} ( segid " " and resid 245 and name HG1%) (( segid " " and resid 245 and name HA )) 2.200 0.600 0.600 peak 9703 spectrum 1 weight 0.10000E+01 volume 0.11702E-01 ppm1 0.778 ppm2 4.407 CV 1 ASSI { 9704} ( segid " " and resid 245 and name HG1%) (( segid " " and resid 275 and name HB3 )) 3.800 1.800 1.800 peak 9704 spectrum 1 weight 0.10000E+01 volume 0.15316E-02 ppm1 0.772 ppm2 3.032 CV 1 ASSI { 9705} ( segid " " and resid 245 and name HG1%) (( segid " " and resid 245 and name HB )) 2.100 0.600 0.600 peak 9705 spectrum 1 weight 0.10000E+01 volume 0.11657E-01 ppm1 0.772 ppm2 1.953 CV 1 ASSI { 9706} ( segid " " and resid 245 and name HG1%) (( segid " " and resid 266 and name HG13)) 3.000 1.100 1.100 peak 9706 spectrum 1 weight 0.10000E+01 volume 0.43667E-02 ppm1 0.773 ppm2 1.360 CV 1 ASSI { 9708} ( segid " " and resid 245 and name HG1%) ( segid " " and resid 247 and name HD2%) 3.400 1.400 1.400 peak 9708 spectrum 1 weight 0.10000E+01 volume 0.13570E-02 ppm1 0.774 ppm2 -0.307 CV 1 ASSI { 9710} ( segid " " and resid 186 and name HG1%) ( segid " " and resid 195 and name HE% ) 3.300 1.400 1.400 peak 9710 spectrum 1 weight 0.10000E+01 volume 0.14398E-02 ppm1 0.743 ppm2 7.042 CV 1 ASSI { 9711} ( segid " " and resid 186 and name HG1%) ( segid " " and resid 195 and name HD% ) 2.600 2.600 3.400 peak 9711 spectrum 1 weight 0.10000E+01 volume 0.28185E-02 ppm1 0.743 ppm2 5.643 CV 1 ASSI { 9712} ( segid " " and resid 186 and name HG1%) (( segid " " and resid 196 and name HA )) 2.500 0.800 0.800 peak 9712 spectrum 1 weight 0.10000E+01 volume 0.38805E-02 ppm1 0.743 ppm2 5.317 CV 1 ASSI { 9714} ( segid " " and resid 186 and name HG1%) (( segid " " and resid 185 and name HA )) 3.600 1.700 1.700 peak 9714 spectrum 1 weight 0.10000E+01 volume 0.18101E-02 ppm1 0.743 ppm2 4.229 CV 1 ASSI { 9715} ( segid " " and resid 186 and name HG1%) (( segid " " and resid 186 and name HA )) 2.400 0.700 0.700 peak 9715 spectrum 1 weight 0.10000E+01 volume 0.10743E-01 ppm1 0.745 ppm2 3.986 CV 1 ASSI { 9716} ( segid " " and resid 186 and name HG1%) (( segid " " and resid 197 and name HB2 )) 2.400 0.700 0.700 peak 9716 spectrum 1 weight 0.10000E+01 volume 0.39800E-02 ppm1 0.744 ppm2 2.221 CV 1 ASSI { 9717} ( segid " " and resid 186 and name HG1%) (( segid " " and resid 186 and name HB )) 2.100 0.500 0.500 peak 9717 spectrum 1 weight 0.10000E+01 volume 0.11854E-01 ppm1 0.745 ppm2 1.930 CV 1 ASSI { 9718} ( segid " " and resid 186 and name HG1%) (( segid " " and resid 202 and name HB3 )) 2.800 1.000 1.000 peak 9718 spectrum 1 weight 0.10000E+01 volume 0.17927E-02 ppm1 0.746 ppm2 1.651 CV 1 ASSI { 9760} ( segid " " and resid 163 and name HB% ) (( segid " " and resid 210 and name HA )) 3.400 1.500 1.500 peak 9760 spectrum 1 weight 0.10000E+01 volume 0.15411E-02 ppm1 1.654 ppm2 5.416 CV 1 ASSI { 9761} ( segid " " and resid 163 and name HB% ) (( segid " " and resid 163 and name HA )) 2.300 0.600 0.600 peak 9761 spectrum 1 weight 0.10000E+01 volume 0.73946E-02 ppm1 1.655 ppm2 5.226 CV 1 ASSI { 9763} ( segid " " and resid 163 and name HB% ) (( segid " " and resid 166 and name HA )) 3.800 1.800 1.800 peak 9763 spectrum 1 weight 0.10000E+01 volume 0.54726E-03 ppm1 1.654 ppm2 4.775 CV 1 ASSI { 9765} ( segid " " and resid 163 and name HB% ) (( segid " " and resid 164 and name HA )) 3.700 1.700 1.700 peak 9765 spectrum 1 weight 0.10000E+01 volume 0.83231E-03 ppm1 1.654 ppm2 4.375 CV 1 ASSI { 9767} ( segid " " and resid 163 and name HB% ) (( segid " " and resid 209 and name HB3 )) 3.600 1.700 1.700 peak 9767 spectrum 1 weight 0.10000E+01 volume 0.67990E-03 ppm1 1.656 ppm2 3.230 CV 1 ASSI { 9768} ( segid " " and resid 163 and name HB% ) (( segid " " and resid 179 and name HA )) 2.600 0.800 0.800 peak 9768 spectrum 1 weight 0.10000E+01 volume 0.48982E-02 ppm1 1.655 ppm2 3.111 CV 1 ASSI { 9769} ( segid " " and resid 163 and name HB% ) (( segid " " and resid 181 and name HB3 )) 2.800 1.000 1.000 peak 9769 spectrum 1 weight 0.10000E+01 volume 0.41733E-02 ppm1 1.655 ppm2 2.737 CV 1 OR { 9769} ( segid " " and resid 163 and name HB% ) (( segid " " and resid 181 and name HB2 )) ASSI { 9773} ( segid " " and resid 163 and name HB% ) ( segid " " and resid 210 and name HD2%) 2.700 0.900 0.900 peak 9773 spectrum 1 weight 0.10000E+01 volume 0.39965E-02 ppm1 1.655 ppm2 0.661 CV 1 ASSI { 9774} ( segid " " and resid 252 and name HB% ) (( segid " " and resid 230 and name HB3 )) 3.800 1.800 1.800 peak 9774 spectrum 1 weight 0.10000E+01 volume 0.50515E-03 ppm1 1.473 ppm2 2.287 CV 1 OR { 9774} ( segid " " and resid 252 and name HB% ) (( segid " " and resid 230 and name HG3 )) ASSI { 9781} ( segid " " and resid 176 and name HB% ) (( segid " " and resid 176 and name HA )) 2.000 0.500 0.500 peak 9781 spectrum 1 weight 0.10000E+01 volume 0.17561E-01 ppm1 1.452 ppm2 4.607 CV 1 ASSI { 9782} ( segid " " and resid 176 and name HB% ) (( segid " " and resid 168 and name HA )) 2.600 0.900 0.900 peak 9782 spectrum 1 weight 0.10000E+01 volume 0.52397E-02 ppm1 1.452 ppm2 4.318 CV 1 ASSI { 9783} ( segid " " and resid 176 and name HB% ) (( segid " " and resid 199 and name HE2 )) 2.600 2.600 3.400 peak 9783 spectrum 1 weight 0.10000E+01 volume 0.14157E-02 ppm1 1.452 ppm2 3.050 CV 1 OR { 9783} ( segid " " and resid 176 and name HB% ) (( segid " " and resid 199 and name HE3 )) ASSI { 9784} ( segid " " and resid 176 and name HB% ) (( segid " " and resid 167 and name HB3 )) 4.100 2.100 1.900 peak 9784 spectrum 1 weight 0.10000E+01 volume 0.78423E-03 ppm1 1.451 ppm2 2.677 CV 1 OR { 9784} ( segid " " and resid 176 and name HB% ) (( segid " " and resid 167 and name HB2 )) ASSI { 9786} ( segid " " and resid 176 and name HB% ) ( segid " " and resid 175 and name HE% ) 2.800 2.800 3.200 peak 9786 spectrum 1 weight 0.10000E+01 volume 0.58692E-02 ppm1 1.452 ppm2 1.678 CV 1 ASSI { 9788} ( segid " " and resid 176 and name HB% ) (( segid " " and resid 169 and name HA )) 2.700 2.700 3.300 peak 9788 spectrum 1 weight 0.10000E+01 volume 0.11767E-02 ppm1 1.450 ppm2 4.059 CV 1 ASSI { 9789} ( segid " " and resid 176 and name HB% ) (( segid " " and resid 175 and name HG3 )) 4.100 2.100 1.900 peak 9789 spectrum 1 weight 0.10000E+01 volume 0.62351E-03 ppm1 1.449 ppm2 2.370 CV 1 ASSI { 9798} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 279 and name HA )) 4.000 2.000 2.000 peak 9798 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 0.873 ppm2 4.976 CV 1 ASSI { 9799} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 249 and name HA )) 4.200 2.200 1.800 peak 9799 spectrum 1 weight 0.10000E+01 volume 0.54034E-03 ppm1 0.874 ppm2 3.289 CV 1 ASSI { 9804} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 185 and name HA )) 3.500 1.500 1.500 peak 9804 spectrum 1 weight 0.10000E+01 volume 0.99873E-03 ppm1 0.831 ppm2 4.233 CV 1 ASSI { 9807} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 161 and name HB3 )) 3.400 1.500 1.500 peak 9807 spectrum 1 weight 0.10000E+01 volume 0.15709E-02 ppm1 0.833 ppm2 2.913 CV 1 ASSI { 9809} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 210 and name HB2 )) 3.400 1.500 1.500 peak 9809 spectrum 1 weight 0.10000E+01 volume 0.18058E-02 ppm1 0.831 ppm2 1.377 CV 1 ASSI { 9812} ( segid " " and resid 183 and name HG2%) ( segid " " and resid 161 and name HD% ) 3.600 1.700 1.700 peak 9812 spectrum 1 weight 0.10000E+01 volume 0.10577E-02 ppm1 0.828 ppm2 6.825 CV 1 ASSI { 9815} ( segid " " and resid 183 and name HG2%) (( segid " " and resid 183 and name HB )) 2.400 0.700 0.700 peak 9815 spectrum 1 weight 0.10000E+01 volume 0.52030E-02 ppm1 0.830 ppm2 1.946 CV 1 ASSI { 9849} ( segid " " and resid 236 and name HB% ) (( segid " " and resid 237 and name HA )) 3.400 1.400 1.400 peak 9849 spectrum 1 weight 0.10000E+01 volume 0.12128E-02 ppm1 1.510 ppm2 4.676 CV 1 ASSI { 9850} ( segid " " and resid 236 and name HB% ) (( segid " " and resid 236 and name HA )) 1.900 0.400 0.400 peak 9850 spectrum 1 weight 0.10000E+01 volume 0.26826E-01 ppm1 1.511 ppm2 4.441 CV 1 ASSI { 9851} ( segid " " and resid 236 and name HB% ) (( segid " " and resid 235 and name HA )) 3.900 1.900 1.900 peak 9851 spectrum 1 weight 0.10000E+01 volume 0.15167E-02 ppm1 1.508 ppm2 4.159 CV 1 ASSI { 9852} ( segid " " and resid 236 and name HB% ) (( segid " " and resid 249 and name HA )) 3.400 1.400 1.400 peak 9852 spectrum 1 weight 0.10000E+01 volume 0.15640E-02 ppm1 1.512 ppm2 3.280 CV 1 ASSI { 9854} ( segid " " and resid 236 and name HB% ) (( segid " " and resid 249 and name HG3 )) 3.500 1.500 1.500 peak 9854 spectrum 1 weight 0.10000E+01 volume 0.16575E-02 ppm1 1.512 ppm2 1.998 CV 1 OR { 9854} ( segid " " and resid 236 and name HB% ) (( segid " " and resid 249 and name HG2 )) ASSI { 9855} ( segid " " and resid 236 and name HB% ) (( segid " " and resid 249 and name HB2 )) 2.800 1.000 1.000 peak 9855 spectrum 1 weight 0.10000E+01 volume 0.28577E-02 ppm1 1.508 ppm2 1.815 CV 1 OR { 9855} ( segid " " and resid 236 and name HB% ) (( segid " " and resid 249 and name HB3 )) ASSI { 9862} ( segid " " and resid 236 and name HB% ) ( segid " " and resid 248 and name HD1%) 2.300 0.700 0.700 peak 9862 spectrum 1 weight 0.10000E+01 volume 0.99633E-02 ppm1 1.510 ppm2 0.856 CV 1 ASSI { 9864} ( segid " " and resid 252 and name HB% ) (( segid " " and resid 232 and name HA )) 2.900 1.100 1.100 peak 9864 spectrum 1 weight 0.10000E+01 volume 0.68216E-02 ppm1 1.474 ppm2 5.146 CV 1 ASSI { 9865} ( segid " " and resid 252 and name HB% ) (( segid " " and resid 252 and name HA )) 2.000 0.500 0.500 peak 9865 spectrum 1 weight 0.10000E+01 volume 0.16448E-01 ppm1 1.475 ppm2 5.013 CV 1 ASSI { 9870} ( segid " " and resid 252 and name HB% ) ( segid " " and resid 266 and name HD1%) 4.600 2.600 1.400 peak 9870 spectrum 1 weight 0.10000E+01 volume 0.68347E-03 ppm1 1.476 ppm2 0.583 CV 1 ASSI { 9871} ( segid " " and resid 252 and name HB% ) ( segid " " and resid 253 and name HG2%) 4.000 2.000 2.000 peak 9871 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 1.475 ppm2 0.509 CV 1 ASSI { 9873} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 20 and name HA )) 2.000 0.500 0.500 peak 9873 spectrum 1 weight 0.10000E+01 volume 0.19189E-01 ppm1 1.272 ppm2 4.284 CV 1 ASSI { 9874} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 19 and name HA )) 4.000 2.000 2.000 peak 9874 spectrum 1 weight 0.10000E+01 volume 0.75506E-03 ppm1 1.271 ppm2 4.002 CV 1 ASSI { 9875} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 17 and name HD3 )) 3.600 1.600 1.600 peak 9875 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 1.271 ppm2 3.196 CV 1 ASSI { 9878} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 16 and name HB3 )) 2.700 0.900 0.900 peak 9878 spectrum 1 weight 0.10000E+01 volume 0.41575E-02 ppm1 1.272 ppm2 1.768 CV 1 ASSI { 9879} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 21 and name HG3 )) 3.000 1.100 1.100 peak 9879 spectrum 1 weight 0.10000E+01 volume 0.22373E-02 ppm1 1.269 ppm2 1.448 CV 1 OR { 9879} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 21 and name HG2 )) ASSI { 9897} ( segid " " and resid 266 and name HG2%) (( segid " " and resid 264 and name HE3 )) 3.900 1.900 1.900 peak 9897 spectrum 1 weight 0.10000E+01 volume 0.77772E-03 ppm1 0.915 ppm2 6.778 CV 1 ASSI { 9898} ( segid " " and resid 266 and name HG2%) (( segid " " and resid 266 and name HA )) 2.700 0.900 0.900 peak 9898 spectrum 1 weight 0.10000E+01 volume 0.39992E-02 ppm1 0.914 ppm2 5.263 CV 1 ASSI { 9902} ( segid " " and resid 266 and name HG2%) (( segid " " and resid 275 and name HB2 )) 2.900 1.000 1.000 peak 9902 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 0.917 ppm2 2.588 CV 1 ASSI { 9903} ( segid " " and resid 266 and name HG2%) (( segid " " and resid 266 and name HB )) 2.400 0.700 0.700 peak 9903 spectrum 1 weight 0.10000E+01 volume 0.41706E-02 ppm1 0.916 ppm2 1.670 CV 1 ASSI { 9911} ( segid " " and resid 266 and name HG2%) (( segid " " and resid 264 and name HB3 )) 3.000 1.100 1.100 peak 9911 spectrum 1 weight 0.10000E+01 volume 0.16396E-02 ppm1 0.912 ppm2 2.950 CV 1 ASSI { 9921} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 280 and name HA )) 3.800 1.800 1.800 peak 9921 spectrum 1 weight 0.10000E+01 volume 0.93076E-03 ppm1 0.881 ppm2 5.509 CV 1 ASSI { 9922} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 281 and name HA )) 3.800 1.800 1.800 peak 9922 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 0.878 ppm2 4.828 CV 1 ASSI { 9924} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 235 and name HA )) 4.100 2.100 1.900 peak 9924 spectrum 1 weight 0.10000E+01 volume 0.66335E-03 ppm1 0.876 ppm2 4.147 CV 1 ASSI { 9926} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 281 and name HB3 )) 3.000 1.100 1.100 peak 9926 spectrum 1 weight 0.10000E+01 volume 0.35681E-02 ppm1 0.877 ppm2 2.347 CV 1 OR { 9926} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 281 and name HG3 )) ASSI { 9927} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 234 and name HB )) 2.100 0.500 0.500 peak 9927 spectrum 1 weight 0.10000E+01 volume 0.12334E-01 ppm1 0.877 ppm2 2.082 CV 1 ASSI { 9928} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 249 and name HG2 )) 2.600 2.600 3.400 peak 9928 spectrum 1 weight 0.10000E+01 volume 0.88165E-02 ppm1 0.876 ppm2 1.972 CV 1 OR { 9928} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 249 and name HG3 )) ASSI { 9930} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 234 and name HG12)) 2.600 0.800 0.800 peak 9930 spectrum 1 weight 0.10000E+01 volume 0.38891E-02 ppm1 0.876 ppm2 1.162 CV 1 OR { 9930} ( segid " " and resid 234 and name HG2%) (( segid " " and resid 234 and name HG13)) ASSI { 9985} ( segid " " and resid 20 and name HB% ) (( segid " " and resid 17 and name HD2 )) 2.600 0.800 0.800 peak 9985 spectrum 1 weight 0.10000E+01 volume 0.31920E-02 ppm1 1.272 ppm2 2.964 CV 1 ASSI { 9987} ( segid " " and resid 20 and name HB% ) ( segid " " and resid 165 and name HB% ) 3.200 3.200 2.800 peak 9987 spectrum 1 weight 0.10000E+01 volume 0.24563E-02 ppm1 1.271 ppm2 1.047 CV 1 ASSI {10006} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 210 and name HA )) 3.500 1.600 1.600 peak 10006 spectrum 1 weight 0.10000E+01 volume 0.11604E-02 ppm1 0.807 ppm2 5.418 CV 1 ASSI {10008} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HA )) 2.300 0.600 0.600 peak 10008 spectrum 1 weight 0.10000E+01 volume 0.10441E-01 ppm1 0.808 ppm2 4.362 CV 1 ASSI {10012} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 211 and name HG3 )) 3.200 1.300 1.300 peak 10012 spectrum 1 weight 0.10000E+01 volume 0.34185E-02 ppm1 0.807 ppm2 2.396 CV 1 ASSI {10014} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HB )) 2.100 0.600 0.600 peak 10014 spectrum 1 weight 0.10000E+01 volume 0.11895E-01 ppm1 0.808 ppm2 2.085 CV 1 ASSI {10015} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 211 and name HB2 )) 2.700 0.900 0.900 peak 10015 spectrum 1 weight 0.10000E+01 volume 0.39546E-02 ppm1 0.809 ppm2 1.877 CV 1 ASSI {10016} ( segid " " and resid 164 and name HG2%) ( segid " " and resid 163 and name HB% ) 3.600 1.600 1.600 peak 10016 spectrum 1 weight 0.10000E+01 volume 0.14039E-02 ppm1 0.810 ppm2 1.671 CV 1 ASSI {10019} ( segid " " and resid 164 and name HG2%) ( segid " " and resid 20 and name HB% ) 3.900 1.900 1.900 peak 10019 spectrum 1 weight 0.10000E+01 volume 0.93818E-03 ppm1 0.804 ppm2 1.270 CV 1 ASSI {10052} ( segid " " and resid 200 and name HB% ) (( segid " " and resid 201 and name HA )) 3.700 1.700 1.700 peak 10052 spectrum 1 weight 0.10000E+01 volume 0.16372E-02 ppm1 1.460 ppm2 4.598 CV 1 ASSI {10053} ( segid " " and resid 200 and name HB% ) (( segid " " and resid 200 and name HA )) 1.900 0.500 0.500 peak 10053 spectrum 1 weight 0.10000E+01 volume 0.26300E-01 ppm1 1.460 ppm2 4.326 CV 1 ASSI {10054} ( segid " " and resid 200 and name HB% ) (( segid " " and resid 199 and name HA )) 2.700 2.700 3.300 peak 10054 spectrum 1 weight 0.10000E+01 volume 0.11946E-02 ppm1 1.460 ppm2 3.795 CV 1 ASSI {10055} ( segid " " and resid 200 and name HB% ) (( segid " " and resid 199 and name HE3 )) 3.100 1.200 1.200 peak 10055 spectrum 1 weight 0.10000E+01 volume 0.11350E-02 ppm1 1.459 ppm2 3.034 CV 1 ASSI {10058} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HA )) 4.200 2.200 1.800 peak 10058 spectrum 1 weight 0.10000E+01 volume 0.14218E-02 ppm1 1.318 ppm2 4.255 CV 1 ASSI {10093} ( segid " " and resid 227 and name HB% ) (( segid " " and resid 227 and name HA )) 1.900 0.500 0.500 peak 10093 spectrum 1 weight 0.10000E+01 volume 0.27727E-01 ppm1 1.477 ppm2 4.229 CV 1 ASSI {10097} ( segid " " and resid 233 and name HB% ) (( segid " " and resid 280 and name HA )) 3.600 1.600 1.600 peak 10097 spectrum 1 weight 0.10000E+01 volume 0.18099E-02 ppm1 1.441 ppm2 5.513 CV 1 ASSI {10098} ( segid " " and resid 233 and name HB% ) (( segid " " and resid 233 and name HA )) 2.300 0.700 0.700 peak 10098 spectrum 1 weight 0.10000E+01 volume 0.72436E-02 ppm1 1.441 ppm2 5.153 CV 1 ASSI {10099} ( segid " " and resid 233 and name HB% ) (( segid " " and resid 247 and name HA )) 3.900 1.900 1.900 peak 10099 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 1.441 ppm2 4.874 CV 1 ASSI {10101} ( segid " " and resid 233 and name HB% ) (( segid " " and resid 249 and name HA )) 2.900 1.000 1.000 peak 10101 spectrum 1 weight 0.10000E+01 volume 0.38426E-02 ppm1 1.441 ppm2 3.284 CV 1 ASSI {10103} ( segid " " and resid 233 and name HB% ) (( segid " " and resid 251 and name HB3 )) 3.400 1.500 1.500 peak 10103 spectrum 1 weight 0.10000E+01 volume 0.22075E-02 ppm1 1.442 ppm2 2.091 CV 1 OR {10103} ( segid " " and resid 233 and name HB% ) (( segid " " and resid 251 and name HG2 )) ASSI {10104} ( segid " " and resid 233 and name HB% ) (( segid " " and resid 247 and name HB3 )) 2.700 0.900 0.900 peak 10104 spectrum 1 weight 0.10000E+01 volume 0.21178E-02 ppm1 1.443 ppm2 1.666 CV 1 ASSI {10106} ( segid " " and resid 233 and name HB% ) ( segid " " and resid 247 and name HD2%) 2.400 0.700 0.700 peak 10106 spectrum 1 weight 0.10000E+01 volume 0.55069E-02 ppm1 1.441 ppm2 -0.307 CV 1 ASSI {10108} ( segid " " and resid 233 and name HB% ) (( segid " " and resid 251 and name HB2 )) 2.700 0.900 0.900 peak 10108 spectrum 1 weight 0.10000E+01 volume 0.24857E-02 ppm1 1.440 ppm2 1.825 CV 1 ASSI {10111} ( segid " " and resid 233 and name HB% ) ( segid " " and resid 247 and name HD1%) 3.000 1.100 1.100 peak 10111 spectrum 1 weight 0.10000E+01 volume 0.32827E-02 ppm1 1.440 ppm2 0.620 CV 1 ASSI {10113} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HA )) 2.000 0.500 0.500 peak 10113 spectrum 1 weight 0.10000E+01 volume 0.22878E-01 ppm1 1.319 ppm2 3.705 CV 1 ASSI {10116} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HB2 )) 3.900 1.900 1.900 peak 10116 spectrum 1 weight 0.10000E+01 volume 0.10808E-02 ppm1 1.322 ppm2 1.806 CV 1 ASSI {10120} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HG2 )) 4.000 2.000 2.000 peak 10120 spectrum 1 weight 0.10000E+01 volume 0.81263E-03 ppm1 1.316 ppm2 2.248 CV 1 ASSI {10146} ( segid " " and resid 253 and name HG2%) ( segid " " and resid 231 and name HD% ) 3.900 1.900 1.900 peak 10146 spectrum 1 weight 0.10000E+01 volume 0.72010E-03 ppm1 0.492 ppm2 7.045 CV 1 ASSI {10148} ( segid " " and resid 253 and name HG2%) (( segid " " and resid 280 and name HA )) 4.000 2.000 2.000 peak 10148 spectrum 1 weight 0.10000E+01 volume 0.58597E-03 ppm1 0.495 ppm2 5.510 CV 1 ASSI {10149} ( segid " " and resid 253 and name HG2%) (( segid " " and resid 266 and name HA )) 4.000 2.000 2.000 peak 10149 spectrum 1 weight 0.10000E+01 volume 0.94401E-03 ppm1 0.492 ppm2 5.252 CV 1 ASSI {10152} ( segid " " and resid 253 and name HG2%) (( segid " " and resid 253 and name HA )) 3.000 1.100 1.100 peak 10152 spectrum 1 weight 0.10000E+01 volume 0.33045E-02 ppm1 0.492 ppm2 4.863 CV 1 ASSI {10154} ( segid " " and resid 253 and name HG2%) (( segid " " and resid 255 and name HA )) 3.700 1.700 1.700 peak 10154 spectrum 1 weight 0.10000E+01 volume 0.77966E-03 ppm1 0.492 ppm2 4.061 CV 1 ASSI {10155} ( segid " " and resid 253 and name HG2%) (( segid " " and resid 231 and name HB3 )) 2.800 1.000 1.000 peak 10155 spectrum 1 weight 0.10000E+01 volume 0.24295E-02 ppm1 0.491 ppm2 2.755 CV 1 OR {10155} ( segid " " and resid 253 and name HG2%) (( segid " " and resid 231 and name HB2 )) ASSI {10157} ( segid " " and resid 253 and name HG2%) (( segid " " and resid 253 and name HB )) 2.400 0.700 0.700 peak 10157 spectrum 1 weight 0.10000E+01 volume 0.49385E-02 ppm1 0.492 ppm2 2.067 CV 1 ASSI {10161} ( segid " " and resid 253 and name HG2%) ( segid " " and resid 266 and name HG2%) 3.300 1.400 1.400 peak 10161 spectrum 1 weight 0.10000E+01 volume 0.30637E-02 ppm1 0.493 ppm2 0.915 CV 1 ASSI {10164} ( segid " " and resid 253 and name HG2%) ( segid " " and resid 247 and name HD2%) 2.900 1.000 1.000 peak 10164 spectrum 1 weight 0.10000E+01 volume 0.23064E-02 ppm1 0.491 ppm2 -0.309 CV 1 ASSI {10165} ( segid " " and resid 253 and name HG2%) (( segid " " and resid 247 and name HG )) 4.200 2.200 1.800 peak 10165 spectrum 1 weight 0.10000E+01 volume 0.63757E-03 ppm1 0.489 ppm2 1.160 CV 1 ASSI {10199} ( segid " " and resid 233 and name HB% ) (( segid " " and resid 251 and name HG3 )) 4.500 2.600 1.500 peak 10199 spectrum 1 weight 0.10000E+01 volume 0.63020E-03 ppm1 1.442 ppm2 2.447 CV 1 ASSI {10248} ( segid " " and resid 198 and name HE% ) (( segid " " and resid 177 and name HA )) 2.500 0.800 0.800 peak 10248 spectrum 1 weight 0.10000E+01 volume 0.40174E-02 ppm1 2.149 ppm2 4.914 CV 1 ASSI {10250} ( segid " " and resid 198 and name HE% ) (( segid " " and resid 181 and name HA )) 2.300 2.300 3.700 peak 10250 spectrum 1 weight 0.10000E+01 volume 0.29011E-02 ppm1 2.149 ppm2 4.488 CV 1 ASSI {10252} ( segid " " and resid 198 and name HE% ) (( segid " " and resid 199 and name HE3 )) 2.100 2.100 3.900 peak 10252 spectrum 1 weight 0.10000E+01 volume 0.48105E-02 ppm1 2.149 ppm2 3.042 CV 1 OR {10252} ( segid " " and resid 198 and name HE% ) (( segid " " and resid 199 and name HE2 )) ASSI {10253} ( segid " " and resid 198 and name HE% ) (( segid " " and resid 181 and name HB3 )) 2.500 0.800 0.800 peak 10253 spectrum 1 weight 0.10000E+01 volume 0.38470E-02 ppm1 2.149 ppm2 2.734 CV 1 ASSI {10254} ( segid " " and resid 198 and name HE% ) (( segid " " and resid 198 and name HG3 )) 2.400 0.700 0.700 peak 10254 spectrum 1 weight 0.10000E+01 volume 0.51935E-02 ppm1 2.150 ppm2 2.526 CV 1 ASSI {10257} ( segid " " and resid 198 and name HE% ) (( segid " " and resid 198 and name HB2 )) 2.900 1.000 1.000 peak 10257 spectrum 1 weight 0.10000E+01 volume 0.60659E-02 ppm1 2.150 ppm2 1.871 CV 1 ASSI {10258} ( segid " " and resid 198 and name HE% ) ( segid " " and resid 175 and name HE% ) 2.300 0.600 0.600 peak 10258 spectrum 1 weight 0.10000E+01 volume 0.84804E-02 ppm1 2.150 ppm2 1.682 CV 1 ASSI {10260} ( segid " " and resid 198 and name HE% ) (( segid " " and resid 175 and name HB2 )) 2.700 0.900 0.900 peak 10260 spectrum 1 weight 0.10000E+01 volume 0.36269E-02 ppm1 2.149 ppm2 1.470 CV 1 ASSI {10261} ( segid " " and resid 198 and name HE% ) ( segid " " and resid 177 and name HD1%) 2.200 0.600 0.600 peak 10261 spectrum 1 weight 0.10000E+01 volume 0.10172E-01 ppm1 2.149 ppm2 0.974 CV 1 ASSI {10262} ( segid " " and resid 198 and name HE% ) ( segid " " and resid 183 and name HG1%) 2.400 0.700 0.700 peak 10262 spectrum 1 weight 0.10000E+01 volume 0.67031E-02 ppm1 2.149 ppm2 0.798 CV 1 ASSI {10272} ( segid " " and resid 175 and name HE% ) (( segid " " and resid 185 and name HA )) 4.000 2.000 2.000 peak 10272 spectrum 1 weight 0.10000E+01 volume 0.68053E-03 ppm1 1.670 ppm2 4.232 CV 1 ASSI {10273} ( segid " " and resid 175 and name HE% ) (( segid " " and resid 203 and name HA1 )) 4.200 2.200 1.800 peak 10273 spectrum 1 weight 0.10000E+01 volume 0.66823E-03 ppm1 1.670 ppm2 3.677 CV 1 ASSI {10274} ( segid " " and resid 175 and name HE% ) (( segid " " and resid 199 and name HE2 )) 3.300 3.300 2.700 peak 10274 spectrum 1 weight 0.10000E+01 volume 0.17736E-02 ppm1 1.671 ppm2 3.059 CV 1 OR {10274} ( segid " " and resid 175 and name HE% ) (( segid " " and resid 199 and name HE3 )) ASSI {10275} ( segid " " and resid 175 and name HE% ) (( segid " " and resid 198 and name HG2 )) 2.600 0.900 0.900 peak 10275 spectrum 1 weight 0.10000E+01 volume 0.88639E-02 ppm1 1.671 ppm2 2.499 CV 1 ASSI {10276} ( segid " " and resid 175 and name HE% ) (( segid " " and resid 175 and name HG3 )) 2.400 0.700 0.700 peak 10276 spectrum 1 weight 0.10000E+01 volume 0.73105E-02 ppm1 1.671 ppm2 2.360 CV 1 ASSI {10283} ( segid " " and resid 175 and name HE% ) ( segid " " and resid 177 and name HD1%) 2.300 0.700 0.700 peak 10283 spectrum 1 weight 0.10000E+01 volume 0.16724E-01 ppm1 1.671 ppm2 0.973 CV 1 ASSI {10284} ( segid " " and resid 175 and name HE% ) ( segid " " and resid 183 and name HG1%) 2.300 0.700 0.700 peak 10284 spectrum 1 weight 0.10000E+01 volume 0.11813E-01 ppm1 1.671 ppm2 0.804 CV 1 OR {10284} ( segid " " and resid 175 and name HE% ) ( segid " " and resid 183 and name HG2%) ASSI {10285} ( segid " " and resid 175 and name HE% ) (( segid " " and resid 203 and name HA2 )) 3.400 3.400 2.600 peak 10285 spectrum 1 weight 0.10000E+01 volume 0.92551E-03 ppm1 1.667 ppm2 3.905 CV 1 ASSI {10340} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 193 and name HD1 )) 2.500 0.800 0.800 peak 10340 spectrum 1 weight 0.10000E+01 volume 0.45342E-02 ppm1 1.897 ppm2 6.839 CV 1 ASSI {10341} ( segid " " and resid 278 and name HE% ) ( segid " " and resid 279 and name HE% ) 2.100 2.100 3.900 peak 10341 spectrum 1 weight 0.10000E+01 volume 0.54635E-02 ppm1 1.898 ppm2 6.763 CV 1 ASSI {10343} ( segid " " and resid 278 and name HE% ) ( segid " " and resid 279 and name HD% ) 2.600 2.600 3.400 peak 10343 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 1.899 ppm2 6.532 CV 1 ASSI {10344} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 11 and name HA )) 3.200 1.300 1.300 peak 10344 spectrum 1 weight 0.10000E+01 volume 0.19725E-02 ppm1 1.898 ppm2 5.189 CV 1 ASSI {10345} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 279 and name HA )) 2.900 2.900 3.100 peak 10345 spectrum 1 weight 0.10000E+01 volume 0.76768E-03 ppm1 1.901 ppm2 4.970 CV 1 ASSI {10347} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 12 and name HA )) 2.600 0.800 0.800 peak 10347 spectrum 1 weight 0.10000E+01 volume 0.34412E-02 ppm1 1.899 ppm2 4.424 CV 1 ASSI {10348} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 10 and name HA )) 1.900 1.900 4.100 peak 10348 spectrum 1 weight 0.10000E+01 volume 0.90751E-02 ppm1 1.898 ppm2 4.184 CV 1 ASSI {10349} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 191 and name HB3 )) 2.200 0.600 0.600 peak 10349 spectrum 1 weight 0.10000E+01 volume 0.11689E-01 ppm1 1.898 ppm2 4.035 CV 1 OR {10349} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 191 and name HB2 )) ASSI {10350} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 12 and name HD3 )) 2.300 0.600 0.600 peak 10350 spectrum 1 weight 0.10000E+01 volume 0.63902E-02 ppm1 1.898 ppm2 3.815 CV 1 ASSI {10351} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 12 and name HD2 )) 3.700 1.700 1.700 peak 10351 spectrum 1 weight 0.10000E+01 volume 0.13316E-02 ppm1 1.897 ppm2 3.622 CV 1 ASSI {10353} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 13 and name HD3 )) 3.300 1.400 1.400 peak 10353 spectrum 1 weight 0.10000E+01 volume 0.16060E-02 ppm1 1.896 ppm2 3.197 CV 1 ASSI {10354} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 13 and name HD2 )) 3.400 1.500 1.500 peak 10354 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 1.898 ppm2 3.037 CV 1 ASSI {10355} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 193 and name HB2 )) 2.600 2.600 3.400 peak 10355 spectrum 1 weight 0.10000E+01 volume 0.14451E-02 ppm1 1.898 ppm2 2.821 CV 1 ASSI {10358} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 278 and name HG2 )) 2.400 0.700 0.700 peak 10358 spectrum 1 weight 0.10000E+01 volume 0.55422E-02 ppm1 1.897 ppm2 1.584 CV 1 ASSI {10359} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 278 and name HB2 )) 2.800 1.000 1.000 peak 10359 spectrum 1 weight 0.10000E+01 volume 0.61500E-02 ppm1 1.898 ppm2 1.313 CV 1 ASSI {10360} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 8 and name HB3 )) 2.500 2.500 3.500 peak 10360 spectrum 1 weight 0.10000E+01 volume 0.19492E-02 ppm1 1.898 ppm2 1.019 CV 1 ASSI {10362} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 276 and name HB2 )) 2.800 1.000 1.000 peak 10362 spectrum 1 weight 0.10000E+01 volume 0.86953E-03 ppm1 1.899 ppm2 0.215 CV 1 OR {10362} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 276 and name HG3 )) ASSI {10363} ( segid " " and resid 278 and name HE% ) (( segid " " and resid 9 and name HB2 )) 2.800 2.800 3.200 peak 10363 spectrum 1 weight 0.10000E+01 volume 0.79762E-03 ppm1 1.894 ppm2 0.686 CV 1 ASSI {10402} ( segid " " and resid 266 and name HD1%) (( segid " " and resid 272 and name HA )) 4.500 2.500 1.500 peak 10402 spectrum 1 weight 0.10000E+01 volume 0.48141E-03 ppm1 0.565 ppm2 5.588 CV 1 ASSI {10404} ( segid " " and resid 266 and name HD1%) (( segid " " and resid 245 and name HA )) 4.200 2.200 1.800 peak 10404 spectrum 1 weight 0.10000E+01 volume 0.82326E-03 ppm1 0.563 ppm2 4.404 CV 1 ASSI {10405} ( segid " " and resid 266 and name HD1%) (( segid " " and resid 275 and name HB3 )) 3.000 1.100 1.100 peak 10405 spectrum 1 weight 0.10000E+01 volume 0.24120E-02 ppm1 0.563 ppm2 3.041 CV 1 ASSI {10406} ( segid " " and resid 266 and name HD1%) (( segid " " and resid 275 and name HB2 )) 2.600 0.900 0.900 peak 10406 spectrum 1 weight 0.10000E+01 volume 0.25301E-02 ppm1 0.563 ppm2 2.579 CV 1 ASSI {10407} ( segid " " and resid 266 and name HD1%) (( segid " " and resid 253 and name HB )) 2.800 1.000 1.000 peak 10407 spectrum 1 weight 0.10000E+01 volume 0.25898E-02 ppm1 0.562 ppm2 2.050 CV 1 ASSI {10408} ( segid " " and resid 266 and name HD1%) (( segid " " and resid 245 and name HB )) 2.600 0.800 0.800 peak 10408 spectrum 1 weight 0.10000E+01 volume 0.33685E-02 ppm1 0.562 ppm2 1.962 CV 1 ASSI {10409} ( segid " " and resid 266 and name HD1%) (( segid " " and resid 266 and name HG13)) 2.400 0.700 0.700 peak 10409 spectrum 1 weight 0.10000E+01 volume 0.42274E-02 ppm1 0.563 ppm2 1.344 CV 1 ASSI {10411} ( segid " " and resid 266 and name HD1%) ( segid " " and resid 253 and name HG1%) 2.100 0.600 0.600 peak 10411 spectrum 1 weight 0.10000E+01 volume 0.80766E-02 ppm1 0.562 ppm2 0.747 CV 1 ASSI {10412} ( segid " " and resid 266 and name HD1%) ( segid " " and resid 247 and name HD2%) 2.400 0.700 0.700 peak 10412 spectrum 1 weight 0.10000E+01 volume 0.44390E-02 ppm1 0.563 ppm2 -0.307 CV 1 ASSI {10414} ( segid " " and resid 266 and name HD1%) (( segid " " and resid 266 and name HA )) 3.800 1.800 1.800 peak 10414 spectrum 1 weight 0.10000E+01 volume 0.15085E-02 ppm1 0.562 ppm2 5.263 CV 1 ASSI {10416} ( segid " " and resid 266 and name HD1%) (( segid " " and resid 266 and name HB )) 2.500 0.800 0.800 peak 10416 spectrum 1 weight 0.10000E+01 volume 0.38512E-02 ppm1 0.562 ppm2 1.666 CV 1 ASSI {10421} ( segid " " and resid 256 and name HG2%) ( segid " " and resid 226 and name HD% ) 3.000 1.100 1.100 peak 10421 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 0.513 ppm2 7.053 CV 1 ASSI {10422} ( segid " " and resid 256 and name HG2%) ( segid " " and resid 226 and name HE% ) 3.300 1.400 1.400 peak 10422 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 0.514 ppm2 6.714 CV 1 ASSI {10423} ( segid " " and resid 256 and name HG2%) (( segid " " and resid 266 and name HA )) 4.300 2.400 1.700 peak 10423 spectrum 1 weight 0.10000E+01 volume 0.82294E-03 ppm1 0.514 ppm2 5.264 CV 1 ASSI {10424} ( segid " " and resid 256 and name HG2%) (( segid " " and resid 257 and name HA )) 3.400 1.500 1.500 peak 10424 spectrum 1 weight 0.10000E+01 volume 0.12439E-02 ppm1 0.514 ppm2 4.994 CV 1 ASSI {10426} ( segid " " and resid 256 and name HG2%) (( segid " " and resid 256 and name HA )) 2.300 0.700 0.700 peak 10426 spectrum 1 weight 0.10000E+01 volume 0.61342E-02 ppm1 0.513 ppm2 4.559 CV 1 ASSI {10428} ( segid " " and resid 256 and name HG2%) (( segid " " and resid 226 and name HA )) 2.400 0.700 0.700 peak 10428 spectrum 1 weight 0.10000E+01 volume 0.54473E-02 ppm1 0.514 ppm2 4.096 CV 1 ASSI {10429} ( segid " " and resid 256 and name HG2%) (( segid " " and resid 272 and name HB )) 3.200 1.300 1.300 peak 10429 spectrum 1 weight 0.10000E+01 volume 0.21669E-02 ppm1 0.513 ppm2 3.889 CV 1 ASSI {10431} ( segid " " and resid 256 and name HG2%) (( segid " " and resid 226 and name HB2 )) 3.900 1.900 1.900 peak 10431 spectrum 1 weight 0.10000E+01 volume 0.79604E-03 ppm1 0.513 ppm2 2.760 CV 1 ASSI {10432} ( segid " " and resid 256 and name HG2%) (( segid " " and resid 257 and name HB2 )) 3.000 1.100 1.100 peak 10432 spectrum 1 weight 0.10000E+01 volume 0.13941E-02 ppm1 0.513 ppm2 2.482 CV 1 ASSI {10434} ( segid " " and resid 256 and name HG2%) (( segid " " and resid 254 and name HG2 )) 3.900 1.900 1.900 peak 10434 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 0.517 ppm2 2.082 CV 1 OR {10434} ( segid " " and resid 256 and name HG2%) (( segid " " and resid 254 and name HB3 )) ASSI {10436} ( segid " " and resid 256 and name HG2%) (( segid " " and resid 256 and name HB )) 2.200 0.600 0.600 peak 10436 spectrum 1 weight 0.10000E+01 volume 0.65828E-02 ppm1 0.513 ppm2 1.529 CV 1 ASSI {10437} ( segid " " and resid 256 and name HG2%) ( segid " " and resid 272 and name HG2%) 2.600 0.800 0.800 peak 10437 spectrum 1 weight 0.10000E+01 volume 0.59072E-02 ppm1 0.513 ppm2 1.068 CV 1 ASSI {10472} ( segid " " and resid 207 and name HB% ) (( segid " " and resid 194 and name HD1 )) 3.400 1.500 1.500 peak 10472 spectrum 1 weight 0.10000E+01 volume 0.90643E-03 ppm1 -0.357 ppm2 7.427 CV 1 ASSI {10473} ( segid " " and resid 207 and name HB% ) (( segid " " and resid 194 and name HZ2 )) 3.300 1.400 1.400 peak 10473 spectrum 1 weight 0.10000E+01 volume 0.12784E-02 ppm1 -0.356 ppm2 7.280 CV 1 ASSI {10474} ( segid " " and resid 207 and name HB% ) (( segid " " and resid 194 and name HH2 )) 3.800 1.800 1.800 peak 10474 spectrum 1 weight 0.10000E+01 volume 0.56539E-03 ppm1 -0.354 ppm2 6.988 CV 1 ASSI {10476} ( segid " " and resid 207 and name HB% ) (( segid " " and resid 261 and name HA )) 2.500 0.800 0.800 peak 10476 spectrum 1 weight 0.10000E+01 volume 0.51230E-02 ppm1 -0.357 ppm2 4.125 CV 1 ASSI {10477} ( segid " " and resid 207 and name HB% ) (( segid " " and resid 212 and name HD2 )) 4.000 2.000 2.000 peak 10477 spectrum 1 weight 0.10000E+01 volume 0.57290E-03 ppm1 -0.352 ppm2 3.839 CV 1 ASSI {10479} ( segid " " and resid 207 and name HB% ) (( segid " " and resid 261 and name HB3 )) 3.500 1.500 1.500 peak 10479 spectrum 1 weight 0.10000E+01 volume 0.16690E-02 ppm1 -0.357 ppm2 3.005 CV 1 ASSI {10480} ( segid " " and resid 207 and name HB% ) (( segid " " and resid 207 and name HA )) 2.300 0.600 0.600 peak 10480 spectrum 1 weight 0.10000E+01 volume 0.84741E-02 ppm1 -0.357 ppm2 2.534 CV 1 ASSI {10481} ( segid " " and resid 207 and name HB% ) (( segid " " and resid 260 and name HB3 )) 3.300 1.400 1.400 peak 10481 spectrum 1 weight 0.10000E+01 volume 0.79979E-03 ppm1 -0.356 ppm2 1.937 CV 1 OR {10481} ( segid " " and resid 207 and name HB% ) (( segid " " and resid 260 and name HG )) ASSI {10485} ( segid " " and resid 207 and name HB% ) ( segid " " and resid 210 and name HD1%) 3.400 1.400 1.400 peak 10485 spectrum 1 weight 0.10000E+01 volume 0.18648E-02 ppm1 -0.357 ppm2 0.599 CV 1 ASSI {10489} ( segid " " and resid 207 and name HB% ) (( segid " " and resid 261 and name HB2 )) 3.600 1.600 1.600 peak 10489 spectrum 1 weight 0.10000E+01 volume 0.16328E-02 ppm1 -0.359 ppm2 2.374 CV 1 ASSI {10491} ( segid " " and resid 207 and name HB% ) ( segid " " and resid 205 and name HD1%) 3.800 3.800 2.200 peak 10491 spectrum 1 weight 0.10000E+01 volume 0.78419E-03 ppm1 -0.358 ppm2 0.947 CV 1 ASSI {10541} ( segid " " and resid 205 and name HD1%) (( segid " " and resid 205 and name HA )) 3.500 1.600 1.600 peak 10541 spectrum 1 weight 0.10000E+01 volume 0.19320E-02 ppm1 0.940 ppm2 4.976 CV 1 ASSI {10544} ( segid " " and resid 205 and name HD1%) (( segid " " and resid 194 and name HB2 )) 3.300 1.400 1.400 peak 10544 spectrum 1 weight 0.10000E+01 volume 0.12717E-02 ppm1 0.940 ppm2 2.903 CV 1 OR {10544} ( segid " " and resid 205 and name HD1%) (( segid " " and resid 194 and name HB3 )) ASSI {10545} ( segid " " and resid 205 and name HD1%) (( segid " " and resid 196 and name HB3 )) 3.100 1.200 1.200 peak 10545 spectrum 1 weight 0.10000E+01 volume 0.29070E-02 ppm1 0.940 ppm2 2.628 CV 1 ASSI {10546} ( segid " " and resid 205 and name HD1%) (( segid " " and resid 196 and name HB2 )) 2.600 0.800 0.800 peak 10546 spectrum 1 weight 0.10000E+01 volume 0.31195E-02 ppm1 0.940 ppm2 2.507 CV 1 ASSI {10547} ( segid " " and resid 205 and name HD1%) (( segid " " and resid 206 and name HD2 )) 3.200 1.300 1.300 peak 10547 spectrum 1 weight 0.10000E+01 volume 0.16811E-02 ppm1 0.940 ppm2 2.360 CV 1 ASSI {10548} ( segid " " and resid 205 and name HD1%) ( segid " " and resid 198 and name HE% ) 3.400 1.400 1.400 peak 10548 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 0.940 ppm2 2.164 CV 1 ASSI {10695} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 281 and name HA )) 3.300 1.400 1.400 peak 10695 spectrum 1 weight 0.10000E+01 volume 0.12968E-02 ppm1 0.916 ppm2 4.837 CV 1 ASSI {10696} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 279 and name HB3 )) 3.800 1.800 1.800 peak 10696 spectrum 1 weight 0.10000E+01 volume 0.10098E-02 ppm1 0.915 ppm2 3.987 CV 1 ASSI {10697} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 279 and name HB2 )) 4.100 2.100 1.900 peak 10697 spectrum 1 weight 0.10000E+01 volume 0.72494E-03 ppm1 0.914 ppm2 2.996 CV 1 ASSI {10699} ( segid " " and resid 234 and name HD1%) ( segid " " and resid 279 and name HD% ) 3.400 3.400 2.600 peak 10699 spectrum 1 weight 0.10000E+01 volume 0.15367E-02 ppm1 0.911 ppm2 6.523 CV 1 ASSI {10700} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 280 and name HA )) 3.700 1.700 1.700 peak 10700 spectrum 1 weight 0.10000E+01 volume 0.11888E-02 ppm1 0.911 ppm2 5.509 CV 1 ASSI {10701} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 233 and name HA )) 4.200 2.200 1.800 peak 10701 spectrum 1 weight 0.10000E+01 volume 0.77966E-03 ppm1 0.913 ppm2 5.143 CV 1 ASSI {10702} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 279 and name HA )) 2.600 0.800 0.800 peak 10702 spectrum 1 weight 0.10000E+01 volume 0.46947E-02 ppm1 0.913 ppm2 4.973 CV 1 ASSI {10704} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 234 and name HA )) 3.400 1.400 1.400 peak 10704 spectrum 1 weight 0.10000E+01 volume 0.46296E-02 ppm1 0.913 ppm2 4.441 CV 1 ASSI {10705} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 235 and name HA )) 4.000 2.000 2.000 peak 10705 spectrum 1 weight 0.10000E+01 volume 0.76614E-03 ppm1 0.912 ppm2 4.156 CV 1 ASSI {10707} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 281 and name HG3 )) 3.300 1.400 1.400 peak 10707 spectrum 1 weight 0.10000E+01 volume 0.21958E-02 ppm1 0.911 ppm2 2.342 CV 1 OR {10707} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 281 and name HB3 )) OR {10707} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 281 and name HG2 )) ASSI {10708} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 234 and name HB )) 2.100 0.600 0.600 peak 10708 spectrum 1 weight 0.10000E+01 volume 0.11745E-01 ppm1 0.912 ppm2 2.085 CV 1 ASSI {10710} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 234 and name HG12)) 2.100 0.500 0.500 peak 10710 spectrum 1 weight 0.10000E+01 volume 0.14505E-01 ppm1 0.912 ppm2 1.152 CV 1 OR {10710} ( segid " " and resid 234 and name HD1%) (( segid " " and resid 234 and name HG13)) ASSI {10712} ( segid " " and resid 234 and name HD1%) ( segid " " and resid 280 and name HD2%) 4.400 2.400 1.600 peak 10712 spectrum 1 weight 0.10000E+01 volume 0.54079E-03 ppm1 0.913 ppm2 0.496 CV 1 OR {10712} ( segid " " and resid 234 and name HD1%) ( segid " " and resid 280 and name HD1%) ASSI {10722} ( segid " " and resid 164 and name HD1%) ( segid " " and resid 209 and name HD% ) 3.800 1.800 1.800 peak 10722 spectrum 1 weight 0.10000E+01 volume 0.64630E-03 ppm1 0.669 ppm2 7.211 CV 1 ASSI {10723} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 210 and name HA )) 3.900 1.900 1.900 peak 10723 spectrum 1 weight 0.10000E+01 volume 0.53166E-03 ppm1 0.670 ppm2 5.419 CV 1 ASSI {10724} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 163 and name HA )) 4.100 2.100 1.900 peak 10724 spectrum 1 weight 0.10000E+01 volume 0.83828E-03 ppm1 0.669 ppm2 5.238 CV 1 ASSI {10729} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 17 and name HD2 )) 3.200 1.300 1.300 peak 10729 spectrum 1 weight 0.10000E+01 volume 0.16912E-02 ppm1 0.667 ppm2 2.968 CV 1 ASSI {10731} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 164 and name HB )) 2.300 0.700 0.700 peak 10731 spectrum 1 weight 0.10000E+01 volume 0.83534E-02 ppm1 0.669 ppm2 2.081 CV 1 ASSI {10733} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 21 and name HG3 )) 2.400 2.400 3.600 peak 10733 spectrum 1 weight 0.10000E+01 volume 0.24252E-02 ppm1 0.670 ppm2 1.455 CV 1 OR {10733} ( segid " " and resid 164 and name HD1%) (( segid " " and resid 21 and name HG2 )) ASSI {10734} ( segid " " and resid 164 and name HD1%) ( segid " " and resid 20 and name HB% ) 2.400 0.700 0.700 peak 10734 spectrum 1 weight 0.10000E+01 volume 0.61401E-02 ppm1 0.668 ppm2 1.273 CV 1 ASSI {10935} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 254 and name HA )) 3.500 1.600 1.600 peak 10935 spectrum 1 weight 0.10000E+01 volume 0.80042E-03 ppm1 0.656 ppm2 5.005 CV 1 ASSI {10937} ( segid " " and resid 256 and name HD1%) ( segid " " and resid 226 and name HD% ) 3.100 3.100 2.900 peak 10937 spectrum 1 weight 0.10000E+01 volume 0.12736E-02 ppm1 0.653 ppm2 7.052 CV 1 ASSI {10939} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 272 and name HA )) 4.500 2.600 1.500 peak 10939 spectrum 1 weight 0.10000E+01 volume 0.68185E-03 ppm1 0.653 ppm2 5.600 CV 1 ASSI {10940} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 267 and name HA )) 4.200 2.200 1.800 peak 10940 spectrum 1 weight 0.10000E+01 volume 0.10272E-02 ppm1 0.653 ppm2 5.342 CV 1 ASSI {10941} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 266 and name HA )) 3.900 1.900 1.900 peak 10941 spectrum 1 weight 0.10000E+01 volume 0.10496E-02 ppm1 0.650 ppm2 5.277 CV 1 ASSI {10942} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 256 and name HA )) 2.300 0.700 0.700 peak 10942 spectrum 1 weight 0.10000E+01 volume 0.47843E-02 ppm1 0.653 ppm2 4.557 CV 1 ASSI {10945} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 272 and name HB )) 3.400 1.400 1.400 peak 10945 spectrum 1 weight 0.10000E+01 volume 0.32629E-02 ppm1 0.652 ppm2 3.903 CV 1 ASSI {10946} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 267 and name HD3 )) 3.000 1.100 1.100 peak 10946 spectrum 1 weight 0.10000E+01 volume 0.13169E-02 ppm1 0.653 ppm2 3.293 CV 1 ASSI {10948} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 267 and name HD2 )) 3.600 1.600 1.600 peak 10948 spectrum 1 weight 0.10000E+01 volume 0.16668E-02 ppm1 0.653 ppm2 3.078 CV 1 ASSI {10951} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 254 and name HG3 )) 4.000 2.000 2.000 peak 10951 spectrum 1 weight 0.10000E+01 volume 0.64304E-03 ppm1 0.653 ppm2 2.262 CV 1 ASSI {10952} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 254 and name HG2 )) 2.900 1.100 1.100 peak 10952 spectrum 1 weight 0.10000E+01 volume 0.16440E-02 ppm1 0.652 ppm2 2.079 CV 1 OR {10952} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 254 and name HB3 )) ASSI {10953} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 267 and name HB3 )) 2.500 0.800 0.800 peak 10953 spectrum 1 weight 0.10000E+01 volume 0.29373E-02 ppm1 0.653 ppm2 1.834 CV 1 ASSI {10954} ( segid " " and resid 256 and name HD1%) (( segid " " and resid 256 and name HB )) 2.900 1.000 1.000 peak 10954 spectrum 1 weight 0.10000E+01 volume 0.53966E-02 ppm1 0.652 ppm2 1.506 CV 1 ASSI {10955} ( segid " " and resid 256 and name HD1%) ( segid " " and resid 272 and name HG2%) 2.600 0.800 0.800 peak 10955 spectrum 1 weight 0.10000E+01 volume 0.10718E-01 ppm1 0.653 ppm2 1.053 CV 1 ! fixed restraints assign (resid 237 and name HN ) (resid 248 and name HA ) 2.00 1.00 1.00 assign (resid 195 and name HN ) (resid 188 and name HA ) 2.00 1.00 1.00 assign (resid 231 and name HN ) (resid 253 and name HN ) 2.00 1.00 1.00 assign (resid 231 and name HN ) (resid 254 and name HA ) 2.00 1.00 1.00 assign (resid 233 and name HN ) (resid 252 and name HA ) 2.00 1.00 1.00 assign (resid 196 and name HN ) (resid 203 and name HN ) 2.00 1.00 1.00 assign (resid 196 and name HN ) (resid 204 and name HA ) 2.00 1.00 2.00 assign (resid 255 and name HN ) (resid 230 and name HA ) 2.00 1.00 1.00 assign (resid 161 and name HN ) (resid 184 and name HA ) 2.00 1.00 2.00 assign (resid 161 and name HN ) (resid 183 and name HN ) 2.00 1.00 1.00 assign (resid 162 and name HN ) (resid 212 and name HA ) 2.00 1.00 2.00 assign (resid 211 and name HN ) (resid 163 and name HA ) 2.00 1.00 1.00 assign (resid 237 and name HN ) (resid 248 and name HA ) 2.00 1.00 1.00 assign (resid 254 and name HN ) (resid 268 and name HA ) 2.00 1.00 1.00 assign (resid 177 and name HN ) (resid 168 and name HA ) 2.00 1.00 1.00 assign (resid 193 and name HH2 ) (resid 167 and name HE1 ) 2.00 1.00 1.00 assign (resid 263 and name HH2 ) (resid 237 and name HE1 ) 2.00 1.00 1.00 ! ! 15N-edited NOESY p47(2H/15N)+p22(NL) assign ( resid 193 and name HE1 ) ( resid 11 and name HN ) 2.00 1.00 5.00 assign ( resid 193 and name HE1 ) ( resid 12 and name HA ) 2.00 1.00 2.00 assign ( resid 193 and name HE1 ) ( resid 12 and name HD% ) 2.00 1.00 2.00 assign ( resid 193 and name HE1 ) ( resid 9 and name HD% ) 2.00 1.00 2.00 assign ( resid 193 and name HE1 ) ( resid 9 and name HB% ) 2.00 1.00 2.00 assign ( resid 193 and name HE1 ) ( resid 8 and name HG% ) 2.00 1.00 5.00 assign ( resid 193 and name HE1 ) ( resid 9 and name HG% ) 2.00 1.00 2.00 assign ( resid 204 and name HE1 ) ( resid 7 and name HN ) 2.00 1.00 5.00 assign ( resid 204 and name HE1 ) ( resid 7 and name HA ) 2.00 1.00 5.00 assign ( resid 204 and name HE1 ) ( resid 6 and name HA ) 2.00 1.00 5.00 assign ( resid 204 and name HE1 ) ( resid 8 and name HA ) 2.00 1.00 2.00 assign ( resid 204 and name HE1 ) ( resid 7 and name HB% ) 2.00 1.00 5.00 assign ( resid 204 and name HE1 ) ( resid 8 and name HB% ) 2.00 1.00 5.00 assign ( resid 263 and name HE1 ) ( resid 14 and name HA ) 2.00 1.00 5.00 assign ( resid 263 and name HE1 ) ( resid 15 and name HA ) 2.00 1.00 5.00 assign ( resid 263 and name HE1 ) ( resid 16 and name HD% ) 2.00 1.00 5.00 !assign ( resid 263 and name HE1 ) ( resid 16 and name HB% ) 2.00 1.00 5.00 !assign ( resid 263 and name HE1 ) ( resid 16 and name HG% ) 2.00 1.00 5.00 ! ! 15N-edited NOESY p47(15N)+p22(NL) assign ( resid 204 and name HE1 ) ( resid 195 and name HZ ) 2.00 1.00 4.00 !assign ( resid 204 and name HE1 ) ( resid 195 and name HA ) 2.00 1.00 4.00 assign ( resid 204 and name HE1 ) ( resid 7 and name HG% ) 2.00 1.00 4.00 assign ( resid 193 and name HE1 ) ( resid 11 and name HN ) 2.00 1.00 4.00 assign ( resid 193 and name HE1 ) ( resid 9 and name HA ) 2.00 1.00 4.00 !assign ( resid 195 and name HN ) ( resid 195 and name HZ ) 2.00 1.00 4.00 assign ( resid 263 and name HE1 ) ( resid 13 and name HA ) 2.00 1.00 4.00 assign ( resid 263 and name HE1 ) ( resid 13 and name HD% ) 2.00 1.00 4.00 assign ( resid 263 and name HE1 ) ( resid 15 and name HG% ) 2.00 1.00 4.00 assign ( resid 263 and name HE1 ) ( resid 13 and name HG% ) 2.00 1.00 4.00 assign ( resid 282 and name HN ) ( resid 231 and name HD% ) 2.00 1.00 4.00 assign ( resid 163 and name HN ) ( resid 162 and name HA ) 2.00 1.00 4.00 assign ( resid 196 and name HN ) ( resid 198 and name HG% ) 2.00 1.00 4.00 assign ( resid 196 and name HN ) ( resid 203 and name HA% ) 2.00 1.00 4.00 assign ( resid 165 and name HN ) ( resid 209 and name HD% ) 2.00 1.00 4.00 !assign ( resid 193 and name HN ) ( resid 204 and name HA ) 2.00 1.00 4.00 assign ( resid 209 and name HN ) ( resid 206 and name HA ) 2.00 1.00 4.00 assign ( resid 280 and name HN ) ( resid 231 and name HD% ) 2.00 1.00 4.00 assign ( resid 280 and name HN ) ( resid 279 and name HB% ) 2.00 1.00 4.00 !assign ( resid 280 and name HN ) ( resid 232 and name HB ) 2.00 1.00 4.00 assign ( resid 280 and name HN ) ( resid 234 and name HB ) 2.00 1.00 4.00 assign ( resid 267 and name HN ) ( resid 273 and name HA% ) 2.00 1.00 4.00 assign ( resid 229 and name HN ) ( resid 231 and name HD% ) 2.00 1.00 4.00 assign ( resid 281 and name HN ) ( resid 233 and name HN ) 2.00 1.00 4.00 !assign ( resid 211 and name HN ) ( resid 161 and name HN ) 2.00 1.00 4.00 !assign ( resid 211 and name HN ) ( resid 160 and name HA ) 2.00 1.00 4.00 assign ( resid 211 and name HN ) ( resid 161 and name HD% ) 2.00 1.00 4.00 !assign ( resid 234 and name HN ) ( resid 279 and name HA ) 2.00 1.00 4.00 assign ( resid 244 and name HN ) ( resid 263 and name HE3 ) 2.00 1.00 4.00 assign ( resid 210 and name HN ) ( resid 161 and name HD% ) 2.00 1.00 4.00 assign ( resid 265 and name HN ) ( resid 257 and name HA ) 2.00 1.00 4.00 assign ( resid 177 and name HN ) ( resid 167 and name HD% ) 2.00 1.00 4.00 assign ( resid 164 and name HN ) ( resid 211 and name HN ) 2.00 1.00 4.00 assign ( resid 187 and name HN ) ( resid 202 and name HD% ) 2.00 1.00 4.00 assign ( resid 187 and name HN ) ( resid 202 and name HB% ) 2.00 1.00 4.00 !assign ( resid 19 and name HN ) ( resid 208 and name HN ) 2.00 1.00 4.00 !assign ( resid 19 and name HN ) ( resid 209 and name HA ) 2.00 1.00 4.00 assign ( resid 189 and name HN ) ( resid 194 and name HE1 ) 2.00 1.00 4.00 !assign ( resid 189 and name HN ) ( resid 204 and name HE3 ) 2.00 1.00 4.00 assign ( resid 10 and name HN ) ( resid 9 and name HG% ) 2.00 1.00 4.00 !assign ( resid 192 and name HN ) ( resid 264 and name HE3 ) 2.00 1.00 4.00 !assign ( resid 192 and name HN ) ( resid 204 and name HA ) 2.00 1.00 4.00 assign ( resid 193 and name HE1 ) ( resid 262 and name HA% ) 2.00 1.00 4.00 assign ( resid 196 and name HN ) ( resid 195 and name HD% ) 2.00 1.00 4.00 assign ( resid 18 and name HN ) ( resid 22 and name HN ) 2.00 1.00 4.00 assign ( resid 185 and name HN ) ( resid 161 and name HD% ) 2.00 1.00 4.00 assign ( resid 247 and name HN ) ( resid 237 and name HD% ) 2.00 1.00 4.00 assign ( resid 15 and name HN ) ( resid 15 and name HA ) 2.00 1.00 4.00 assign ( resid 279 and name HN ) ( resid 277 and name HA ) 2.00 1.00 4.00 assign ( resid 187 and name HN ) ( resid 195 and name HD% ) 2.00 1.00 4.00 assign ( resid 160 and name HN ) ( resid 161 and name HD% ) 2.00 1.00 4.00 ! ! run64 iteration 8 15N.tbl ASSI { 18} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 9 and name HD2 )) 4.900 3.100 1.100 peak 18 spectrum 1 weight 0.10000E+01 volume 0.13074E-02 ppm1 9.761 ppm2 3.732 CV 1 ASSI { 29} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 7 and name HN )) 3.200 3.200 2.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.14589E-02 ppm1 9.765 ppm2 8.240 CV 1 OR { 29} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 196 and name HN )) ASSI { 30} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 6 and name HA )) 4.100 2.100 1.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.11902E-02 ppm1 9.766 ppm2 4.371 CV 1 ASSI { 31} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 204 and name HB2 )) 4.300 2.300 1.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.11331E-02 ppm1 9.765 ppm2 2.613 CV 1 ASSI { 35} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 204 and name HD1 )) 2.400 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.21613E-01 ppm1 9.763 ppm2 7.439 CV 1 ASSI { 36} (( segid " " and resid 204 and name HE1 )) ( segid " " and resid 195 and name HE% ) 4.600 2.600 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.14392E-02 ppm1 9.763 ppm2 7.159 CV 1 OR { 36} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 204 and name HH2 )) ASSI { 37} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 204 and name HZ2 )) 2.600 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.15454E-01 ppm1 9.763 ppm2 7.001 CV 1 ASSI { 39} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 7 and name HA )) 3.600 3.600 2.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.19621E-02 ppm1 9.762 ppm2 4.542 CV 1 ASSI { 41} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 9 and name HD3 )) 4.200 2.200 1.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 9.762 ppm2 3.866 CV 1 ASSI { 43} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 6 and name HB3 )) 3.800 1.800 1.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.24175E-02 ppm1 9.762 ppm2 1.869 CV 1 ASSI { 44} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 6 and name HG3 )) 3.400 1.400 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.17728E-02 ppm1 9.763 ppm2 1.325 CV 1 ASSI { 45} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 9 and name HG3 )) 4.100 2.100 1.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.14569E-02 ppm1 9.760 ppm2 0.986 CV 1 ASSI { 46} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 8 and name HB2 )) 3.100 3.100 2.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.98402E-03 ppm1 9.763 ppm2 0.518 CV 1 OR { 46} (( segid " " and resid 204 and name HE1 )) (( segid " " and resid 195 and name HB2 )) ASSI { 71} (( segid " " and resid 258 and name HN )) (( segid " " and resid 257 and name HB2 )) 4.700 2.700 1.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.15961E-02 ppm1 8.618 ppm2 2.481 CV 1 OR { 71} (( segid " " and resid 258 and name HN )) (( segid " " and resid 258 and name HE2 )) ASSI { 72} (( segid " " and resid 258 and name HN )) (( segid " " and resid 258 and name HA )) 3.100 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.28864E-02 ppm1 8.617 ppm2 2.129 CV 1 ASSI { 73} (( segid " " and resid 258 and name HN )) (( segid " " and resid 222 and name HB2 )) 4.400 2.400 1.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.14115E-02 ppm1 8.619 ppm2 1.893 CV 1 ASSI { 75} (( segid " " and resid 258 and name HN )) (( segid " " and resid 257 and name HN )) 4.200 2.200 1.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.12398E-02 ppm1 8.614 ppm2 7.722 CV 1 ASSI { 76} (( segid " " and resid 258 and name HN )) (( segid " " and resid 257 and name HD2 )) 2.700 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.64179E-02 ppm1 8.614 ppm2 6.434 CV 1 ASSI { 77} (( segid " " and resid 258 and name HN )) (( segid " " and resid 257 and name HA )) 2.400 0.700 0.700 peak 77 spectrum 1 weight 0.10000E+01 volume 0.13422E-01 ppm1 8.615 ppm2 4.965 CV 1 ASSI { 79} (( segid " " and resid 258 and name HN )) (( segid " " and resid 224 and name HA )) 3.000 3.000 3.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.18258E-02 ppm1 8.614 ppm2 4.071 CV 1 ASSI { 80} (( segid " " and resid 258 and name HN )) (( segid " " and resid 257 and name HB3 )) 4.000 2.000 2.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.14294E-02 ppm1 8.614 ppm2 3.153 CV 1 ASSI { 82} (( segid " " and resid 258 and name HN )) (( segid " " and resid 255 and name HB )) 4.500 2.500 1.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.13946E-02 ppm1 8.614 ppm2 1.879 CV 1 OR { 82} (( segid " " and resid 258 and name HN )) (( segid " " and resid 222 and name HB2 )) ASSI { 83} (( segid " " and resid 258 and name HN )) (( segid " " and resid 224 and name HB3 )) 3.000 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.64450E-02 ppm1 8.614 ppm2 1.141 CV 1 OR { 83} (( segid " " and resid 258 and name HN )) (( segid " " and resid 258 and name HB3 )) ASSI { 84} (( segid " " and resid 258 and name HN )) (( segid " " and resid 258 and name HB2 )) 2.800 1.000 1.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.44733E-02 ppm1 8.613 ppm2 0.835 CV 1 ASSI { 85} (( segid " " and resid 258 and name HN )) ( segid " " and resid 259 and name HD2%) 4.600 2.600 1.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10700E-02 ppm1 8.611 ppm2 0.563 CV 1 OR { 85} (( segid " " and resid 258 and name HN )) ( segid " " and resid 280 and name HD1%) ASSI { 86} (( segid " " and resid 258 and name HN )) (( segid " " and resid 258 and name HG3 )) 2.600 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.49803E-02 ppm1 8.614 ppm2 0.302 CV 1 ASSI { 87} (( segid " " and resid 258 and name HN )) (( segid " " and resid 258 and name HG2 )) 4.000 2.000 2.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.24909E-02 ppm1 8.613 ppm2 -1.479 CV 1 ASSI { 124} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 193 and name HZ2 )) 2.900 1.000 1.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.98402E-02 ppm1 10.149 ppm2 7.137 CV 1 ASSI { 125} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 193 and name HD1 )) 2.600 0.800 0.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.12076E-01 ppm1 10.149 ppm2 6.824 CV 1 ASSI { 127} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 12 and name HA )) 3.900 1.900 1.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.52073E-02 ppm1 10.151 ppm2 4.392 CV 1 ! ASSI { 130} ! (( segid " " and resid 193 and name HE1 )) ! (( segid " " and resid 14 and name HD3 )) ! 3.900 1.900 1.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.18669E-02 ppm1 10.148 ppm2 3.178 CV 1 ! OR { 130} ! (( segid " " and resid 193 and name HE1 )) ! (( segid " " and resid 262 and name HA1 )) ASSI { 131} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 13 and name HD2 )) 4.000 2.000 2.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.45283E-02 ppm1 10.149 ppm2 3.031 CV 1 ASSI { 132} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 9 and name HB3 )) 3.600 1.600 1.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.97785E-02 ppm1 10.150 ppm2 1.864 CV 1 ! ASSI { 133} ! (( segid " " and resid 193 and name HE1 )) ! (( segid " " and resid 12 and name HG2 )) ! 4.900 3.000 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.17461E-02 ppm1 10.147 ppm2 1.493 CV 1 ASSI { 134} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 9 and name HG3 )) 4.300 2.300 1.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.24522E-02 ppm1 10.150 ppm2 1.011 CV 1 ASSI { 135} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 9 and name HB2 )) 3.400 1.500 1.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.37785E-02 ppm1 10.150 ppm2 0.659 CV 1 ASSI { 136} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 9 and name HG2 )) 3.700 1.700 1.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.10077E-02 ppm1 10.151 ppm2 -0.577 CV 1 ASSI { 145} (( segid " " and resid 195 and name HN )) (( segid " " and resid 204 and name HA )) 4.500 2.500 1.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.97290E-03 ppm1 9.443 ppm2 5.296 CV 1 ASSI { 146} (( segid " " and resid 195 and name HN )) (( segid " " and resid 185 and name HB )) 3.900 1.900 1.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.32044E-02 ppm1 9.444 ppm2 1.850 CV 1 OR { 146} (( segid " " and resid 195 and name HN )) (( segid " " and resid 187 and name HB2 )) ASSI { 147} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HN )) 4.500 2.600 1.500 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 9.439 ppm2 10.131 CV 1 ASSI { 149} (( segid " " and resid 195 and name HN )) (( segid " " and resid 186 and name HN )) 4.300 2.300 1.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.11585E-02 ppm1 9.438 ppm2 8.950 CV 1 ASSI { 150} (( segid " " and resid 195 and name HN )) (( segid " " and resid 196 and name HN )) 4.400 2.400 1.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.12662E-02 ppm1 9.437 ppm2 8.219 CV 1 ASSI { 151} (( segid " " and resid 195 and name HN )) (( segid " " and resid 187 and name HN )) 3.400 1.400 1.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.38271E-02 ppm1 9.440 ppm2 7.885 CV 1 ASSI { 152} (( segid " " and resid 195 and name HN )) (( segid " " and resid 189 and name HN )) 4.100 2.100 1.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.26648E-02 ppm1 9.439 ppm2 7.495 CV 1 ASSI { 153} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HD1 )) 5.000 3.200 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.21420E-02 ppm1 9.439 ppm2 7.405 CV 1 ASSI { 154} (( segid " " and resid 195 and name HN )) ( segid " " and resid 195 and name HE% ) 4.100 2.100 1.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.33581E-02 ppm1 9.442 ppm2 7.159 CV 1 OR { 154} (( segid " " and resid 195 and name HN )) (( segid " " and resid 204 and name HE3 )) ASSI { 155} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HA )) 2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.13603E-01 ppm1 9.440 ppm2 5.890 CV 1 ASSI { 157} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HA )) 2.900 1.100 1.100 peak 157 spectrum 1 weight 0.10000E+01 volume 0.39378E-02 ppm1 9.440 ppm2 4.100 CV 1 ASSI { 158} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HB3 )) 3.400 1.400 1.400 peak 158 spectrum 1 weight 0.10000E+01 volume 0.52831E-02 ppm1 9.441 ppm2 2.885 CV 1 OR { 158} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HB2 )) ASSI { 159} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HB3 )) 2.900 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.69697E-02 ppm1 9.440 ppm2 2.275 CV 1 ASSI { 160} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HB2 )) 2.700 0.900 0.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.60141E-02 ppm1 9.441 ppm2 0.523 CV 1 ASSI { 175} (( segid " " and resid 195 and name HN )) ( segid " " and resid 185 and name HG2%) 4.300 2.300 1.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.12800E-02 ppm1 9.441 ppm2 0.895 CV 1 ASSI { 176} (( segid " " and resid 195 and name HN )) ( segid " " and resid 185 and name HG1%) 3.800 3.800 2.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.24780E-02 ppm1 9.438 ppm2 0.355 CV 1 ASSI { 217} (( segid " " and resid 263 and name HE1 )) (( segid " " and resid 263 and name HZ2 )) 3.000 1.100 1.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.74241E-02 ppm1 9.711 ppm2 7.153 CV 1 OR { 217} (( segid " " and resid 263 and name HE1 )) (( segid " " and resid 193 and name HZ2 )) ASSI { 218} (( segid " " and resid 263 and name HE1 )) (( segid " " and resid 263 and name HH2 )) 4.600 2.700 1.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.18158E-02 ppm1 9.713 ppm2 7.020 CV 1 ASSI { 219} (( segid " " and resid 263 and name HE1 )) (( segid " " and resid 12 and name HA )) 2.700 2.700 3.300 peak 219 spectrum 1 weight 0.10000E+01 volume 0.24321E-02 ppm1 9.713 ppm2 4.447 CV 1 ASSI { 228} (( segid " " and resid 263 and name HE1 )) (( segid " " and resid 263 and name HD1 )) 2.600 0.900 0.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.14771E-01 ppm1 9.711 ppm2 6.638 CV 1 ASSI { 232} (( segid " " and resid 263 and name HE1 )) (( segid " " and resid 12 and name HG3 )) 3.700 1.700 1.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.42228E-02 ppm1 9.708 ppm2 1.722 CV 1 ASSI { 233} (( segid " " and resid 263 and name HE1 )) (( segid " " and resid 12 and name HG2 )) 3.700 1.700 1.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.28561E-02 ppm1 9.709 ppm2 1.515 CV 1 ASSI { 251} (( segid " " and resid 207 and name HN )) (( segid " " and resid 194 and name HN )) 3.900 1.900 1.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.17079E-02 ppm1 7.821 ppm2 10.101 CV 1 ASSI { 252} (( segid " " and resid 207 and name HN )) (( segid " " and resid 208 and name HN )) 3.300 1.300 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.29964E-02 ppm1 7.819 ppm2 8.361 CV 1 ASSI { 254} (( segid " " and resid 207 and name HN )) (( segid " " and resid 193 and name HA )) 3.700 1.700 1.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.31683E-02 ppm1 7.818 ppm2 5.034 CV 1 ASSI { 256} (( segid " " and resid 207 and name HN )) (( segid " " and resid 261 and name HA )) 4.000 2.000 2.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.15214E-02 ppm1 7.819 ppm2 4.120 CV 1 OR { 256} (( segid " " and resid 207 and name HN )) (( segid " " and resid 192 and name HA2 )) ASSI { 257} (( segid " " and resid 207 and name HN )) (( segid " " and resid 208 and name HA )) 3.100 3.100 2.900 peak 257 spectrum 1 weight 0.10000E+01 volume 0.17518E-01 ppm1 7.819 ppm2 3.959 CV 1 ASSI { 258} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HA )) 2.900 1.000 1.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.73821E-02 ppm1 7.819 ppm2 2.518 CV 1 ASSI { 259} (( segid " " and resid 207 and name HN )) (( segid " " and resid 210 and name HB2 )) 3.900 1.900 1.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.30780E-02 ppm1 7.819 ppm2 1.340 CV 1 ASSI { 260} (( segid " " and resid 207 and name HN )) (( segid " " and resid 206 and name HG2 )) 4.600 2.700 1.400 peak 260 spectrum 1 weight 0.10000E+01 volume 0.14721E-02 ppm1 7.819 ppm2 0.564 CV 1 OR { 260} (( segid " " and resid 207 and name HN )) ( segid " " and resid 210 and name HD1%) ASSI { 262} (( segid " " and resid 207 and name HN )) ( segid " " and resid 207 and name HB% ) 2.500 0.800 0.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.17343E-01 ppm1 7.819 ppm2 -0.387 CV 1 ASSI { 264} (( segid " " and resid 207 and name HN )) (( segid " " and resid 193 and name HE3 )) 4.700 2.700 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 7.817 ppm2 7.562 CV 1 OR { 264} (( segid " " and resid 207 and name HN )) (( segid " " and resid 209 and name HN )) ASSI { 266} (( segid " " and resid 207 and name HN )) (( segid " " and resid 194 and name HB2 )) 4.100 2.100 1.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.11481E-02 ppm1 7.816 ppm2 2.852 CV 1 OR { 266} (( segid " " and resid 207 and name HN )) (( segid " " and resid 194 and name HB3 )) OR { 266} (( segid " " and resid 207 and name HN )) (( segid " " and resid 209 and name HB2 )) ASSI { 267} (( segid " " and resid 207 and name HN )) (( segid " " and resid 210 and name HB3 )) 4.600 2.700 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.21326E-02 ppm1 7.814 ppm2 1.654 CV 1 ASSI { 275} (( segid " " and resid 194 and name HE1 )) (( segid " " and resid 189 and name HN )) 4.000 2.000 2.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.21780E-02 ppm1 10.746 ppm2 7.536 CV 1 ASSI { 277} (( segid " " and resid 194 and name HE1 )) (( segid " " and resid 260 and name HB2 )) 4.600 2.700 1.400 peak 277 spectrum 1 weight 0.10000E+01 volume 0.18818E-02 ppm1 10.748 ppm2 1.706 CV 1 ASSI { 278} (( segid " " and resid 194 and name HE1 )) ( segid " " and resid 260 and name HD2%) 3.200 1.200 1.200 peak 278 spectrum 1 weight 0.10000E+01 volume 0.47682E-02 ppm1 10.748 ppm2 1.111 CV 1 ASSI { 288} (( segid " " and resid 282 and name HN )) (( segid " " and resid 232 and name HN )) 4.200 2.200 1.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.10520E-02 ppm1 8.781 ppm2 9.369 CV 1 ASSI { 289} (( segid " " and resid 282 and name HN )) (( segid " " and resid 281 and name HN )) 4.200 2.200 1.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.16710E-02 ppm1 8.780 ppm2 9.241 CV 1 ASSI { 292} (( segid " " and resid 282 and name HN )) ( segid " " and resid 231 and name HE% ) 2.900 1.100 1.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.51036E-02 ppm1 8.778 ppm2 6.847 CV 1 ASSI { 293} (( segid " " and resid 282 and name HN )) (( segid " " and resid 231 and name HA )) 3.900 1.900 1.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.22218E-02 ppm1 8.779 ppm2 5.074 CV 1 ASSI { 294} (( segid " " and resid 282 and name HN )) (( segid " " and resid 281 and name HA )) 2.100 0.500 0.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.40602E-01 ppm1 8.778 ppm2 4.806 CV 1 ASSI { 296} (( segid " " and resid 282 and name HN )) (( segid " " and resid 282 and name HA )) 2.600 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.11021E-01 ppm1 8.778 ppm2 2.823 CV 1 ASSI { 297} (( segid " " and resid 282 and name HN )) (( segid " " and resid 281 and name HG2 )) 2.800 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.12129E-01 ppm1 8.778 ppm2 2.330 CV 1 OR { 297} (( segid " " and resid 282 and name HN )) (( segid " " and resid 281 and name HG3 )) OR { 297} (( segid " " and resid 282 and name HN )) (( segid " " and resid 281 and name HB3 )) ASSI { 298} (( segid " " and resid 282 and name HN )) (( segid " " and resid 281 and name HB2 )) 3.700 1.700 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.66717E-02 ppm1 8.778 ppm2 1.925 CV 1 OR { 298} (( segid " " and resid 282 and name HN )) (( segid " " and resid 285 and name HB2 )) ASSI { 299} (( segid " " and resid 282 and name HN )) (( segid " " and resid 282 and name HB2 )) 2.900 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.16380E-01 ppm1 8.778 ppm2 1.358 CV 1 ASSI { 303} (( segid " " and resid 282 and name HN )) (( segid " " and resid 283 and name HN )) 4.300 2.300 1.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.24514E-02 ppm1 8.776 ppm2 7.901 CV 1 ASSI { 304} (( segid " " and resid 282 and name HN )) (( segid " " and resid 282 and name HB3 )) 2.300 0.700 0.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.17436E-01 ppm1 8.777 ppm2 1.531 CV 1 ASSI { 305} (( segid " " and resid 282 and name HN )) (( segid " " and resid 282 and name HG2 )) 3.100 1.200 1.200 peak 305 spectrum 1 weight 0.10000E+01 volume 0.10354E-01 ppm1 8.777 ppm2 1.107 CV 1 OR { 305} (( segid " " and resid 282 and name HN )) (( segid " " and resid 282 and name HG3 )) ASSI { 306} (( segid " " and resid 282 and name HN )) ( segid " " and resid 232 and name HG2%) 4.000 2.000 2.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.18245E-02 ppm1 8.775 ppm2 0.807 CV 1 ASSI { 320} (( segid " " and resid 194 and name HE1 )) (( segid " " and resid 194 and name HD1 )) 2.500 0.800 0.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.13462E-01 ppm1 10.748 ppm2 7.391 CV 1 ASSI { 321} (( segid " " and resid 194 and name HE1 )) (( segid " " and resid 194 and name HZ2 )) 2.800 1.000 1.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.85549E-02 ppm1 10.748 ppm2 7.237 CV 1 ASSI { 322} (( segid " " and resid 194 and name HE1 )) (( segid " " and resid 194 and name HH2 )) 4.500 2.600 1.500 peak 322 spectrum 1 weight 0.10000E+01 volume 0.15355E-02 ppm1 10.748 ppm2 6.960 CV 1 ASSI { 323} (( segid " " and resid 194 and name HE1 )) (( segid " " and resid 194 and name HA )) 4.300 2.300 1.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.21532E-02 ppm1 10.747 ppm2 5.897 CV 1 ASSI { 326} (( segid " " and resid 194 and name HE1 )) (( segid " " and resid 188 and name HB3 )) 3.300 1.300 1.300 peak 326 spectrum 1 weight 0.10000E+01 volume 0.20940E-02 ppm1 10.746 ppm2 1.418 CV 1 ASSI { 327} (( segid " " and resid 194 and name HE1 )) (( segid " " and resid 188 and name HD2 )) 3.500 1.500 1.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.21470E-02 ppm1 10.746 ppm2 0.885 CV 1 OR { 327} (( segid " " and resid 194 and name HE1 )) ( segid " " and resid 185 and name HG2%) ASSI { 328} (( segid " " and resid 194 and name HE1 )) (( segid " " and resid 188 and name HG3 )) 4.900 3.000 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.11249E-02 ppm1 10.747 ppm2 0.453 CV 1 ASSI { 329} (( segid " " and resid 194 and name HE1 )) ( segid " " and resid 207 and name HB% ) 3.000 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.58116E-02 ppm1 10.747 ppm2 -0.386 CV 1 ASSI { 330} (( segid " " and resid 194 and name HE1 )) (( segid " " and resid 188 and name HG2 )) 4.000 2.000 2.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.15840E-02 ppm1 10.746 ppm2 -1.301 CV 1 ASSI { 372} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 262 and name HA2 )) 4.800 2.900 1.200 peak 372 spectrum 1 weight 0.10000E+01 volume 0.11463E-02 ppm1 10.021 ppm2 3.901 CV 1 ASSI { 374} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 258 and name HG2 )) 4.600 2.600 1.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 10.020 ppm2 -1.474 CV 1 ASSI { 379} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 262 and name HN )) 3.500 1.500 1.500 peak 379 spectrum 1 weight 0.10000E+01 volume 0.24302E-02 ppm1 10.013 ppm2 7.693 CV 1 ASSI { 380} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 264 and name HZ2 )) 2.700 0.900 0.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.11509E-01 ppm1 10.016 ppm2 7.353 CV 1 ASSI { 381} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 264 and name HD1 )) 2.400 0.700 0.700 peak 381 spectrum 1 weight 0.10000E+01 volume 0.19361E-01 ppm1 10.016 ppm2 7.157 CV 1 ASSI { 382} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 259 and name HN )) 3.100 1.200 1.200 peak 382 spectrum 1 weight 0.10000E+01 volume 0.37446E-02 ppm1 10.015 ppm2 6.326 CV 1 ASSI { 383} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 264 and name HA )) 4.500 2.500 1.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.31599E-02 ppm1 10.015 ppm2 5.152 CV 1 ASSI { 385} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 260 and name HA )) 3.500 1.500 1.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.23695E-02 ppm1 10.017 ppm2 4.225 CV 1 ASSI { 386} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 190 and name HG2 )) 4.800 2.900 1.200 peak 386 spectrum 1 weight 0.10000E+01 volume 0.10669E-02 ppm1 10.013 ppm2 2.463 CV 1 OR { 386} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 258 and name HE2 )) ASSI { 387} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 258 and name HA )) 3.600 1.600 1.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.46619E-02 ppm1 10.016 ppm2 2.134 CV 1 ASSI { 388} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 277 and name HB3 )) 3.700 1.700 1.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.22824E-02 ppm1 10.016 ppm2 1.525 CV 1 ASSI { 389} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 258 and name HB3 )) 3.000 1.100 1.100 peak 389 spectrum 1 weight 0.10000E+01 volume 0.53625E-02 ppm1 10.017 ppm2 1.142 CV 1 OR { 389} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 277 and name HB2 )) ASSI { 390} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 258 and name HB2 )) 3.900 1.900 1.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.36957E-02 ppm1 10.017 ppm2 0.838 CV 1 ASSI { 391} (( segid " " and resid 264 and name HE1 )) ( segid " " and resid 280 and name HD2%) 3.700 1.700 1.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.11396E-02 ppm1 10.015 ppm2 0.559 CV 1 OR { 391} (( segid " " and resid 264 and name HE1 )) ( segid " " and resid 280 and name HD1%) OR { 391} (( segid " " and resid 264 and name HE1 )) ( segid " " and resid 259 and name HD2%) ASSI { 392} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 258 and name HG3 )) 4.700 2.800 1.300 peak 392 spectrum 1 weight 0.10000E+01 volume 0.14355E-02 ppm1 10.014 ppm2 0.303 CV 1 ASSI { 404} (( segid " " and resid 186 and name HN )) (( segid " " and resid 185 and name HN )) 4.600 2.700 1.400 peak 404 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 8.969 ppm2 8.725 CV 1 OR { 404} (( segid " " and resid 186 and name HN )) (( segid " " and resid 188 and name HN )) ASSI { 405} (( segid " " and resid 186 and name HN )) (( segid " " and resid 197 and name HN )) 4.000 2.000 2.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 8.961 ppm2 9.096 CV 1 ASSI { 406} (( segid " " and resid 186 and name HN )) (( segid " " and resid 187 and name HN )) 2.600 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.75443E-02 ppm1 8.962 ppm2 7.889 CV 1 ASSI { 407} (( segid " " and resid 186 and name HN )) (( segid " " and resid 185 and name HA )) 2.400 0.700 0.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.12393E-01 ppm1 8.963 ppm2 4.201 CV 1 ASSI { 408} (( segid " " and resid 186 and name HN )) (( segid " " and resid 186 and name HA )) 2.900 1.100 1.100 peak 408 spectrum 1 weight 0.10000E+01 volume 0.48820E-02 ppm1 8.964 ppm2 3.963 CV 1 ASSI { 409} (( segid " " and resid 186 and name HN )) (( segid " " and resid 185 and name HB )) 3.000 1.200 1.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.75678E-02 ppm1 8.962 ppm2 1.908 CV 1 OR { 409} (( segid " " and resid 186 and name HN )) (( segid " " and resid 186 and name HB )) ASSI { 410} (( segid " " and resid 186 and name HN )) ( segid " " and resid 185 and name HG2%) 3.500 1.600 1.600 peak 410 spectrum 1 weight 0.10000E+01 volume 0.45000E-02 ppm1 8.965 ppm2 0.880 CV 1 OR { 410} (( segid " " and resid 186 and name HN )) ( segid " " and resid 158 and name HD2%) ASSI { 411} (( segid " " and resid 186 and name HN )) ( segid " " and resid 186 and name HG1%) 2.700 0.900 0.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.88481E-02 ppm1 8.963 ppm2 0.723 CV 1 ASSI { 412} (( segid " " and resid 186 and name HN )) ( segid " " and resid 185 and name HG1%) 3.600 1.600 1.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.49855E-02 ppm1 8.963 ppm2 0.352 CV 1 ASSI { 425} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HA )) 2.600 0.900 0.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.84379E-02 ppm1 7.590 ppm2 4.288 CV 1 ASSI { 426} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HB3 )) 4.000 2.000 2.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.34922E-02 ppm1 7.591 ppm2 2.658 CV 1 ASSI { 427} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HG2 )) 3.200 1.300 1.300 peak 427 spectrum 1 weight 0.10000E+01 volume 0.49499E-02 ppm1 7.590 ppm2 2.091 CV 1 ASSI { 428} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HB2 )) 3.000 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.13316E-01 ppm1 7.590 ppm2 1.601 CV 1 ASSI { 429} (( segid " " and resid 168 and name HN )) ( segid " " and resid 176 and name HB% ) 4.800 2.900 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.14606E-02 ppm1 7.594 ppm2 1.427 CV 1 ASSI { 430} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HN )) 4.000 2.000 2.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.17659E-02 ppm1 7.588 ppm2 9.155 CV 1 ASSI { 432} (( segid " " and resid 168 and name HN )) ( segid " " and resid 167 and name HD% ) 3.100 3.100 2.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.38170E-02 ppm1 7.589 ppm2 6.864 CV 1 ASSI { 433} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HA )) 2.200 0.600 0.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.27197E-01 ppm1 7.589 ppm2 4.712 CV 1 ASSI { 442} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 262 and name HA1 )) 3.600 3.600 2.400 peak 442 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 10.017 ppm2 3.190 CV 1 ASSI { 443} (( segid " " and resid 264 and name HE1 )) (( segid " " and resid 259 and name HB2 )) 4.100 2.100 1.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.12387E-02 ppm1 10.016 ppm2 1.700 CV 1 ASSI { 451} (( segid " " and resid 268 and name HN )) (( segid " " and resid 269 and name HB2 )) 4.500 2.600 1.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 8.986 ppm2 2.898 CV 1 OR { 451} (( segid " " and resid 268 and name HN )) (( segid " " and resid 269 and name HB3 )) ASSI { 452} (( segid " " and resid 268 and name HN )) (( segid " " and resid 267 and name HN )) 4.100 2.100 1.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.14080E-02 ppm1 8.981 ppm2 9.273 CV 1 ASSI { 453} (( segid " " and resid 268 and name HN )) (( segid " " and resid 270 and name HN )) 4.400 2.400 1.600 peak 453 spectrum 1 weight 0.10000E+01 volume 0.17441E-02 ppm1 8.980 ppm2 8.592 CV 1 OR { 453} (( segid " " and resid 268 and name HN )) (( segid " " and resid 273 and name HN )) ASSI { 455} (( segid " " and resid 268 and name HN )) (( segid " " and resid 272 and name HA )) 3.600 1.600 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.69838E-02 ppm1 8.979 ppm2 5.560 CV 1 ASSI { 456} (( segid " " and resid 268 and name HN )) (( segid " " and resid 268 and name HA )) 2.900 1.100 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.68132E-02 ppm1 8.980 ppm2 4.588 CV 1 ASSI { 457} (( segid " " and resid 268 and name HN )) (( segid " " and resid 272 and name HB )) 5.700 4.000 0.300 peak 457 spectrum 1 weight 0.10000E+01 volume 0.99003E-03 ppm1 8.980 ppm2 3.908 CV 1 ASSI { 458} (( segid " " and resid 268 and name HN )) (( segid " " and resid 267 and name HD2 )) 5.400 3.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.12646E-02 ppm1 8.981 ppm2 3.045 CV 1 ASSI { 459} (( segid " " and resid 268 and name HN )) (( segid " " and resid 271 and name HB )) 3.200 1.300 1.300 peak 459 spectrum 1 weight 0.10000E+01 volume 0.34094E-02 ppm1 8.979 ppm2 2.186 CV 1 ASSI { 460} (( segid " " and resid 268 and name HN )) (( segid " " and resid 268 and name HB3 )) 2.600 0.800 0.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.73551E-02 ppm1 8.979 ppm2 1.735 CV 1 ASSI { 461} (( segid " " and resid 268 and name HN )) (( segid " " and resid 268 and name HB2 )) 2.700 0.900 0.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.19044E-01 ppm1 8.979 ppm2 1.427 CV 1 OR { 461} (( segid " " and resid 268 and name HN )) (( segid " " and resid 267 and name HG3 )) OR { 461} (( segid " " and resid 268 and name HN )) (( segid " " and resid 267 and name HG2 )) OR { 461} (( segid " " and resid 268 and name HN )) (( segid " " and resid 268 and name HG3 )) ASSI { 462} (( segid " " and resid 268 and name HN )) (( segid " " and resid 268 and name HG2 )) 4.600 2.700 1.400 peak 462 spectrum 1 weight 0.10000E+01 volume 0.19762E-02 ppm1 8.980 ppm2 1.227 CV 1 ASSI { 463} (( segid " " and resid 268 and name HN )) ( segid " " and resid 271 and name HG2%) 3.900 1.900 1.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.53628E-02 ppm1 8.981 ppm2 1.007 CV 1 ASSI { 464} (( segid " " and resid 268 and name HN )) (( segid " " and resid 269 and name HN )) 4.100 2.100 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.18687E-02 ppm1 8.978 ppm2 9.395 CV 1 ASSI { 466} (( segid " " and resid 268 and name HN )) (( segid " " and resid 267 and name HA )) 2.100 0.500 0.500 peak 466 spectrum 1 weight 0.10000E+01 volume 0.25475E-01 ppm1 8.979 ppm2 5.318 CV 1 ASSI { 467} (( segid " " and resid 268 and name HN )) (( segid " " and resid 253 and name HA )) 5.100 3.300 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.97561E-03 ppm1 8.978 ppm2 4.872 CV 1 ASSI { 468} (( segid " " and resid 268 and name HN )) (( segid " " and resid 271 and name HA )) 4.500 2.500 1.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 8.976 ppm2 4.336 CV 1 ASSI { 469} (( segid " " and resid 268 and name HN )) (( segid " " and resid 268 and name HD3 )) 4.900 3.000 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.15616E-02 ppm1 8.979 ppm2 1.615 CV 1 ASSI { 470} (( segid " " and resid 268 and name HN )) ( segid " " and resid 266 and name HG2%) 3.800 1.800 1.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.16194E-02 ppm1 8.976 ppm2 0.558 CV 1 ASSI { 507} (( segid " " and resid 239 and name HN )) (( segid " " and resid 238 and name HA )) 2.300 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.23318E-01 ppm1 8.645 ppm2 4.270 CV 1 ASSI { 508} (( segid " " and resid 239 and name HN )) (( segid " " and resid 239 and name HA )) 3.000 1.200 1.200 peak 508 spectrum 1 weight 0.10000E+01 volume 0.41834E-02 ppm1 8.646 ppm2 4.135 CV 1 ASSI { 509} (( segid " " and resid 239 and name HN )) (( segid " " and resid 246 and name HB2 )) 4.400 2.400 1.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.21998E-02 ppm1 8.644 ppm2 3.865 CV 1 ASSI { 510} (( segid " " and resid 239 and name HN )) (( segid " " and resid 238 and name HB )) 3.700 1.700 1.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.18811E-02 ppm1 8.649 ppm2 3.614 CV 1 ASSI { 511} (( segid " " and resid 239 and name HN )) ( segid " " and resid 239 and name HB% ) 2.500 0.800 0.800 peak 511 spectrum 1 weight 0.10000E+01 volume 0.18829E-01 ppm1 8.645 ppm2 1.323 CV 1 ASSI { 512} (( segid " " and resid 239 and name HN )) ( segid " " and resid 238 and name HG2%) 3.400 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.98420E-02 ppm1 8.645 ppm2 1.112 CV 1 ASSI { 513} (( segid " " and resid 239 and name HN )) (( segid " " and resid 246 and name HN )) 4.200 2.200 1.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 8.643 ppm2 8.130 CV 1 ASSI { 514} (( segid " " and resid 239 and name HN )) (( segid " " and resid 238 and name HN )) 4.300 2.400 1.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.18245E-02 ppm1 8.643 ppm2 7.448 CV 1 ASSI { 515} (( segid " " and resid 239 and name HN )) (( segid " " and resid 246 and name HA )) 3.100 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.52477E-02 ppm1 8.642 ppm2 5.475 CV 1 ASSI { 516} (( segid " " and resid 239 and name HN )) (( segid " " and resid 244 and name HB3 )) 4.600 2.700 1.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.12114E-02 ppm1 8.641 ppm2 2.452 CV 1 ASSI { 520} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HN )) 3.600 1.700 1.700 peak 520 spectrum 1 weight 0.10000E+01 volume 0.34275E-02 ppm1 8.432 ppm2 8.813 CV 1 ASSI { 525} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 2.500 0.800 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.14457E-01 ppm1 8.432 ppm2 4.487 CV 1 ASSI { 526} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA )) 2.000 0.500 0.500 peak 526 spectrum 1 weight 0.10000E+01 volume 0.63936E-01 ppm1 8.432 ppm2 4.152 CV 1 ASSI { 528} (( segid " " and resid 158 and name HN )) (( segid " " and resid 184 and name HG3 )) 5.000 3.100 1.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.10438E-02 ppm1 8.431 ppm2 2.286 CV 1 ASSI { 529} (( segid " " and resid 158 and name HN )) (( segid " " and resid 184 and name HG2 )) 4.900 3.000 1.100 peak 529 spectrum 1 weight 0.10000E+01 volume 0.13417E-02 ppm1 8.431 ppm2 2.036 CV 1 ASSI { 530} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HB )) 3.400 1.500 1.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.69423E-02 ppm1 8.432 ppm2 1.796 CV 1 ASSI { 531} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG )) 2.400 0.700 0.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.42390E-01 ppm1 8.431 ppm2 1.611 CV 1 OR { 531} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB3 )) ASSI { 532} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HG13)) 2.100 2.100 3.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.13010E-01 ppm1 8.431 ppm2 1.439 CV 1 ASSI { 533} (( segid " " and resid 158 and name HN )) (( segid " " and resid 156 and name HG12)) 3.400 3.400 2.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.25659E-02 ppm1 8.430 ppm2 1.137 CV 1 OR { 533} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HG12)) ASSI { 534} (( segid " " and resid 158 and name HN )) ( segid " " and resid 156 and name HG2%) 2.400 2.400 3.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.25118E-01 ppm1 8.432 ppm2 0.829 CV 1 ASSI { 581} (( segid " " and resid 286 and name HN )) (( segid " " and resid 285 and name HA )) 2.500 0.800 0.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.19658E-01 ppm1 8.057 ppm2 4.336 CV 1 ASSI { 608} (( segid " " and resid 269 and name HN )) (( segid " " and resid 268 and name HG2 )) 4.200 2.200 1.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.37472E-02 ppm1 9.382 ppm2 1.208 CV 1 ASSI { 612} (( segid " " and resid 163 and name HN )) (( segid " " and resid 180 and name HN )) 3.300 1.400 1.400 peak 612 spectrum 1 weight 0.10000E+01 volume 0.51289E-02 ppm1 9.375 ppm2 8.987 CV 1 OR { 612} (( segid " " and resid 269 and name HN )) (( segid " " and resid 268 and name HN )) OR { 612} (( segid " " and resid 163 and name HN )) (( segid " " and resid 164 and name HN )) ASSI { 613} (( segid " " and resid 269 and name HN )) (( segid " " and resid 270 and name HN )) 3.200 1.300 1.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.31969E-02 ppm1 9.381 ppm2 8.602 CV 1 ASSI { 614} (( segid " " and resid 269 and name HN )) (( segid " " and resid 271 and name HN )) 4.100 2.100 1.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.19514E-02 ppm1 9.377 ppm2 8.144 CV 1 ASSI { 616} (( segid " " and resid 269 and name HN )) (( segid " " and resid 268 and name HA )) 2.100 0.500 0.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.38867E-01 ppm1 9.381 ppm2 4.591 CV 1 ASSI { 618} (( segid " " and resid 269 and name HN )) (( segid " " and resid 269 and name HA )) 2.100 0.600 0.600 peak 618 spectrum 1 weight 0.10000E+01 volume 0.45005E-01 ppm1 9.380 ppm2 4.114 CV 1 ASSI { 620} (( segid " " and resid 269 and name HN )) (( segid " " and resid 269 and name HB2 )) 2.800 1.000 1.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.93150E-02 ppm1 9.380 ppm2 2.879 CV 1 ASSI { 621} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HG2 )) 2.900 1.100 1.100 peak 621 spectrum 1 weight 0.10000E+01 volume 0.14894E-01 ppm1 9.378 ppm2 1.441 CV 1 OR { 621} (( segid " " and resid 269 and name HN )) (( segid " " and resid 268 and name HG3 )) OR { 621} (( segid " " and resid 269 and name HN )) (( segid " " and resid 268 and name HB2 )) ASSI { 625} (( segid " " and resid 269 and name HN )) (( segid " " and resid 267 and name HA )) 4.300 2.300 1.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.17780E-02 ppm1 9.373 ppm2 5.353 CV 1 ASSI { 626} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA )) 3.000 1.100 1.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.59051E-02 ppm1 9.369 ppm2 5.189 CV 1 ASSI { 627} (( segid " " and resid 163 and name HN )) (( segid " " and resid 182 and name HA )) 3.400 1.400 1.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.52928E-02 ppm1 9.370 ppm2 4.898 CV 1 OR { 627} (( segid " " and resid 269 and name HN )) (( segid " " and resid 253 and name HA )) ASSI { 628} (( segid " " and resid 163 and name HN )) (( segid " " and resid 177 and name HB2 )) 2.700 2.700 3.300 peak 628 spectrum 1 weight 0.10000E+01 volume 0.18259E-01 ppm1 9.370 ppm2 1.620 CV 1 OR { 628} (( segid " " and resid 163 and name HN )) (( segid " " and resid 210 and name HB3 )) ASSI { 629} (( segid " " and resid 163 and name HN )) ( segid " " and resid 177 and name HD1%) 3.800 1.800 1.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.41538E-02 ppm1 9.371 ppm2 0.986 CV 1 OR { 629} (( segid " " and resid 269 and name HN )) ( segid " " and resid 271 and name HG2%) OR { 629} (( segid " " and resid 163 and name HN )) ( segid " " and resid 179 and name HG2%) ASSI { 630} (( segid " " and resid 163 and name HN )) ( segid " " and resid 164 and name HG2%) 3.600 1.600 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.38428E-02 ppm1 9.371 ppm2 0.798 CV 1 OR { 630} (( segid " " and resid 163 and name HN )) ( segid " " and resid 183 and name HG2%) OR { 630} (( segid " " and resid 163 and name HN )) ( segid " " and resid 183 and name HG1%) ASSI { 631} (( segid " " and resid 163 and name HN )) ( segid " " and resid 210 and name HD2%) 3.400 1.400 1.400 peak 631 spectrum 1 weight 0.10000E+01 volume 0.41075E-02 ppm1 9.371 ppm2 0.632 CV 1 OR { 631} (( segid " " and resid 163 and name HN )) ( segid " " and resid 210 and name HD1%) ASSI { 649} (( segid " " and resid 231 and name HN )) (( segid " " and resid 232 and name HN )) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.24617E-02 ppm1 8.904 ppm2 9.362 CV 1 ASSI { 652} (( segid " " and resid 231 and name HN )) ( segid " " and resid 231 and name HD% ) 3.300 3.300 2.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.41372E-02 ppm1 8.901 ppm2 7.001 CV 1 ASSI { 653} (( segid " " and resid 231 and name HN )) (( segid " " and resid 230 and name HA )) 2.100 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.37175E-01 ppm1 8.900 ppm2 4.978 CV 1 OR { 653} (( segid " " and resid 231 and name HN )) (( segid " " and resid 254 and name HA )) ASSI { 654} (( segid " " and resid 231 and name HN )) (( segid " " and resid 231 and name HB2 )) 2.600 0.800 0.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.97392E-02 ppm1 8.899 ppm2 2.718 CV 1 OR { 654} (( segid " " and resid 231 and name HN )) (( segid " " and resid 231 and name HB3 )) ASSI { 655} (( segid " " and resid 231 and name HN )) (( segid " " and resid 230 and name HB2 )) 3.300 1.400 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.62248E-02 ppm1 8.900 ppm2 2.031 CV 1 OR { 655} (( segid " " and resid 231 and name HN )) (( segid " " and resid 253 and name HB )) OR { 655} (( segid " " and resid 231 and name HN )) (( segid " " and resid 230 and name HG2 )) ASSI { 657} (( segid " " and resid 231 and name HN )) (( segid " " and resid 280 and name HB2 )) 4.400 2.500 1.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.20592E-02 ppm1 8.901 ppm2 1.441 CV 1 OR { 657} (( segid " " and resid 231 and name HN )) ( segid " " and resid 252 and name HB% ) ASSI { 658} (( segid " " and resid 231 and name HN )) ( segid " " and resid 253 and name HG1%) 4.700 2.700 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.12095E-02 ppm1 8.904 ppm2 0.754 CV 1 ASSI { 659} (( segid " " and resid 231 and name HN )) ( segid " " and resid 253 and name HG2%) 3.100 1.200 1.200 peak 659 spectrum 1 weight 0.10000E+01 volume 0.49969E-02 ppm1 8.899 ppm2 0.471 CV 1 ASSI { 660} (( segid " " and resid 231 and name HN )) (( segid " " and resid 255 and name HN )) 4.200 2.200 1.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.10664E-02 ppm1 8.894 ppm2 9.643 CV 1 ASSI { 661} (( segid " " and resid 231 and name HN )) (( segid " " and resid 283 and name HN )) 4.300 2.300 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 8.897 ppm2 7.912 CV 1 ASSI { 663} (( segid " " and resid 231 and name HN )) (( segid " " and resid 230 and name HB3 )) 3.700 1.800 1.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.70103E-02 ppm1 8.898 ppm2 2.246 CV 1 OR { 663} (( segid " " and resid 231 and name HN )) (( segid " " and resid 230 and name HG3 )) ASSI { 678} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 1.900 0.500 0.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.71273E-01 ppm1 8.296 ppm2 4.084 CV 1 ASSI { 681} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HG12)) 3.200 1.300 1.300 peak 681 spectrum 1 weight 0.10000E+01 volume 0.11221E-01 ppm1 8.297 ppm2 1.135 CV 1 OR { 681} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HG12)) ASSI { 682} (( segid " " and resid 157 and name HN )) ( segid " " and resid 156 and name HG2%) 2.500 0.800 0.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.22094E-01 ppm1 8.296 ppm2 0.827 CV 1 ASSI { 745} (( segid " " and resid 233 and name HN )) (( segid " " and resid 232 and name HN )) 4.500 2.500 1.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.15102E-02 ppm1 8.420 ppm2 9.343 CV 1 ASSI { 746} (( segid " " and resid 233 and name HN )) (( segid " " and resid 250 and name HN )) 3.600 1.600 1.600 peak 746 spectrum 1 weight 0.10000E+01 volume 0.45237E-02 ppm1 8.418 ppm2 8.899 CV 1 OR { 746} (( segid " " and resid 233 and name HN )) (( segid " " and resid 253 and name HN )) ASSI { 749} (( segid " " and resid 233 and name HN )) (( segid " " and resid 251 and name HN )) 3.800 1.800 1.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.30060E-02 ppm1 8.418 ppm2 7.603 CV 1 ASSI { 750} (( segid " " and resid 233 and name HN )) (( segid " " and resid 232 and name HA )) 2.100 0.600 0.600 peak 750 spectrum 1 weight 0.10000E+01 volume 0.35594E-01 ppm1 8.418 ppm2 5.119 CV 1 OR { 750} (( segid " " and resid 233 and name HN )) (( segid " " and resid 233 and name HA )) ASSI { 751} (( segid " " and resid 233 and name HN )) (( segid " " and resid 252 and name HA )) 2.900 1.100 1.100 peak 751 spectrum 1 weight 0.10000E+01 volume 0.74381E-02 ppm1 8.419 ppm2 4.984 CV 1 ASSI { 753} (( segid " " and resid 233 and name HN )) (( segid " " and resid 234 and name HB )) 4.600 2.600 1.400 peak 753 spectrum 1 weight 0.10000E+01 volume 0.24336E-02 ppm1 8.418 ppm2 2.063 CV 1 OR { 753} (( segid " " and resid 233 and name HN )) (( segid " " and resid 251 and name HG2 )) ASSI { 754} (( segid " " and resid 233 and name HN )) (( segid " " and resid 232 and name HB )) 3.100 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.89200E-02 ppm1 8.419 ppm2 1.758 CV 1 ASSI { 755} (( segid " " and resid 233 and name HN )) ( segid " " and resid 233 and name HB% ) 2.200 0.600 0.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.22069E-01 ppm1 8.419 ppm2 1.414 CV 1 ASSI { 756} (( segid " " and resid 233 and name HN )) ( segid " " and resid 232 and name HG1%) 2.600 0.900 1.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.11830E-01 ppm1 8.418 ppm2 0.770 CV 1 ASSI { 757} (( segid " " and resid 233 and name HN )) ( segid " " and resid 247 and name HD2%) 4.400 2.500 1.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.13584E-02 ppm1 8.421 ppm2 0.627 CV 1 ASSI { 758} (( segid " " and resid 233 and name HN )) ( segid " " and resid 253 and name HG2%) 3.300 1.400 1.400 peak 758 spectrum 1 weight 0.10000E+01 volume 0.47375E-02 ppm1 8.417 ppm2 0.477 CV 1 ASSI { 760} (( segid " " and resid 233 and name HN )) (( segid " " and resid 251 and name HA )) 4.300 2.300 1.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.11887E-02 ppm1 8.414 ppm2 4.136 CV 1 ASSI { 761} (( segid " " and resid 233 and name HN )) (( segid " " and resid 250 and name HA1 )) 4.000 2.000 2.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.11984E-02 ppm1 8.413 ppm2 3.572 CV 1 ASSI { 762} (( segid " " and resid 233 and name HN )) ( segid " " and resid 247 and name HD1%) 4.300 2.400 1.700 peak 762 spectrum 1 weight 0.10000E+01 volume 0.19875E-02 ppm1 8.415 ppm2 -0.334 CV 1 ASSI { 783} (( segid " " and resid 252 and name HN )) (( segid " " and resid 253 and name HN )) 4.200 2.200 1.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.33770E-02 ppm1 8.338 ppm2 8.891 CV 1 ASSI { 786} (( segid " " and resid 252 and name HN )) (( segid " " and resid 251 and name HN )) 3.900 1.900 1.900 peak 786 spectrum 1 weight 0.10000E+01 volume 0.34639E-02 ppm1 8.340 ppm2 7.608 CV 1 ASSI { 787} (( segid " " and resid 252 and name HN )) (( segid " " and resid 232 and name HA )) 3.900 1.900 1.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.44413E-02 ppm1 8.337 ppm2 5.129 CV 1 ASSI { 788} (( segid " " and resid 252 and name HN )) (( segid " " and resid 252 and name HA )) 2.800 1.000 1.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.91513E-02 ppm1 8.340 ppm2 4.985 CV 1 ASSI { 789} (( segid " " and resid 252 and name HN )) (( segid " " and resid 251 and name HA )) 2.100 0.500 0.500 peak 789 spectrum 1 weight 0.10000E+01 volume 0.48293E-01 ppm1 8.339 ppm2 4.132 CV 1 ASSI { 790} (( segid " " and resid 252 and name HN )) (( segid " " and resid 268 and name HE2 )) 4.600 2.600 1.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 8.340 ppm2 2.926 CV 1 OR { 790} (( segid " " and resid 252 and name HN )) (( segid " " and resid 268 and name HE3 )) ASSI { 791} (( segid " " and resid 252 and name HN )) (( segid " " and resid 251 and name HG3 )) 4.300 2.300 1.700 peak 791 spectrum 1 weight 0.10000E+01 volume 0.31792E-02 ppm1 8.340 ppm2 2.403 CV 1 ASSI { 792} (( segid " " and resid 252 and name HN )) (( segid " " and resid 251 and name HG2 )) 3.500 1.600 1.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.97015E-02 ppm1 8.339 ppm2 2.064 CV 1 ASSI { 793} (( segid " " and resid 252 and name HN )) (( segid " " and resid 251 and name HB2 )) 3.400 1.400 1.400 peak 793 spectrum 1 weight 0.10000E+01 volume 0.80661E-02 ppm1 8.339 ppm2 1.821 CV 1 ASSI { 794} (( segid " " and resid 252 and name HN )) ( segid " " and resid 252 and name HB% ) 2.300 0.600 0.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.35174E-01 ppm1 8.339 ppm2 1.440 CV 1 ASSI { 795} (( segid " " and resid 252 and name HN )) ( segid " " and resid 232 and name HG1%) 3.500 1.500 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.44645E-02 ppm1 8.339 ppm2 0.767 CV 1 OR { 795} (( segid " " and resid 252 and name HN )) ( segid " " and resid 253 and name HG1%) OR { 795} (( segid " " and resid 252 and name HN )) ( segid " " and resid 232 and name HG2%) ASSI { 796} (( segid " " and resid 252 and name HN )) ( segid " " and resid 253 and name HG2%) 4.400 2.400 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.13640E-02 ppm1 8.341 ppm2 0.467 CV 1 ASSI { 816} (( segid " " and resid 256 and name HN )) (( segid " " and resid 257 and name HN )) 2.700 0.900 0.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.76811E-02 ppm1 8.826 ppm2 7.716 CV 1 ASSI { 817} (( segid " " and resid 256 and name HN )) (( segid " " and resid 266 and name HA )) 2.800 1.000 3.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.52604E-02 ppm1 8.825 ppm2 5.233 CV 1 ASSI { 818} (( segid " " and resid 256 and name HN )) (( segid " " and resid 256 and name HA )) 3.200 1.300 1.300 peak 818 spectrum 1 weight 0.10000E+01 volume 0.29256E-02 ppm1 8.827 ppm2 4.502 CV 1 ASSI { 819} (( segid " " and resid 256 and name HN )) (( segid " " and resid 255 and name HA )) 2.500 0.800 1.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.95354E-02 ppm1 8.826 ppm2 4.037 CV 1 ASSI { 820} (( segid " " and resid 256 and name HN )) (( segid " " and resid 255 and name HB )) 3.900 1.900 1.900 peak 820 spectrum 1 weight 0.10000E+01 volume 0.24765E-02 ppm1 8.828 ppm2 1.802 CV 1 OR { 820} (( segid " " and resid 256 and name HN )) (( segid " " and resid 267 and name HB3 )) ASSI { 821} (( segid " " and resid 256 and name HN )) (( segid " " and resid 266 and name HB )) 4.800 2.900 1.200 peak 821 spectrum 1 weight 0.10000E+01 volume 0.15208E-02 ppm1 8.829 ppm2 1.643 CV 1 OR { 821} (( segid " " and resid 256 and name HN )) (( segid " " and resid 254 and name HB2 )) ASSI { 822} (( segid " " and resid 256 and name HN )) (( segid " " and resid 256 and name HG12)) 2.700 0.900 0.900 peak 822 spectrum 1 weight 0.10000E+01 volume 0.45956E-02 ppm1 8.827 ppm2 1.002 CV 1 ASSI { 823} (( segid " " and resid 256 and name HN )) ( segid " " and resid 255 and name HG1%) 3.900 1.900 1.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.42995E-02 ppm1 8.827 ppm2 0.572 CV 1 OR { 823} (( segid " " and resid 256 and name HN )) ( segid " " and resid 266 and name HG2%) ASSI { 824} (( segid " " and resid 256 and name HN )) (( segid " " and resid 258 and name HG3 )) 3.500 1.500 1.500 peak 824 spectrum 1 weight 0.10000E+01 volume 0.42321E-02 ppm1 8.827 ppm2 0.337 CV 1 ASSI { 826} (( segid " " and resid 256 and name HN )) (( segid " " and resid 257 and name HA )) 4.100 2.100 1.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.17321E-02 ppm1 8.824 ppm2 4.984 CV 1 OR { 826} (( segid " " and resid 256 and name HN )) (( segid " " and resid 254 and name HA )) ASSI { 827} (( segid " " and resid 256 and name HN )) (( segid " " and resid 256 and name HB )) 2.900 1.000 1.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.42572E-02 ppm1 8.824 ppm2 1.496 CV 1 ASSI { 835} (( segid " " and resid 263 and name HN )) (( segid " " and resid 261 and name HN )) 4.000 2.000 2.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.20558E-02 ppm1 8.413 ppm2 7.873 CV 1 ASSI { 836} (( segid " " and resid 263 and name HN )) ( segid " " and resid 259 and name HD1%) 4.200 2.200 1.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.12585E-02 ppm1 8.412 ppm2 1.063 CV 1 ASSI { 855} (( segid " " and resid 263 and name HN )) (( segid " " and resid 192 and name HA2 )) 4.400 2.400 1.600 peak 855 spectrum 1 weight 0.10000E+01 volume 0.24714E-02 ppm1 8.418 ppm2 4.075 CV 1 ASSI { 859} (( segid " " and resid 263 and name HN )) (( segid " " and resid 262 and name HN )) 3.100 1.200 1.200 peak 859 spectrum 1 weight 0.10000E+01 volume 0.65318E-02 ppm1 8.409 ppm2 7.689 CV 1 ASSI { 860} (( segid " " and resid 263 and name HN )) (( segid " " and resid 264 and name HD1 )) 3.700 1.700 1.700 peak 860 spectrum 1 weight 0.10000E+01 volume 0.20310E-02 ppm1 8.411 ppm2 7.164 CV 1 OR { 860} (( segid " " and resid 263 and name HN )) (( segid " " and resid 263 and name HZ2 )) OR { 860} (( segid " " and resid 263 and name HN )) (( segid " " and resid 193 and name HZ2 )) ASSI { 861} (( segid " " and resid 263 and name HN )) (( segid " " and resid 263 and name HD1 )) 3.300 1.300 1.300 peak 861 spectrum 1 weight 0.10000E+01 volume 0.36435E-02 ppm1 8.409 ppm2 6.642 CV 1 ASSI { 863} (( segid " " and resid 263 and name HN )) (( segid " " and resid 263 and name HA )) 3.200 1.300 1.300 peak 863 spectrum 1 weight 0.10000E+01 volume 0.41210E-02 ppm1 8.411 ppm2 4.499 CV 1 ASSI { 864} (( segid " " and resid 263 and name HN )) (( segid " " and resid 262 and name HA2 )) 3.500 1.500 1.500 peak 864 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 8.411 ppm2 3.928 CV 1 ASSI { 865} (( segid " " and resid 263 and name HN )) (( segid " " and resid 262 and name HA1 )) 4.100 2.100 1.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.26152E-02 ppm1 8.412 ppm2 3.218 CV 1 ASSI { 866} (( segid " " and resid 263 and name HN )) (( segid " " and resid 263 and name HB3 )) 3.700 1.700 1.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.70845E-02 ppm1 8.411 ppm2 3.081 CV 1 ASSI { 867} (( segid " " and resid 263 and name HN )) (( segid " " and resid 263 and name HB2 )) 2.900 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.47530E-02 ppm1 8.410 ppm2 2.681 CV 1 ASSI { 877} (( segid " " and resid 238 and name HN )) ( segid " " and resid 237 and name HD% ) 3.000 1.100 1.100 peak 877 spectrum 1 weight 0.10000E+01 volume 0.74964E-02 ppm1 7.451 ppm2 7.288 CV 1 ASSI { 878} (( segid " " and resid 238 and name HN )) ( segid " " and resid 237 and name HE% ) 3.900 1.900 1.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.20564E-02 ppm1 7.450 ppm2 6.950 CV 1 ASSI { 880} (( segid " " and resid 238 and name HN )) (( segid " " and resid 237 and name HA )) 2.200 0.600 0.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.36448E-01 ppm1 7.451 ppm2 4.662 CV 1 ASSI { 881} (( segid " " and resid 238 and name HN )) (( segid " " and resid 238 and name HB )) 2.600 2.600 3.400 peak 881 spectrum 1 weight 0.10000E+01 volume 0.19094E-01 ppm1 7.452 ppm2 3.617 CV 1 ASSI { 882} (( segid " " and resid 238 and name HN )) (( segid " " and resid 237 and name HB3 )) 3.900 1.900 1.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.25153E-02 ppm1 7.452 ppm2 3.187 CV 1 ASSI { 883} (( segid " " and resid 238 and name HN )) ( segid " " and resid 236 and name HB% ) 4.300 2.300 1.700 peak 883 spectrum 1 weight 0.10000E+01 volume 0.17319E-02 ppm1 7.448 ppm2 1.495 CV 1 ASSI { 903} (( segid " " and resid 196 and name HN )) (( segid " " and resid 197 and name HN )) 4.400 2.400 1.600 peak 903 spectrum 1 weight 0.10000E+01 volume 0.13506E-02 ppm1 8.208 ppm2 9.120 CV 1 ASSI { 905} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HB3 )) 3.900 1.900 1.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.24175E-02 ppm1 8.208 ppm2 2.278 CV 1 ASSI { 906} (( segid " " and resid 196 and name HN )) ( segid " " and resid 175 and name HE% ) 3.400 1.400 1.400 peak 906 spectrum 1 weight 0.10000E+01 volume 0.29501E-02 ppm1 8.208 ppm2 1.642 CV 1 ASSI { 908} (( segid " " and resid 196 and name HN )) (( segid " " and resid 205 and name HN )) 4.700 2.800 1.300 peak 908 spectrum 1 weight 0.10000E+01 volume 0.14022E-02 ppm1 8.204 ppm2 9.609 CV 1 ASSI { 909} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HN )) 4.400 2.400 1.600 peak 909 spectrum 1 weight 0.10000E+01 volume 0.12354E-02 ppm1 8.204 ppm2 9.434 CV 1 ASSI { 910} (( segid " " and resid 196 and name HN )) (( segid " " and resid 204 and name HN )) 4.600 2.700 1.400 peak 910 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 8.207 ppm2 8.781 CV 1 OR { 910} (( segid " " and resid 196 and name HN )) (( segid " " and resid 198 and name HN )) ASSI { 913} (( segid " " and resid 196 and name HN )) (( segid " " and resid 203 and name HN )) 3.000 1.100 1.100 peak 913 spectrum 1 weight 0.10000E+01 volume 0.52669E-02 ppm1 8.207 ppm2 7.871 CV 1 ASSI { 914} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HZ )) 3.900 3.900 2.100 peak 914 spectrum 1 weight 0.10000E+01 volume 0.29938E-02 ppm1 8.207 ppm2 5.625 CV 1 ASSI { 915} (( segid " " and resid 196 and name HN )) (( segid " " and resid 204 and name HA )) 2.800 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.10117E-01 ppm1 8.206 ppm2 5.291 CV 1 OR { 915} (( segid " " and resid 196 and name HN )) (( segid " " and resid 196 and name HA )) ASSI { 916} (( segid " " and resid 196 and name HN )) (( segid " " and resid 202 and name HA )) 3.900 1.900 1.900 peak 916 spectrum 1 weight 0.10000E+01 volume 0.26807E-02 ppm1 8.205 ppm2 5.143 CV 1 OR { 916} (( segid " " and resid 196 and name HN )) (( segid " " and resid 197 and name HA )) ASSI { 918} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HA )) 2.200 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.20535E-01 ppm1 8.206 ppm2 4.070 CV 1 ASSI { 919} (( segid " " and resid 196 and name HN )) (( segid " " and resid 196 and name HB3 )) 3.500 1.600 1.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.45370E-02 ppm1 8.206 ppm2 2.603 CV 1 OR { 919} (( segid " " and resid 196 and name HN )) (( segid " " and resid 204 and name HB2 )) ASSI { 921} (( segid " " and resid 196 and name HN )) ( segid " " and resid 198 and name HE% ) 4.000 2.000 2.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.49559E-02 ppm1 8.206 ppm2 2.123 CV 1 ASSI { 922} (( segid " " and resid 196 and name HN )) (( segid " " and resid 185 and name HB )) 4.100 2.100 1.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.22159E-02 ppm1 8.206 ppm2 1.909 CV 1 OR { 922} (( segid " " and resid 196 and name HN )) (( segid " " and resid 186 and name HB )) ASSI { 924} (( segid " " and resid 196 and name HN )) ( segid " " and resid 185 and name HG2%) 4.200 2.200 1.800 peak 924 spectrum 1 weight 0.10000E+01 volume 0.23018E-02 ppm1 8.206 ppm2 0.894 CV 1 OR { 924} (( segid " " and resid 196 and name HN )) ( segid " " and resid 177 and name HD2%) ASSI { 925} (( segid " " and resid 196 and name HN )) ( segid " " and resid 186 and name HG1%) 4.000 2.000 2.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.16085E-02 ppm1 8.206 ppm2 0.739 CV 1 ASSI { 926} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HB2 )) 4.400 2.400 1.600 peak 926 spectrum 1 weight 0.10000E+01 volume 0.25800E-02 ppm1 8.206 ppm2 0.532 CV 1 ASSI { 938} (( segid " " and resid 238 and name HN )) (( segid " " and resid 238 and name HA )) 2.800 1.000 1.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.78869E-02 ppm1 7.452 ppm2 4.271 CV 1 ASSI { 939} (( segid " " and resid 238 and name HN )) (( segid " " and resid 237 and name HB2 )) 4.000 2.000 2.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.34949E-02 ppm1 7.452 ppm2 2.971 CV 1 ASSI { 940} (( segid " " and resid 238 and name HN )) ( segid " " and resid 238 and name HG2%) 3.200 1.300 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.73277E-02 ppm1 7.452 ppm2 1.110 CV 1 OR { 940} (( segid " " and resid 238 and name HN )) ( segid " " and resid 240 and name HG1%) ASSI { 941} (( segid " " and resid 238 and name HN )) (( segid " " and resid 237 and name HN )) 4.100 2.100 1.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.23691E-02 ppm1 7.447 ppm2 8.555 CV 1 ASSI { 961} (( segid " " and resid 188 and name HN )) (( segid " " and resid 187 and name HA )) 2.200 0.600 0.600 peak 961 spectrum 1 weight 0.10000E+01 volume 0.28807E-01 ppm1 8.719 ppm2 4.469 CV 1 ASSI { 962} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HA )) 3.000 1.100 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.40730E-02 ppm1 8.718 ppm2 4.142 CV 1 ASSI { 963} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HE3 )) 3.100 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.76494E-02 ppm1 8.719 ppm2 2.167 CV 1 ASSI { 964} (( segid " " and resid 188 and name HN )) (( segid " " and resid 187 and name HB2 )) 3.900 1.900 1.900 peak 964 spectrum 1 weight 0.10000E+01 volume 0.49131E-02 ppm1 8.720 ppm2 1.858 CV 1 OR { 964} (( segid " " and resid 188 and name HN )) (( segid " " and resid 185 and name HB )) ASSI { 965} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HB3 )) 3.500 1.500 1.500 peak 965 spectrum 1 weight 0.10000E+01 volume 0.79622E-02 ppm1 8.719 ppm2 1.418 CV 1 ASSI { 966} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HD3 )) 3.500 1.500 1.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.67088E-02 ppm1 8.719 ppm2 1.124 CV 1 ASSI { 967} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HD2 )) 4.200 2.200 1.800 peak 967 spectrum 1 weight 0.10000E+01 volume 0.27884E-02 ppm1 8.719 ppm2 0.887 CV 1 OR { 967} (( segid " " and resid 188 and name HN )) ( segid " " and resid 185 and name HG2%) ASSI { 969} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HG2 )) 4.300 2.300 1.700 peak 969 spectrum 1 weight 0.10000E+01 volume 0.30583E-02 ppm1 8.718 ppm2 -1.309 CV 1 ASSI { 972} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 3.000 1.100 1.100 peak 972 spectrum 1 weight 0.10000E+01 volume 0.77310E-02 ppm1 8.566 ppm2 9.193 CV 1 ASSI { 978} (( segid " " and resid 18 and name HN )) (( segid " " and resid 20 and name HN )) 4.300 2.300 1.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.12899E-02 ppm1 8.568 ppm2 7.831 CV 1 ASSI { 982} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 2.100 0.600 0.600 peak 982 spectrum 1 weight 0.10000E+01 volume 0.47679E-01 ppm1 8.565 ppm2 4.227 CV 1 ASSI { 984} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.600 0.800 0.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.18466E-01 ppm1 8.565 ppm2 3.689 CV 1 ASSI { 985} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HD2 )) 4.500 2.600 1.500 peak 985 spectrum 1 weight 0.10000E+01 volume 0.17280E-02 ppm1 8.566 ppm2 2.948 CV 1 ASSI { 986} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HB3 )) 3.300 3.300 2.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.88112E-02 ppm1 8.566 ppm2 1.967 CV 1 ASSI { 987} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.800 1.000 1.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.85104E-02 ppm1 8.565 ppm2 1.774 CV 1 ASSI { 988} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HB% ) 2.200 0.600 0.600 peak 988 spectrum 1 weight 0.10000E+01 volume 0.40535E-01 ppm1 8.565 ppm2 1.298 CV 1 ASSI { 989} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HD2 )) 4.400 2.400 1.600 peak 989 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 8.563 ppm2 2.961 CV 1 ASSI { 1025} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.600 0.800 0.800 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.15983E-01 ppm1 8.436 ppm2 4.589 CV 1 ASSI { 1026} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.200 2.200 3.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.51626E-01 ppm1 8.436 ppm2 4.243 CV 1 ASSI { 1028} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.300 0.600 0.600 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.34118E-01 ppm1 8.436 ppm2 1.711 CV 1 OR { 1028} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 1029} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG3 )) 3.000 1.100 1.100 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.10717E-01 ppm1 8.436 ppm2 1.445 CV 1 OR { 1029} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG2 )) ASSI { 1031} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 3.400 1.500 1.500 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.31185E-02 ppm1 8.435 ppm2 8.208 CV 1 ASSI { 1032} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.200 2.200 1.800 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.11842E-02 ppm1 8.434 ppm2 3.820 CV 1 OR { 1032} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HB3 )) ASSI { 1049} (( segid " " and resid 255 and name HN )) (( segid " " and resid 231 and name HN )) 3.800 1.800 1.800 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.17146E-02 ppm1 9.652 ppm2 8.879 CV 1 ASSI { 1050} (( segid " " and resid 255 and name HN )) (( segid " " and resid 254 and name HN )) 4.200 2.200 1.800 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.12017E-02 ppm1 9.655 ppm2 8.313 CV 1 ASSI { 1052} (( segid " " and resid 255 and name HN )) (( segid " " and resid 254 and name HG3 )) 3.400 1.400 1.400 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.32741E-02 ppm1 9.651 ppm2 2.249 CV 1 OR { 1052} (( segid " " and resid 255 and name HN )) (( segid " " and resid 229 and name HB3 )) ASSI { 1053} (( segid " " and resid 255 and name HN )) (( segid " " and resid 254 and name HG2 )) 3.600 1.600 1.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.43824E-02 ppm1 9.650 ppm2 2.032 CV 1 OR { 1053} (( segid " " and resid 255 and name HN )) (( segid " " and resid 254 and name HB3 )) OR { 1053} (( segid " " and resid 255 and name HN )) (( segid " " and resid 253 and name HB )) ASSI { 1054} (( segid " " and resid 255 and name HN )) ( segid " " and resid 255 and name HG2%) 2.900 1.100 1.100 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.30807E-02 ppm1 9.651 ppm2 0.343 CV 1 ASSI { 1057} (( segid " " and resid 255 and name HN )) (( segid " " and resid 254 and name HA )) 2.200 0.600 0.600 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.21914E-01 ppm1 9.650 ppm2 4.976 CV 1 OR { 1057} (( segid " " and resid 255 and name HN )) (( segid " " and resid 230 and name HA )) ASSI { 1059} (( segid " " and resid 255 and name HN )) (( segid " " and resid 255 and name HA )) 3.100 1.200 1.200 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.24725E-02 ppm1 9.650 ppm2 4.036 CV 1 ASSI { 1060} (( segid " " and resid 255 and name HN )) (( segid " " and resid 228 and name HA1 )) 4.200 2.200 1.800 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.17563E-02 ppm1 9.649 ppm2 3.847 CV 1 OR { 1060} (( segid " " and resid 255 and name HN )) (( segid " " and resid 228 and name HA2 )) ASSI { 1061} (( segid " " and resid 255 and name HN )) (( segid " " and resid 255 and name HB )) 2.900 1.100 1.100 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.12735E-01 ppm1 9.650 ppm2 1.801 CV 1 ASSI { 1062} (( segid " " and resid 255 and name HN )) (( segid " " and resid 254 and name HB2 )) 4.200 2.200 1.800 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.31912E-02 ppm1 9.649 ppm2 1.646 CV 1 ASSI { 1063} (( segid " " and resid 255 and name HN )) ( segid " " and resid 266 and name HD1%) 4.900 3.000 1.100 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.10203E-02 ppm1 9.645 ppm2 0.879 CV 1 OR { 1063} (( segid " " and resid 255 and name HN )) (( segid " " and resid 258 and name HB2 )) ASSI { 1064} (( segid " " and resid 255 and name HN )) ( segid " " and resid 255 and name HG1%) 3.200 1.300 1.300 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.85863E-02 ppm1 9.650 ppm2 0.574 CV 1 OR { 1064} (( segid " " and resid 255 and name HN )) ( segid " " and resid 280 and name HD1%) ASSI { 1077} (( segid " " and resid 277 and name HN )) (( segid " " and resid 264 and name HN )) 3.900 1.900 1.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.20974E-02 ppm1 8.184 ppm2 8.346 CV 1 ASSI { 1080} (( segid " " and resid 277 and name HN )) (( segid " " and resid 278 and name HN )) 3.400 1.500 1.500 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.22795E-02 ppm1 8.185 ppm2 7.893 CV 1 ASSI { 1081} (( segid " " and resid 277 and name HN )) (( segid " " and resid 279 and name HN )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.10538E-02 ppm1 8.186 ppm2 7.145 CV 1 ASSI { 1083} (( segid " " and resid 277 and name HN )) (( segid " " and resid 263 and name HA )) 3.700 1.700 1.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.35219E-02 ppm1 8.183 ppm2 4.500 CV 1 ASSI { 1084} (( segid " " and resid 277 and name HN )) (( segid " " and resid 191 and name HB3 )) 4.500 2.500 1.500 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.13384E-02 ppm1 8.184 ppm2 4.014 CV 1 OR { 1084} (( segid " " and resid 277 and name HN )) (( segid " " and resid 191 and name HB2 )) OR { 1084} (( segid " " and resid 277 and name HN )) (( segid " " and resid 278 and name HA )) ASSI { 1085} (( segid " " and resid 277 and name HN )) (( segid " " and resid 276 and name HA )) 2.500 0.800 0.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.14196E-01 ppm1 8.184 ppm2 3.417 CV 1 ASSI { 1087} (( segid " " and resid 277 and name HN )) (( segid " " and resid 277 and name HA )) 3.000 1.100 1.100 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.47811E-02 ppm1 8.184 ppm2 2.617 CV 1 ASSI { 1088} (( segid " " and resid 277 and name HN )) (( segid " " and resid 277 and name HB3 )) 3.100 1.200 1.200 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.42576E-02 ppm1 8.184 ppm2 1.527 CV 1 ASSI { 1089} (( segid " " and resid 277 and name HN )) (( segid " " and resid 277 and name HB2 )) 3.200 1.300 1.300 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.52233E-02 ppm1 8.184 ppm2 1.149 CV 1 ASSI { 1090} (( segid " " and resid 277 and name HN )) (( segid " " and resid 280 and name HG )) 4.800 2.900 1.200 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.13185E-02 ppm1 8.184 ppm2 0.618 CV 1 OR { 1090} (( segid " " and resid 277 and name HN )) ( segid " " and resid 255 and name HG1%) ASSI { 1091} (( segid " " and resid 277 and name HN )) (( segid " " and resid 276 and name HB3 )) 3.900 1.900 1.900 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.18026E-02 ppm1 8.186 ppm2 0.355 CV 1 ASSI { 1092} (( segid " " and resid 277 and name HN )) (( segid " " and resid 276 and name HB2 )) 4.000 2.000 2.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.26615E-02 ppm1 8.185 ppm2 0.184 CV 1 OR { 1092} (( segid " " and resid 277 and name HN )) (( segid " " and resid 276 and name HG3 )) ASSI { 1102} (( segid " " and resid 194 and name HN )) (( segid " " and resid 204 and name HA )) 4.300 2.300 1.700 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.20262E-02 ppm1 10.114 ppm2 5.292 CV 1 ASSI { 1103} (( segid " " and resid 194 and name HN )) (( segid " " and resid 207 and name HA )) 4.500 2.600 1.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 10.115 ppm2 2.520 CV 1 ASSI { 1106} (( segid " " and resid 194 and name HN )) (( segid " " and resid 205 and name HN )) 2.900 1.100 1.100 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.39362E-02 ppm1 10.109 ppm2 9.605 CV 1 ASSI { 1108} (( segid " " and resid 194 and name HN )) (( segid " " and resid 189 and name HN )) 4.000 2.000 2.000 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.24560E-02 ppm1 10.112 ppm2 7.505 CV 1 ASSI { 1109} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HD1 )) 4.000 2.000 2.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 10.110 ppm2 7.411 CV 1 ASSI { 1110} (( segid " " and resid 194 and name HN )) (( segid " " and resid 204 and name HE3 )) 3.800 1.800 1.800 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.30195E-02 ppm1 10.110 ppm2 7.142 CV 1 ASSI { 1111} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HA )) 3.100 1.200 1.200 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.33815E-02 ppm1 10.112 ppm2 5.890 CV 1 ASSI { 1112} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HA )) 2.300 0.600 0.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.15250E-01 ppm1 10.110 ppm2 5.036 CV 1 ASSI { 1114} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HB3 )) 3.700 1.700 1.700 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.20847E-02 ppm1 10.108 ppm2 3.346 CV 1 ASSI { 1115} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HB2 )) 2.700 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.84610E-02 ppm1 10.109 ppm2 2.884 CV 1 OR { 1115} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HB3 )) ASSI { 1116} (( segid " " and resid 194 and name HN )) ( segid " " and resid 205 and name HD1%) 5.000 3.100 1.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.10718E-02 ppm1 10.109 ppm2 0.943 CV 1 OR { 1116} (( segid " " and resid 194 and name HN )) ( segid " " and resid 177 and name HD2%) ASSI { 1117} (( segid " " and resid 194 and name HN )) ( segid " " and resid 207 and name HB% ) 4.500 2.600 1.500 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 10.111 ppm2 -0.381 CV 1 ASSI { 1118} (( segid " " and resid 194 and name HN )) (( segid " " and resid 195 and name HN )) 4.300 2.300 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.13748E-02 ppm1 10.103 ppm2 9.432 CV 1 ASSI { 1119} (( segid " " and resid 194 and name HN )) (( segid " " and resid 195 and name HA )) 4.800 2.900 1.200 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.12675E-02 ppm1 10.103 ppm2 4.109 CV 1 OR { 1119} (( segid " " and resid 194 and name HN )) (( segid " " and resid 188 and name HA )) ASSI { 1124} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HN )) 4.300 2.300 1.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.17901E-02 ppm1 9.201 ppm2 8.817 CV 1 ASSI { 1126} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HA )) 2.300 0.600 0.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.21665E-01 ppm1 9.201 ppm2 4.642 CV 1 ASSI { 1127} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HA )) 2.300 0.700 0.700 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.25321E-01 ppm1 9.201 ppm2 3.781 CV 1 ASSI { 1128} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HG2 )) 3.600 1.600 1.600 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.28224E-02 ppm1 9.202 ppm2 2.490 CV 1 ASSI { 1129} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HB3 )) 3.200 1.300 1.300 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.58802E-02 ppm1 9.201 ppm2 2.042 CV 1 ASSI { 1130} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HB2 )) 2.900 1.000 1.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.12477E-01 ppm1 9.201 ppm2 1.857 CV 1 OR { 1130} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HB2 )) ASSI { 1131} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HD2 )) 3.900 1.900 1.900 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.23051E-02 ppm1 9.201 ppm2 1.697 CV 1 OR { 1131} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HD3 )) ASSI { 1132} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HG2 )) 3.500 1.500 1.500 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.65307E-02 ppm1 9.202 ppm2 1.457 CV 1 ASSI { 1133} (( segid " " and resid 199 and name HN )) (( segid " " and resid 200 and name HN )) 3.400 1.500 1.500 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.20906E-02 ppm1 9.197 ppm2 8.306 CV 1 ASSI { 1135} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HB3 )) 2.700 0.900 0.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.67033E-02 ppm1 9.199 ppm2 2.275 CV 1 ASSI { 1162} (( segid " " and resid 161 and name HN )) (( segid " " and resid 184 and name HB2 )) 4.700 2.800 1.300 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 9.121 ppm2 1.821 CV 1 OR { 1162} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HB3 )) ASSI { 1166} (( segid " " and resid 161 and name HN )) (( segid " " and resid 185 and name HN )) 4.300 2.300 1.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.15751E-02 ppm1 9.116 ppm2 8.734 CV 1 OR { 1166} (( segid " " and resid 161 and name HN )) (( segid " " and resid 184 and name HN )) ASSI { 1167} (( segid " " and resid 161 and name HN )) ( segid " " and resid 161 and name HD% ) 3.000 3.000 3.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.62685E-02 ppm1 9.115 ppm2 6.795 CV 1 ASSI { 1168} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HA )) 2.100 0.600 0.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.26854E-01 ppm1 9.115 ppm2 5.566 CV 1 ASSI { 1169} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 2.900 1.000 1.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.56685E-02 ppm1 9.113 ppm2 4.982 CV 1 ASSI { 1171} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB )) 3.000 1.100 1.100 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.66354E-02 ppm1 9.115 ppm2 3.979 CV 1 ASSI { 1173} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB3 )) 3.800 1.800 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.39675E-02 ppm1 9.114 ppm2 2.880 CV 1 ASSI { 1174} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB2 )) 2.700 2.700 3.300 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.62088E-02 ppm1 9.115 ppm2 2.615 CV 1 ASSI { 1175} (( segid " " and resid 161 and name HN )) (( segid " " and resid 183 and name HB )) 4.000 2.000 2.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.14798E-02 ppm1 9.116 ppm2 1.952 CV 1 OR { 1175} (( segid " " and resid 161 and name HN )) (( segid " " and resid 182 and name HB )) ASSI { 1176} (( segid " " and resid 161 and name HN )) (( segid " " and resid 213 and name HB3 )) 4.500 2.600 1.500 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.16303E-02 ppm1 9.116 ppm2 1.482 CV 1 OR { 1176} (( segid " " and resid 161 and name HN )) (( segid " " and resid 213 and name HG )) ASSI { 1177} (( segid " " and resid 161 and name HN )) (( segid " " and resid 213 and name HB2 )) 3.800 1.800 1.800 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.13698E-02 ppm1 9.113 ppm2 1.326 CV 1 ASSI { 1178} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HG2%) 3.500 1.500 1.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.57929E-02 ppm1 9.115 ppm2 1.191 CV 1 ASSI { 1179} (( segid " " and resid 161 and name HN )) ( segid " " and resid 183 and name HG2%) 2.900 1.100 1.100 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.88887E-02 ppm1 9.114 ppm2 0.805 CV 1 OR { 1179} (( segid " " and resid 161 and name HN )) ( segid " " and resid 213 and name HD2%) OR { 1179} (( segid " " and resid 161 and name HN )) ( segid " " and resid 183 and name HG1%) ASSI { 1180} (( segid " " and resid 161 and name HN )) ( segid " " and resid 210 and name HD1%) 4.600 2.700 1.400 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.14259E-02 ppm1 9.119 ppm2 0.607 CV 1 ASSI { 1181} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HN )) 4.500 2.500 1.500 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.10894E-02 ppm1 9.109 ppm2 9.560 CV 1 ASSI { 1183} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HN )) 4.500 2.600 1.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.13648E-02 ppm1 9.111 ppm2 8.260 CV 1 ASSI { 1187} (( segid " " and resid 161 and name HN )) ( segid " " and resid 210 and name HD1%) 4.700 2.700 1.300 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.13483E-02 ppm1 9.108 ppm2 0.582 CV 1 ASSI { 1193} (( segid " " and resid 185 and name HN )) (( segid " " and resid 161 and name HN )) 4.000 2.000 2.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.22571E-02 ppm1 8.736 ppm2 9.113 CV 1 OR { 1193} (( segid " " and resid 185 and name HN )) (( segid " " and resid 197 and name HN )) ASSI { 1198} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HA )) 2.100 0.500 0.500 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.27111E-01 ppm1 8.731 ppm2 5.074 CV 1 ASSI { 1201} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HA )) 2.700 0.900 0.900 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.52901E-02 ppm1 8.731 ppm2 4.203 CV 1 ASSI { 1202} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HG3 )) 3.800 1.800 1.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.25112E-02 ppm1 8.734 ppm2 2.298 CV 1 ASSI { 1203} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HB3 )) 3.300 1.400 1.400 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.65459E-02 ppm1 8.731 ppm2 2.026 CV 1 ASSI { 1204} (( segid " " and resid 185 and name HN )) (( segid " " and resid 158 and name HB3 )) 3.600 1.600 1.600 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.22377E-02 ppm1 8.733 ppm2 1.615 CV 1 OR { 1204} (( segid " " and resid 185 and name HN )) (( segid " " and resid 158 and name HG )) ASSI { 1205} (( segid " " and resid 185 and name HN )) ( segid " " and resid 185 and name HG2%) 2.400 0.700 0.700 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.16896E-01 ppm1 8.731 ppm2 0.834 CV 1 ASSI { 1206} (( segid " " and resid 185 and name HN )) ( segid " " and resid 185 and name HG1%) 3.100 1.200 1.200 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.54546E-02 ppm1 8.731 ppm2 0.350 CV 1 ASSI { 1208} (( segid " " and resid 185 and name HN )) (( segid " " and resid 160 and name HA )) 3.400 1.500 1.500 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.48047E-02 ppm1 8.730 ppm2 5.566 CV 1 ASSI { 1209} (( segid " " and resid 185 and name HN )) (( segid " " and resid 159 and name HG2 )) 4.100 2.100 1.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.12484E-02 ppm1 8.730 ppm2 2.471 CV 1 OR { 1209} (( segid " " and resid 185 and name HN )) (( segid " " and resid 159 and name HG3 )) ASSI { 1210} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HB2 )) 3.200 1.200 1.200 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.18059E-01 ppm1 8.731 ppm2 1.840 CV 1 ASSI { 1212} (( segid " " and resid 185 and name HN )) ( segid " " and resid 160 and name HG2%) 4.800 2.900 1.200 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.25516E-02 ppm1 8.728 ppm2 1.192 CV 1 ASSI { 1242} (( segid " " and resid 259 and name HN )) (( segid " " and resid 264 and name HB3 )) 4.500 2.600 1.500 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.14625E-02 ppm1 6.331 ppm2 2.933 CV 1 ASSI { 1243} (( segid " " and resid 259 and name HN )) (( segid " " and resid 259 and name HB2 )) 3.000 1.200 1.200 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.53081E-02 ppm1 6.327 ppm2 1.679 CV 1 ASSI { 1244} (( segid " " and resid 259 and name HN )) (( segid " " and resid 260 and name HN )) 4.100 2.100 1.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.14799E-02 ppm1 6.326 ppm2 8.918 CV 1 ASSI { 1245} (( segid " " and resid 259 and name HN )) (( segid " " and resid 265 and name HN )) 4.300 2.300 1.700 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.23940E-02 ppm1 6.327 ppm2 8.396 CV 1 ASSI { 1246} (( segid " " and resid 259 and name HN )) (( segid " " and resid 264 and name HD1 )) 2.400 0.700 0.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.89930E-02 ppm1 6.326 ppm2 7.155 CV 1 ASSI { 1249} (( segid " " and resid 259 and name HN )) (( segid " " and resid 264 and name HA )) 3.600 1.600 1.600 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.67005E-02 ppm1 6.326 ppm2 5.150 CV 1 ASSI { 1251} (( segid " " and resid 259 and name HN )) (( segid " " and resid 259 and name HA )) 2.700 0.900 0.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.61086E-02 ppm1 6.326 ppm2 4.019 CV 1 ASSI { 1252} (( segid " " and resid 259 and name HN )) (( segid " " and resid 258 and name HA )) 2.300 0.700 0.700 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.14252E-01 ppm1 6.326 ppm2 2.124 CV 1 ASSI { 1254} (( segid " " and resid 259 and name HN )) (( segid " " and resid 259 and name HG )) 2.700 0.900 0.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.11737E-01 ppm1 6.327 ppm2 1.216 CV 1 ASSI { 1255} (( segid " " and resid 259 and name HN )) ( segid " " and resid 259 and name HD1%) 2.800 1.000 1.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.64617E-02 ppm1 6.327 ppm2 1.059 CV 1 ASSI { 1256} (( segid " " and resid 259 and name HN )) (( segid " " and resid 258 and name HB2 )) 4.000 2.000 2.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.30116E-02 ppm1 6.325 ppm2 0.833 CV 1 OR { 1256} (( segid " " and resid 259 and name HN )) ( segid " " and resid 265 and name HG1%) ASSI { 1257} (( segid " " and resid 259 and name HN )) ( segid " " and resid 259 and name HD2%) 3.000 1.100 1.100 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.66131E-02 ppm1 6.326 ppm2 0.559 CV 1 ASSI { 1258} (( segid " " and resid 259 and name HN )) (( segid " " and resid 258 and name HG3 )) 4.500 2.600 1.500 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.18170E-02 ppm1 6.326 ppm2 0.311 CV 1 ASSI { 1259} (( segid " " and resid 259 and name HN )) (( segid " " and resid 258 and name HG2 )) 4.600 2.700 1.400 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.15520E-02 ppm1 6.324 ppm2 -1.477 CV 1 ASSI { 1260} (( segid " " and resid 259 and name HN )) (( segid " " and resid 258 and name HN )) 4.200 2.200 1.800 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.10120E-02 ppm1 6.318 ppm2 8.614 CV 1 ASSI { 1261} (( segid " " and resid 259 and name HN )) (( segid " " and resid 258 and name HE2 )) 5.100 3.300 0.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.10943E-02 ppm1 6.321 ppm2 2.494 CV 1 OR { 1261} (( segid " " and resid 259 and name HN )) (( segid " " and resid 257 and name HB2 )) OR { 1261} (( segid " " and resid 259 and name HN )) (( segid " " and resid 258 and name HE3 )) ASSI { 1266} (( segid " " and resid 185 and name HN )) (( segid " " and resid 187 and name HA )) 3.600 1.600 1.600 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.10692E-02 ppm1 8.726 ppm2 4.442 CV 1 OR { 1266} (( segid " " and resid 185 and name HN )) (( segid " " and resid 159 and name HA )) ASSI { 1292} (( segid " " and resid 181 and name HN )) (( segid " " and resid 178 and name HB3 )) 4.000 2.000 2.000 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.14450E-02 ppm1 8.516 ppm2 3.773 CV 1 ASSI { 1293} (( segid " " and resid 181 and name HN )) ( segid " " and resid 198 and name HE% ) 4.900 3.000 1.100 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 8.517 ppm2 2.126 CV 1 ASSI { 1294} (( segid " " and resid 181 and name HN )) (( segid " " and resid 163 and name HN )) 3.300 1.400 1.400 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.38725E-02 ppm1 8.513 ppm2 9.373 CV 1 ASSI { 1295} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HN )) 2.500 0.800 0.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.12750E-01 ppm1 8.513 ppm2 8.999 CV 1 ASSI { 1299} (( segid " " and resid 181 and name HN )) (( segid " " and resid 179 and name HN )) 3.900 1.900 1.900 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.17717E-02 ppm1 8.511 ppm2 8.235 CV 1 ASSI { 1300} (( segid " " and resid 181 and name HN )) (( segid " " and resid 182 and name HN )) 4.000 2.000 2.000 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.48799E-02 ppm1 8.513 ppm2 8.140 CV 1 ASSI { 1301} (( segid " " and resid 181 and name HN )) (( segid " " and resid 163 and name HA )) 4.700 2.700 1.300 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.15497E-02 ppm1 8.512 ppm2 5.190 CV 1 ASSI { 1302} (( segid " " and resid 181 and name HN )) (( segid " " and resid 177 and name HA )) 4.700 2.700 1.300 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.13253E-02 ppm1 8.515 ppm2 4.901 CV 1 OR { 1302} (( segid " " and resid 181 and name HN )) (( segid " " and resid 182 and name HA )) ASSI { 1303} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HA )) 2.500 0.800 0.800 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.21529E-01 ppm1 8.514 ppm2 4.474 CV 1 OR { 1303} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HA2 )) ASSI { 1304} (( segid " " and resid 181 and name HN )) (( segid " " and resid 164 and name HA )) 3.200 3.200 2.800 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.99852E-03 ppm1 8.513 ppm2 4.331 CV 1 ASSI { 1305} (( segid " " and resid 181 and name HN )) (( segid " " and resid 178 and name HB2 )) 4.300 2.300 1.700 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.16702E-02 ppm1 8.511 ppm2 3.621 CV 1 ASSI { 1306} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HA1 )) 3.400 1.500 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.49883E-02 ppm1 8.514 ppm2 3.446 CV 1 ASSI { 1307} (( segid " " and resid 181 and name HN )) (( segid " " and resid 179 and name HA )) 3.200 1.300 1.300 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.74137E-02 ppm1 8.512 ppm2 3.089 CV 1 ASSI { 1308} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HB2 )) 2.200 2.200 3.800 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.25426E-01 ppm1 8.513 ppm2 2.715 CV 1 ASSI { 1310} (( segid " " and resid 181 and name HN )) (( segid " " and resid 177 and name HG )) 5.200 3.400 0.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.10204E-02 ppm1 8.515 ppm2 1.780 CV 1 ASSI { 1311} (( segid " " and resid 181 and name HN )) ( segid " " and resid 163 and name HB% ) 2.500 0.800 0.800 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.21128E-01 ppm1 8.513 ppm2 1.624 CV 1 ASSI { 1312} (( segid " " and resid 181 and name HN )) ( segid " " and resid 177 and name HD1%) 3.300 1.400 1.400 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.51457E-02 ppm1 8.514 ppm2 0.955 CV 1 OR { 1312} (( segid " " and resid 181 and name HN )) ( segid " " and resid 182 and name HG2%) OR { 1312} (( segid " " and resid 181 and name HN )) ( segid " " and resid 177 and name HD2%) ASSI { 1334} (( segid " " and resid 176 and name HN )) (( segid " " and resid 177 and name HN )) 4.800 2.900 1.200 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.11759E-02 ppm1 8.109 ppm2 8.974 CV 1 ASSI { 1337} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HN )) 4.400 2.400 1.600 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.16301E-02 ppm1 8.108 ppm2 7.587 CV 1 ASSI { 1340} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HA )) 2.000 0.500 0.500 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.43676E-01 ppm1 8.108 ppm2 4.599 CV 1 ASSI { 1341} (( segid " " and resid 176 and name HN )) (( segid " " and resid 168 and name HA )) 5.100 3.300 0.900 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.11855E-02 ppm1 8.108 ppm2 4.324 CV 1 ASSI { 1342} (( segid " " and resid 176 and name HN )) (( segid " " and resid 201 and name HE3 )) 3.800 1.800 1.800 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.17740E-02 ppm1 8.110 ppm2 3.026 CV 1 OR { 1342} (( segid " " and resid 176 and name HN )) (( segid " " and resid 201 and name HE2 )) OR { 1342} (( segid " " and resid 176 and name HN )) (( segid " " and resid 169 and name HE3 )) ASSI { 1343} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HG3 )) 3.100 1.200 1.200 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.45206E-02 ppm1 8.109 ppm2 2.334 CV 1 ASSI { 1344} (( segid " " and resid 176 and name HN )) ( segid " " and resid 198 and name HE% ) 3.500 1.500 1.500 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.54253E-02 ppm1 8.108 ppm2 2.159 CV 1 ASSI { 1345} (( segid " " and resid 176 and name HN )) (( segid " " and resid 169 and name HD2 )) 2.800 1.000 1.000 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.94702E-02 ppm1 8.108 ppm2 1.667 CV 1 OR { 1345} (( segid " " and resid 176 and name HN )) (( segid " " and resid 169 and name HB2 )) OR { 1345} (( segid " " and resid 176 and name HN )) ( segid " " and resid 175 and name HE% ) ASSI { 1346} (( segid " " and resid 176 and name HN )) ( segid " " and resid 176 and name HB% ) 2.200 0.600 0.600 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.34433E-01 ppm1 8.108 ppm2 1.430 CV 1 ASSI { 1347} (( segid " " and resid 176 and name HN )) ( segid " " and resid 205 and name HG2%) 4.200 2.200 1.800 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.13901E-02 ppm1 8.112 ppm2 0.993 CV 1 OR { 1347} (( segid " " and resid 176 and name HN )) ( segid " " and resid 177 and name HD1%) ASSI { 1348} (( segid " " and resid 176 and name HN )) (( segid " " and resid 169 and name HG2 )) 3.500 1.500 1.500 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.32613E-02 ppm1 8.106 ppm2 1.262 CV 1 OR { 1348} (( segid " " and resid 176 and name HN )) (( segid " " and resid 169 and name HG3 )) ASSI { 1349} (( segid " " and resid 176 and name HN )) ( segid " " and resid 177 and name HD1%) 4.300 2.300 1.700 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.13235E-02 ppm1 8.100 ppm2 0.970 CV 1 OR { 1349} (( segid " " and resid 176 and name HN )) ( segid " " and resid 205 and name HD1%) ASSI { 1361} (( segid " " and resid 266 and name HN )) (( segid " " and resid 273 and name HA2 )) 4.300 2.300 1.700 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.12028E-02 ppm1 9.470 ppm2 4.021 CV 1 OR { 1361} (( segid " " and resid 266 and name HN )) (( segid " " and resid 273 and name HA1 )) ASSI { 1362} (( segid " " and resid 266 and name HN )) (( segid " " and resid 272 and name HB )) 4.800 2.900 1.200 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.99567E-03 ppm1 9.470 ppm2 3.892 CV 1 ASSI { 1364} (( segid " " and resid 266 and name HN )) (( segid " " and resid 267 and name HN )) 4.400 2.400 1.600 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.13291E-02 ppm1 9.465 ppm2 9.267 CV 1 ASSI { 1365} (( segid " " and resid 266 and name HN )) (( segid " " and resid 273 and name HN )) 2.900 1.100 1.100 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.49476E-02 ppm1 9.464 ppm2 8.567 CV 1 ASSI { 1366} (( segid " " and resid 266 and name HN )) (( segid " " and resid 265 and name HN )) 4.400 2.400 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 9.464 ppm2 8.400 CV 1 ASSI { 1367} (( segid " " and resid 266 and name HN )) (( segid " " and resid 274 and name HA )) 3.600 1.600 1.600 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.28181E-02 ppm1 9.462 ppm2 5.720 CV 1 ASSI { 1368} (( segid " " and resid 266 and name HN )) (( segid " " and resid 272 and name HA )) 4.500 2.500 1.500 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.16660E-02 ppm1 9.466 ppm2 5.554 CV 1 ASSI { 1369} (( segid " " and resid 266 and name HN )) (( segid " " and resid 266 and name HA )) 3.100 1.200 1.200 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.32124E-02 ppm1 9.463 ppm2 5.242 CV 1 ASSI { 1370} (( segid " " and resid 266 and name HN )) (( segid " " and resid 265 and name HA )) 2.300 0.600 0.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.19094E-01 ppm1 9.464 ppm2 4.296 CV 1 ASSI { 1371} (( segid " " and resid 266 and name HN )) (( segid " " and resid 267 and name HB2 )) 4.700 2.700 1.300 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.11477E-02 ppm1 9.466 ppm2 1.473 CV 1 OR { 1371} (( segid " " and resid 266 and name HN )) (( segid " " and resid 267 and name HG3 )) OR { 1371} (( segid " " and resid 266 and name HN )) (( segid " " and resid 267 and name HG2 )) ASSI { 1372} (( segid " " and resid 266 and name HN )) (( segid " " and resid 266 and name HG13)) 2.800 1.000 1.000 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.57620E-02 ppm1 9.464 ppm2 1.319 CV 1 ASSI { 1373} (( segid " " and resid 266 and name HN )) (( segid " " and resid 256 and name HG12)) 3.000 3.000 3.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.79811E-02 ppm1 9.463 ppm2 1.009 CV 1 ASSI { 1374} (( segid " " and resid 266 and name HN )) ( segid " " and resid 265 and name HG1%) 3.800 1.800 1.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.66544E-02 ppm1 9.463 ppm2 0.844 CV 1 ASSI { 1375} (( segid " " and resid 266 and name HN )) ( segid " " and resid 265 and name HG2%) 2.800 1.000 1.000 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.10024E-01 ppm1 9.464 ppm2 0.723 CV 1 ASSI { 1376} (( segid " " and resid 266 and name HN )) ( segid " " and resid 266 and name HG2%) 4.100 2.100 1.900 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.28535E-02 ppm1 9.464 ppm2 0.531 CV 1 OR { 1376} (( segid " " and resid 266 and name HN )) ( segid " " and resid 280 and name HD1%) ASSI { 1377} (( segid " " and resid 266 and name HN )) (( segid " " and resid 265 and name HB )) 4.400 2.400 1.600 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.19643E-02 ppm1 9.462 ppm2 1.803 CV 1 ASSI { 1378} (( segid " " and resid 266 and name HN )) (( segid " " and resid 266 and name HB )) 3.300 1.400 1.400 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.22749E-02 ppm1 9.462 ppm2 1.641 CV 1 ASSI { 1386} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HG2 )) 4.100 2.100 1.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.31649E-02 ppm1 8.819 ppm2 2.477 CV 1 ASSI { 1387} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HB3 )) 3.700 1.700 1.700 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.64146E-02 ppm1 8.819 ppm2 2.265 CV 1 OR { 1387} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HB3 )) ASSI { 1389} (( segid " " and resid 198 and name HN )) ( segid " " and resid 175 and name HE% ) 3.200 1.300 1.300 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.56516E-02 ppm1 8.819 ppm2 1.641 CV 1 OR { 1389} (( segid " " and resid 198 and name HN )) (( segid " " and resid 202 and name HB3 )) ASSI { 1390} (( segid " " and resid 198 and name HN )) (( segid " " and resid 202 and name HG2 )) 3.400 1.500 1.500 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.40938E-02 ppm1 8.818 ppm2 1.473 CV 1 OR { 1390} (( segid " " and resid 198 and name HN )) (( segid " " and resid 202 and name HG3 )) ASSI { 1391} (( segid " " and resid 198 and name HN )) ( segid " " and resid 186 and name HG1%) 4.800 2.900 1.200 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.16972E-02 ppm1 8.820 ppm2 0.744 CV 1 ASSI { 1392} (( segid " " and resid 198 and name HN )) (( segid " " and resid 183 and name HA )) 4.700 2.800 1.300 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.10030E-02 ppm1 8.817 ppm2 4.957 CV 1 ASSI { 1400} (( segid " " and resid 220 and name HN )) (( segid " " and resid 219 and name HN )) 3.800 1.800 1.800 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.45117E-02 ppm1 8.657 ppm2 8.295 CV 1 ASSI { 1401} (( segid " " and resid 220 and name HN )) (( segid " " and resid 221 and name HN )) 2.700 0.900 1.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.17027E-01 ppm1 8.658 ppm2 8.142 CV 1 ASSI { 1403} (( segid " " and resid 220 and name HN )) (( segid " " and resid 219 and name HA )) 2.000 0.500 0.500 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.54025E-01 ppm1 8.657 ppm2 4.386 CV 1 ASSI { 1404} (( segid " " and resid 220 and name HN )) (( segid " " and resid 219 and name HB )) 3.300 1.300 1.300 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.56942E-02 ppm1 8.658 ppm2 4.245 CV 1 ASSI { 1405} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HB3 )) 3.100 1.200 1.200 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.81498E-02 ppm1 8.657 ppm2 2.130 CV 1 ASSI { 1406} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HB2 )) 2.700 0.900 0.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.17539E-01 ppm1 8.657 ppm2 1.960 CV 1 ASSI { 1407} (( segid " " and resid 220 and name HN )) ( segid " " and resid 219 and name HG2%) 3.500 1.600 1.600 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.50258E-02 ppm1 8.657 ppm2 1.254 CV 1 ASSI { 1408} (( segid " " and resid 220 and name HN )) ( segid " " and resid 260 and name HD1%) 3.700 1.700 1.700 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.17532E-02 ppm1 8.658 ppm2 1.046 CV 1 ASSI { 1409} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HG3 )) 2.800 1.000 1.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.88343E-02 ppm1 8.656 ppm2 2.289 CV 1 OR { 1409} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HG2 )) ASSI { 1435} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HN )) 2.700 0.900 0.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.10872E-01 ppm1 7.967 ppm2 8.420 CV 1 ASSI { 1437} (( segid " " and resid 227 and name HN )) (( segid " " and resid 228 and name HN )) 2.500 0.800 0.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.16010E-01 ppm1 7.968 ppm2 7.239 CV 1 ASSI { 1438} (( segid " " and resid 227 and name HN )) ( segid " " and resid 226 and name HD% ) 4.300 2.300 1.700 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.11603E-02 ppm1 7.972 ppm2 7.033 CV 1 ASSI { 1440} (( segid " " and resid 227 and name HN )) (( segid " " and resid 225 and name HA )) 2.900 1.100 1.100 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.15484E-01 ppm1 7.968 ppm2 4.752 CV 1 ASSI { 1441} (( segid " " and resid 227 and name HN )) (( segid " " and resid 256 and name HA )) 4.700 2.800 1.300 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.13438E-02 ppm1 7.967 ppm2 4.512 CV 1 ASSI { 1442} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HA )) 2.700 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.15848E-01 ppm1 7.968 ppm2 4.204 CV 1 ASSI { 1443} (( segid " " and resid 227 and name HN )) (( segid " " and resid 228 and name HA1 )) 4.400 2.500 1.600 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.24901E-02 ppm1 7.967 ppm2 3.839 CV 1 OR { 1443} (( segid " " and resid 227 and name HN )) (( segid " " and resid 228 and name HA2 )) ASSI { 1444} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HB3 )) 3.400 1.500 1.500 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.31444E-02 ppm1 7.968 ppm2 3.148 CV 1 ASSI { 1446} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HB2 )) 3.500 1.500 1.500 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.45160E-02 ppm1 7.968 ppm2 2.764 CV 1 ASSI { 1448} (( segid " " and resid 227 and name HN )) ( segid " " and resid 227 and name HB% ) 2.200 0.600 0.600 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.42437E-01 ppm1 7.968 ppm2 1.434 CV 1 ASSI { 1450} (( segid " " and resid 227 and name HN )) ( segid " " and resid 256 and name HG2%) 4.400 2.400 1.600 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.15340E-02 ppm1 7.969 ppm2 0.481 CV 1 ASSI { 1453} (( segid " " and resid 227 and name HN )) ( segid " " and resid 256 and name HD1%) 4.800 2.800 1.200 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.11917E-02 ppm1 7.964 ppm2 0.636 CV 1 ASSI { 1467} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HN )) 4.500 2.500 1.500 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.15827E-02 ppm1 9.164 ppm2 7.970 CV 1 ASSI { 1468} (( segid " " and resid 167 and name HN )) (( segid " " and resid 168 and name HN )) 4.200 2.200 1.800 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.15237E-02 ppm1 9.162 ppm2 7.596 CV 1 OR { 1468} (( segid " " and resid 167 and name HN )) (( segid " " and resid 169 and name HN )) ASSI { 1469} (( segid " " and resid 167 and name HN )) (( segid " " and resid 176 and name HA )) 4.600 2.600 1.400 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.15175E-02 ppm1 9.160 ppm2 4.597 CV 1 ASSI { 1470} (( segid " " and resid 167 and name HN )) ( segid " " and resid 176 and name HB% ) 5.000 3.100 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.10612E-02 ppm1 9.165 ppm2 1.433 CV 1 OR { 1470} (( segid " " and resid 167 and name HN )) (( segid " " and resid 206 and name HB2 )) ASSI { 1472} (( segid " " and resid 167 and name HN )) (( segid " " and resid 177 and name HN )) 3.000 1.100 1.100 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.54741E-02 ppm1 9.158 ppm2 8.972 CV 1 ASSI { 1473} (( segid " " and resid 167 and name HN )) (( segid " " and resid 179 and name HN )) 5.000 3.100 1.000 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.11743E-02 ppm1 9.160 ppm2 8.198 CV 1 ASSI { 1474} (( segid " " and resid 167 and name HN )) ( segid " " and resid 167 and name HD% ) 4.600 2.600 1.400 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.17120E-02 ppm1 9.160 ppm2 6.865 CV 1 ASSI { 1475} (( segid " " and resid 167 and name HN )) (( segid " " and resid 178 and name HA )) 3.900 1.900 1.900 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.29423E-02 ppm1 9.159 ppm2 5.251 CV 1 ASSI { 1476} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HA )) 2.300 0.700 0.700 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.20188E-01 ppm1 9.158 ppm2 4.754 CV 1 ASSI { 1477} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB3 )) 3.000 1.100 1.100 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.56462E-02 ppm1 9.158 ppm2 2.670 CV 1 ASSI { 1478} (( segid " " and resid 167 and name HN )) (( segid " " and resid 177 and name HG )) 3.800 1.900 1.900 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.46516E-02 ppm1 9.158 ppm2 1.776 CV 1 ASSI { 1479} (( segid " " and resid 167 and name HN )) (( segid " " and resid 177 and name HB2 )) 3.100 1.200 1.200 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.41798E-02 ppm1 9.158 ppm2 1.582 CV 1 ASSI { 1481} (( segid " " and resid 167 and name HN )) ( segid " " and resid 177 and name HD2%) 4.400 2.400 1.600 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.22130E-02 ppm1 9.153 ppm2 0.906 CV 1 ASSI { 1484} (( segid " " and resid 198 and name HN )) (( segid " " and resid 199 and name HN )) 4.100 2.100 1.900 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.24755E-02 ppm1 8.820 ppm2 9.168 CV 1 ASSI { 1485} (( segid " " and resid 198 and name HN )) (( segid " " and resid 203 and name HN )) 3.700 1.700 1.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.42786E-02 ppm1 8.820 ppm2 7.898 CV 1 OR { 1485} (( segid " " and resid 198 and name HN )) (( segid " " and resid 201 and name HN )) ASSI { 1486} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HA )) 2.100 0.500 0.500 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.30007E-01 ppm1 8.819 ppm2 5.154 CV 1 OR { 1486} (( segid " " and resid 198 and name HN )) (( segid " " and resid 202 and name HA )) ASSI { 1488} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HB2 )) 2.200 0.600 0.600 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.19688E-01 ppm1 8.819 ppm2 1.857 CV 1 ASSI { 1489} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HA )) 2.800 1.000 1.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.69263E-02 ppm1 8.818 ppm2 4.632 CV 1 ASSI { 1494} (( segid " " and resid 220 and name HN )) ( segid " " and resid 260 and name HD1%) 3.800 1.800 1.800 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.15202E-02 ppm1 8.659 ppm2 1.022 CV 1 ASSI { 1501} (( segid " " and resid 264 and name HN )) (( segid " " and resid 264 and name HD1 )) 3.600 1.600 1.600 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.24208E-02 ppm1 8.328 ppm2 7.158 CV 1 ASSI { 1502} (( segid " " and resid 264 and name HN )) (( segid " " and resid 258 and name HA )) 5.000 3.100 1.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.99048E-03 ppm1 8.329 ppm2 2.123 CV 1 ASSI { 1503} (( segid " " and resid 264 and name HN )) (( segid " " and resid 275 and name HN )) 3.100 1.200 1.200 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.41492E-02 ppm1 8.326 ppm2 9.445 CV 1 ASSI { 1505} (( segid " " and resid 264 and name HN )) (( segid " " and resid 263 and name HE3 )) 4.500 2.500 1.500 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.15270E-02 ppm1 8.325 ppm2 6.965 CV 1 ASSI { 1507} (( segid " " and resid 264 and name HN )) (( segid " " and resid 274 and name HA )) 4.600 2.600 1.400 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.15302E-02 ppm1 8.325 ppm2 5.720 CV 1 ASSI { 1508} (( segid " " and resid 264 and name HN )) (( segid " " and resid 264 and name HA )) 3.100 1.200 1.200 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.43561E-02 ppm1 8.325 ppm2 5.149 CV 1 ASSI { 1509} (( segid " " and resid 264 and name HN )) (( segid " " and resid 263 and name HA )) 2.400 0.700 0.700 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.17866E-01 ppm1 8.326 ppm2 4.500 CV 1 ASSI { 1510} (( segid " " and resid 264 and name HN )) (( segid " " and resid 276 and name HA )) 4.000 2.000 2.000 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.33246E-02 ppm1 8.327 ppm2 3.420 CV 1 ASSI { 1511} (( segid " " and resid 264 and name HN )) (( segid " " and resid 263 and name HB3 )) 3.800 1.800 1.800 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.21957E-02 ppm1 8.325 ppm2 3.074 CV 1 OR { 1511} (( segid " " and resid 264 and name HN )) (( segid " " and resid 275 and name HB3 )) ASSI { 1512} (( segid " " and resid 264 and name HN )) (( segid " " and resid 264 and name HB2 )) 2.500 0.800 0.800 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.95815E-02 ppm1 8.327 ppm2 2.872 CV 1 ASSI { 1513} (( segid " " and resid 264 and name HN )) (( segid " " and resid 277 and name HA )) 3.500 1.600 1.600 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.25559E-02 ppm1 8.326 ppm2 2.670 CV 1 ASSI { 1514} (( segid " " and resid 264 and name HN )) (( segid " " and resid 277 and name HB2 )) 4.400 2.400 1.600 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.11138E-02 ppm1 8.327 ppm2 1.146 CV 1 OR { 1514} (( segid " " and resid 264 and name HN )) (( segid " " and resid 258 and name HB3 )) ASSI { 1515} (( segid " " and resid 264 and name HN )) (( segid " " and resid 266 and name HG12)) 4.600 2.700 1.400 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.11219E-02 ppm1 8.326 ppm2 1.071 CV 1 OR { 1515} (( segid " " and resid 264 and name HN )) ( segid " " and resid 259 and name HD1%) ASSI { 1516} (( segid " " and resid 264 and name HN )) ( segid " " and resid 266 and name HD1%) 4.400 2.400 1.600 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.15083E-02 ppm1 8.322 ppm2 0.877 CV 1 OR { 1516} (( segid " " and resid 264 and name HN )) ( segid " " and resid 265 and name HG1%) ASSI { 1517} (( segid " " and resid 264 and name HN )) ( segid " " and resid 255 and name HG1%) 4.500 2.500 1.500 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.18276E-02 ppm1 8.323 ppm2 0.574 CV 1 OR { 1517} (( segid " " and resid 264 and name HN )) ( segid " " and resid 280 and name HD1%) ASSI { 1549} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HD2 )) 4.100 2.100 1.900 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.11552E-02 ppm1 8.540 ppm2 3.521 CV 1 OR { 1549} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HD3 )) ASSI { 1551} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.800 1.000 1.000 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.11988E-01 ppm1 8.532 ppm2 4.438 CV 1 ASSI { 1552} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.100 1.200 1.200 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.59013E-02 ppm1 8.533 ppm2 4.267 CV 1 ASSI { 1553} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HA2 )) 4.600 2.600 1.400 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.98729E-03 ppm1 8.535 ppm2 3.954 CV 1 OR { 1553} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HA1 )) ASSI { 1554} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB2 )) 2.800 1.000 1.000 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.12894E-01 ppm1 8.532 ppm2 1.606 CV 1 OR { 1554} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB3 )) ASSI { 1555} (( segid " " and resid 3 and name HN )) ( segid " " and resid 3 and name HD2%) 4.800 2.800 1.200 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.16597E-02 ppm1 8.530 ppm2 0.836 CV 1 ASSI { 1563} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 3.600 1.600 1.600 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.22464E-02 ppm1 8.225 ppm2 8.455 CV 1 ASSI { 1565} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HN )) 4.600 2.600 1.400 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.10494E-02 ppm1 8.226 ppm2 7.775 CV 1 ASSI { 1566} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 3.000 1.100 1.100 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.54559E-02 ppm1 8.226 ppm2 7.457 CV 1 ASSI { 1568} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.600 0.900 0.900 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.14973E-01 ppm1 8.225 ppm2 4.247 CV 1 ASSI { 1569} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 2.300 2.300 3.700 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.41674E-01 ppm1 8.226 ppm2 4.101 CV 1 ASSI { 1570} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HE3 )) 4.000 2.000 2.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.18366E-02 ppm1 8.226 ppm2 2.974 CV 1 OR { 1570} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HE2 )) ASSI { 1571} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.300 0.700 0.700 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.38226E-01 ppm1 8.226 ppm2 1.700 CV 1 OR { 1571} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) OR { 1571} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HD2 )) ASSI { 1606} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HN )) 3.800 1.800 1.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.25212E-02 ppm1 8.828 ppm2 8.440 CV 1 ASSI { 1607} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HN )) 3.900 1.900 1.900 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.34342E-02 ppm1 8.827 ppm2 8.262 CV 1 ASSI { 1609} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 1.900 0.500 1.500 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.47117E-01 ppm1 8.826 ppm2 4.484 CV 1 ASSI { 1610} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HG2 )) 2.300 0.700 0.700 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.14545E-01 ppm1 8.827 ppm2 2.463 CV 1 OR { 1610} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HG3 )) ASSI { 1611} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 3.000 1.100 1.100 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.16615E-01 ppm1 8.826 ppm2 2.078 CV 1 ASSI { 1612} (( segid " " and resid 159 and name HN )) (( segid " " and resid 156 and name HB )) 3.500 1.500 1.500 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.38206E-02 ppm1 8.825 ppm2 1.822 CV 1 OR { 1612} (( segid " " and resid 159 and name HN )) (( segid " " and resid 184 and name HB2 )) ASSI { 1613} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB3 )) 3.300 1.300 1.300 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.76518E-02 ppm1 8.827 ppm2 1.610 CV 1 OR { 1613} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HG )) ASSI { 1614} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB2 )) 3.300 1.300 1.300 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.95296E-02 ppm1 8.826 ppm2 1.443 CV 1 ASSI { 1615} (( segid " " and resid 159 and name HN )) (( segid " " and resid 188 and name HD3 )) 4.800 2.900 1.200 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.12712E-02 ppm1 8.829 ppm2 1.169 CV 1 OR { 1615} (( segid " " and resid 159 and name HN )) (( segid " " and resid 188 and name HE2 )) OR { 1615} (( segid " " and resid 159 and name HN )) (( segid " " and resid 156 and name HG12)) ASSI { 1616} (( segid " " and resid 159 and name HN )) ( segid " " and resid 156 and name HG2%) 2.900 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.12289E-01 ppm1 8.827 ppm2 0.838 CV 1 OR { 1616} (( segid " " and resid 159 and name HN )) ( segid " " and resid 185 and name HG2%) ASSI { 1617} (( segid " " and resid 159 and name HN )) ( segid " " and resid 185 and name HG1%) 4.600 2.700 1.400 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.13657E-02 ppm1 8.827 ppm2 0.346 CV 1 ASSI { 1622} (( segid " " and resid 240 and name HN )) (( segid " " and resid 241 and name HG2 )) 4.700 2.700 1.300 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.12657E-02 ppm1 8.694 ppm2 2.104 CV 1 ASSI { 1624} (( segid " " and resid 240 and name HN )) (( segid " " and resid 241 and name HN )) 2.500 0.800 0.800 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.90613E-02 ppm1 8.688 ppm2 6.854 CV 1 ASSI { 1626} (( segid " " and resid 240 and name HN )) (( segid " " and resid 239 and name HA )) 2.300 0.600 0.600 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.15417E-01 ppm1 8.688 ppm2 4.166 CV 1 ASSI { 1627} (( segid " " and resid 240 and name HN )) (( segid " " and resid 240 and name HA )) 3.000 1.100 1.100 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.57138E-02 ppm1 8.687 ppm2 4.016 CV 1 ASSI { 1628} (( segid " " and resid 240 and name HN )) (( segid " " and resid 244 and name HB3 )) 3.700 1.800 1.800 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.32857E-02 ppm1 8.687 ppm2 2.449 CV 1 ASSI { 1629} (( segid " " and resid 240 and name HN )) (( segid " " and resid 244 and name HB2 )) 3.200 1.200 1.200 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.87439E-02 ppm1 8.688 ppm2 2.274 CV 1 OR { 1629} (( segid " " and resid 240 and name HN )) (( segid " " and resid 244 and name HG2 )) OR { 1629} (( segid " " and resid 240 and name HN )) (( segid " " and resid 240 and name HB )) ASSI { 1630} (( segid " " and resid 240 and name HN )) ( segid " " and resid 239 and name HB% ) 3.300 1.400 1.400 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.79121E-02 ppm1 8.688 ppm2 1.323 CV 1 ASSI { 1631} (( segid " " and resid 240 and name HN )) ( segid " " and resid 240 and name HG1%) 2.900 1.100 1.100 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.80681E-02 ppm1 8.687 ppm2 1.062 CV 1 ASSI { 1632} (( segid " " and resid 240 and name HN )) ( segid " " and resid 240 and name HG2%) 3.100 1.200 1.200 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.34247E-02 ppm1 8.684 ppm2 0.940 CV 1 ASSI { 1639} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB3 )) 4.500 2.500 1.500 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.18745E-02 ppm1 8.532 ppm2 2.282 CV 1 ASSI { 1664} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HN )) 3.400 1.400 1.400 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.22244E-02 ppm1 8.310 ppm2 9.208 CV 1 ASSI { 1665} (( segid " " and resid 200 and name HN )) (( segid " " and resid 201 and name HA )) 3.600 1.600 1.600 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.35704E-02 ppm1 8.313 ppm2 4.587 CV 1 OR { 1665} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 1666} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.700 0.900 0.900 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.13349E-01 ppm1 8.309 ppm2 4.317 CV 1 OR { 1666} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HA )) ASSI { 1668} (( segid " " and resid 200 and name HN )) (( segid " " and resid 198 and name HB2 )) 2.700 0.900 0.900 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.18041E-01 ppm1 8.308 ppm2 1.849 CV 1 OR { 1668} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB3 )) ASSI { 1669} (( segid " " and resid 200 and name HN )) (( segid " " and resid 201 and name HN )) 2.800 1.000 1.000 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.81684E-02 ppm1 8.305 ppm2 7.909 CV 1 ASSI { 1670} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB3 )) 3.100 1.200 1.200 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.68211E-02 ppm1 8.306 ppm2 3.777 CV 1 OR { 1670} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HA )) ASSI { 1671} (( segid " " and resid 200 and name HN )) (( segid " " and resid 197 and name HG2 )) 2.900 2.900 3.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.12409E-01 ppm1 8.305 ppm2 2.040 CV 1 ASSI { 1672} (( segid " " and resid 200 and name HN )) ( segid " " and resid 200 and name HB% ) 2.600 0.800 0.800 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.18025E-01 ppm1 8.306 ppm2 1.435 CV 1 ASSI { 1673} (( segid " " and resid 271 and name HN )) (( segid " " and resid 269 and name HN )) 4.300 2.300 1.700 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.14207E-02 ppm1 8.143 ppm2 9.381 CV 1 ASSI { 1674} (( segid " " and resid 271 and name HN )) (( segid " " and resid 268 and name HN )) 2.800 1.000 1.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.68157E-02 ppm1 8.141 ppm2 8.980 CV 1 ASSI { 1675} (( segid " " and resid 271 and name HN )) (( segid " " and resid 270 and name HN )) 2.300 0.600 0.600 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.24888E-01 ppm1 8.140 ppm2 8.621 CV 1 ASSI { 1677} (( segid " " and resid 271 and name HN )) (( segid " " and resid 267 and name HA )) 3.600 1.600 1.600 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.23100E-02 ppm1 8.143 ppm2 5.320 CV 1 ASSI { 1678} (( segid " " and resid 271 and name HN )) (( segid " " and resid 270 and name HA )) 2.800 1.000 1.000 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.11430E-01 ppm1 8.141 ppm2 4.535 CV 1 ASSI { 1679} (( segid " " and resid 271 and name HN )) (( segid " " and resid 271 and name HA )) 2.500 0.800 0.800 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.15744E-01 ppm1 8.141 ppm2 4.344 CV 1 ASSI { 1680} (( segid " " and resid 271 and name HN )) (( segid " " and resid 269 and name HB2 )) 2.200 2.200 3.800 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.89341E-02 ppm1 8.140 ppm2 2.870 CV 1 ASSI { 1681} (( segid " " and resid 271 and name HN )) (( segid " " and resid 271 and name HB )) 2.200 0.600 0.600 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.33234E-01 ppm1 8.141 ppm2 2.186 CV 1 ASSI { 1682} (( segid " " and resid 271 and name HN )) (( segid " " and resid 268 and name HB3 )) 3.700 1.700 1.700 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.28770E-02 ppm1 8.140 ppm2 1.738 CV 1 ASSI { 1683} (( segid " " and resid 271 and name HN )) (( segid " " and resid 267 and name HG2 )) 2.800 1.000 1.000 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.70123E-02 ppm1 8.140 ppm2 1.431 CV 1 OR { 1683} (( segid " " and resid 271 and name HN )) (( segid " " and resid 267 and name HG3 )) ASSI { 1685} (( segid " " and resid 271 and name HN )) ( segid " " and resid 245 and name HG1%) 4.100 2.100 1.900 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.12143E-02 ppm1 8.141 ppm2 0.762 CV 1 OR { 1685} (( segid " " and resid 271 and name HN )) ( segid " " and resid 265 and name HG2%) ASSI { 1686} (( segid " " and resid 271 and name HN )) (( segid " " and resid 272 and name HA )) 4.600 2.600 1.400 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.14326E-02 ppm1 8.138 ppm2 5.565 CV 1 ASSI { 1687} (( segid " " and resid 271 and name HN )) (( segid " " and resid 269 and name HA )) 4.100 2.100 1.900 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.33191E-02 ppm1 8.136 ppm2 4.115 CV 1 ! ASSI { 1690} ! (( segid " " and resid 236 and name HN )) ! (( segid " " and resid 235 and name HD3 )) ! 3.700 1.700 1.700 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.22438E-02 ppm1 8.090 ppm2 1.301 CV 1 ASSI { 1696} (( segid " " and resid 236 and name HN )) (( segid " " and resid 235 and name HN )) 3.700 1.700 1.700 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.37705E-02 ppm1 8.083 ppm2 7.489 CV 1 ASSI { 1697} (( segid " " and resid 236 and name HN )) (( segid " " and resid 236 and name HA )) 2.600 0.800 0.800 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.12489E-01 ppm1 8.082 ppm2 4.417 CV 1 ASSI { 1698} (( segid " " and resid 236 and name HN )) (( segid " " and resid 235 and name HA )) 2.100 0.600 0.600 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.40676E-01 ppm1 8.083 ppm2 4.142 CV 1 ASSI { 1699} (( segid " " and resid 236 and name HN )) (( segid " " and resid 249 and name HA )) 3.700 1.700 1.700 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.24992E-02 ppm1 8.080 ppm2 3.255 CV 1 ! ASSI { 1700} ! (( segid " " and resid 236 and name HN )) ! (( segid " " and resid 235 and name HE2 )) ! 4.200 2.200 1.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.15667E-02 ppm1 8.083 ppm2 2.819 CV 1 ! OR { 1700} ! (( segid " " and resid 236 and name HN )) ! (( segid " " and resid 235 and name HE3 )) ASSI { 1701} (( segid " " and resid 236 and name HN )) (( segid " " and resid 249 and name HG3 )) 3.300 1.400 1.400 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.56709E-02 ppm1 8.082 ppm2 1.977 CV 1 OR { 1701} (( segid " " and resid 236 and name HN )) (( segid " " and resid 249 and name HG2 )) ASSI { 1702} (( segid " " and resid 236 and name HN )) (( segid " " and resid 249 and name HB2 )) 3.000 1.200 1.200 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.96037E-02 ppm1 8.082 ppm2 1.799 CV 1 OR { 1702} (( segid " " and resid 236 and name HN )) (( segid " " and resid 249 and name HB3 )) ASSI { 1703} (( segid " " and resid 236 and name HN )) ( segid " " and resid 236 and name HB% ) 2.100 0.600 0.600 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.43824E-01 ppm1 8.082 ppm2 1.485 CV 1 ! ASSI { 1705} ! (( segid " " and resid 236 and name HN )) ! (( segid " " and resid 235 and name HB3 )) ! 3.300 1.400 1.400 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.13203E-01 ppm1 8.081 ppm2 1.025 CV 1 ASSI { 1706} (( segid " " and resid 236 and name HN )) ( segid " " and resid 248 and name HD1%) 3.900 1.900 1.900 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.85744E-02 ppm1 8.082 ppm2 0.890 CV 1 OR { 1706} (( segid " " and resid 236 and name HN )) ( segid " " and resid 234 and name HD1%) OR { 1706} (( segid " " and resid 236 and name HN )) (( segid " " and resid 234 and name HG12)) ASSI { 1707} (( segid " " and resid 236 and name HN )) (( segid " " and resid 237 and name HN )) 4.300 2.300 1.700 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.20703E-02 ppm1 8.078 ppm2 8.542 CV 1 ASSI { 1732} (( segid " " and resid 248 and name HN )) (( segid " " and resid 249 and name HN )) 3.600 1.700 1.700 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.21438E-02 ppm1 9.109 ppm2 8.186 CV 1 ASSI { 1733} (( segid " " and resid 248 and name HN )) (( segid " " and resid 247 and name HA )) 2.000 0.500 0.500 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.22521E-01 ppm1 9.109 ppm2 4.843 CV 1 ASSI { 1734} (( segid " " and resid 248 and name HN )) (( segid " " and resid 248 and name HA )) 2.500 0.800 0.800 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.77558E-02 ppm1 9.108 ppm2 4.439 CV 1 OR { 1734} (( segid " " and resid 248 and name HN )) (( segid " " and resid 236 and name HA )) ASSI { 1735} (( segid " " and resid 248 and name HN )) (( segid " " and resid 251 and name HG3 )) 3.000 1.100 1.100 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.61705E-02 ppm1 9.108 ppm2 2.402 CV 1 ASSI { 1736} (( segid " " and resid 248 and name HN )) (( segid " " and resid 251 and name HG2 )) 2.900 1.000 1.000 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.60011E-02 ppm1 9.108 ppm2 2.068 CV 1 ASSI { 1737} (( segid " " and resid 248 and name HN )) (( segid " " and resid 251 and name HB2 )) 2.100 0.600 0.600 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.31584E-02 ppm1 9.111 ppm2 1.819 CV 1 ASSI { 1738} (( segid " " and resid 248 and name HN )) (( segid " " and resid 247 and name HB3 )) 2.400 0.700 0.700 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.16635E-01 ppm1 9.108 ppm2 1.628 CV 1 OR { 1738} (( segid " " and resid 248 and name HN )) (( segid " " and resid 268 and name HD3 )) ASSI { 1739} (( segid " " and resid 248 and name HN )) (( segid " " and resid 248 and name HB2 )) 2.300 0.700 0.700 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.19798E-01 ppm1 9.108 ppm2 1.494 CV 1 OR { 1739} (( segid " " and resid 248 and name HN )) (( segid " " and resid 248 and name HB3 )) ! ASSI { 1740} ! (( segid " " and resid 248 and name HN )) ! (( segid " " and resid 235 and name HD3 )) ! 2.700 2.700 3.300 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.82933E-02 ppm1 9.109 ppm2 1.275 CV 1 ASSI { 1741} (( segid " " and resid 248 and name HN )) ( segid " " and resid 248 and name HD2%) 2.700 0.900 0.900 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.11396E-01 ppm1 9.108 ppm2 0.839 CV 1 OR { 1741} (( segid " " and resid 248 and name HN )) ( segid " " and resid 248 and name HD1%) ASSI { 1742} (( segid " " and resid 248 and name HN )) ( segid " " and resid 247 and name HD2%) 3.500 1.500 1.500 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.67537E-02 ppm1 9.109 ppm2 0.608 CV 1 ASSI { 1743} (( segid " " and resid 248 and name HN )) ( segid " " and resid 247 and name HD1%) 4.600 2.600 1.400 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.26864E-02 ppm1 9.109 ppm2 -0.334 CV 1 ASSI { 1759} (( segid " " and resid 245 and name HN )) (( segid " " and resid 244 and name HG2 )) 3.400 1.400 1.400 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.34117E-02 ppm1 8.450 ppm2 2.300 CV 1 OR { 1759} (( segid " " and resid 245 and name HN )) (( segid " " and resid 244 and name HB2 )) ASSI { 1780} (( segid " " and resid 221 and name HN )) (( segid " " and resid 220 and name HA )) 2.300 0.600 0.600 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.33497E-01 ppm1 8.142 ppm2 4.386 CV 1 ASSI { 1781} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HB3 )) 4.100 2.100 1.900 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.22452E-02 ppm1 8.143 ppm2 3.805 CV 1 OR { 1781} (( segid " " and resid 221 and name HN )) (( segid " " and resid 222 and name HD3 )) ASSI { 1822} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HN )) 2.300 0.600 0.600 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.17797E-01 ppm1 7.650 ppm2 8.967 CV 1 ASSI { 1825} (( segid " " and resid 165 and name HN )) (( segid " " and resid 210 and name HA )) 4.200 2.200 1.800 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.16067E-02 ppm1 7.650 ppm2 5.383 CV 1 ASSI { 1826} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HA )) 2.800 1.000 1.000 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.11902E-01 ppm1 7.650 ppm2 4.395 CV 1 ASSI { 1827} (( segid " " and resid 165 and name HN )) (( segid " " and resid 209 and name HA )) 3.800 1.800 1.800 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.21336E-02 ppm1 7.653 ppm2 4.174 CV 1 ASSI { 1828} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HB )) 4.000 2.000 2.000 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.27791E-02 ppm1 7.651 ppm2 2.050 CV 1 OR { 1828} (( segid " " and resid 165 and name HN )) (( segid " " and resid 211 and name HB3 )) ASSI { 1829} (( segid " " and resid 165 and name HN )) (( segid " " and resid 177 and name HG )) 3.900 1.900 1.900 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.15718E-02 ppm1 7.650 ppm2 1.787 CV 1 OR { 1829} (( segid " " and resid 165 and name HN )) (( segid " " and resid 177 and name HB3 )) ASSI { 1830} (( segid " " and resid 165 and name HN )) ( segid " " and resid 163 and name HB% ) 2.900 1.100 1.100 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.13233E-01 ppm1 7.650 ppm2 1.626 CV 1 ASSI { 1831} (( segid " " and resid 165 and name HN )) ( segid " " and resid 179 and name HG2%) 3.100 1.200 1.200 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.14135E-01 ppm1 7.651 ppm2 1.029 CV 1 OR { 1831} (( segid " " and resid 165 and name HN )) ( segid " " and resid 177 and name HD1%) ASSI { 1832} (( segid " " and resid 165 and name HN )) ( segid " " and resid 177 and name HD2%) 2.800 1.000 1.000 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.98744E-02 ppm1 7.650 ppm2 0.895 CV 1 ASSI { 1833} (( segid " " and resid 165 and name HN )) ( segid " " and resid 210 and name HD2%) 3.800 1.800 1.800 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.51904E-02 ppm1 7.650 ppm2 0.634 CV 1 ASSI { 1834} (( segid " " and resid 165 and name HN )) (( segid " " and resid 166 and name HN )) 3.900 1.900 1.900 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.32877E-02 ppm1 7.647 ppm2 7.970 CV 1 ASSI { 1839} (( segid " " and resid 165 and name HN )) (( segid " " and resid 163 and name HA )) 3.700 1.700 1.700 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.72080E-02 ppm1 7.650 ppm2 5.187 CV 1 ASSI { 1840} (( segid " " and resid 165 and name HN )) (( segid " " and resid 179 and name HA )) 3.000 1.100 1.100 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.62353E-02 ppm1 7.648 ppm2 3.091 CV 1 ASSI { 1856} (( segid " " and resid 275 and name HN )) (( segid " " and resid 263 and name HA )) 3.900 1.900 1.900 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 9.451 ppm2 4.497 CV 1 ASSI { 1860} (( segid " " and resid 275 and name HN )) (( segid " " and resid 274 and name HN )) 4.500 2.500 1.500 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.11508E-02 ppm1 9.447 ppm2 9.140 CV 1 ASSI { 1861} (( segid " " and resid 275 and name HN )) (( segid " " and resid 264 and name HN )) 3.100 1.200 1.200 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.41344E-02 ppm1 9.445 ppm2 8.326 CV 1 ASSI { 1862} (( segid " " and resid 275 and name HN )) (( segid " " and resid 263 and name HE3 )) 3.500 1.500 1.500 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.34824E-02 ppm1 9.446 ppm2 7.005 CV 1 OR { 1862} (( segid " " and resid 275 and name HN )) ( segid " " and resid 275 and name HD% ) ASSI { 1863} (( segid " " and resid 275 and name HN )) (( segid " " and resid 274 and name HA )) 2.300 0.700 0.700 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.20899E-01 ppm1 9.446 ppm2 5.717 CV 1 ASSI { 1864} (( segid " " and resid 275 and name HN )) (( segid " " and resid 275 and name HA )) 3.000 1.100 1.100 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.41814E-02 ppm1 9.448 ppm2 4.860 CV 1 ASSI { 1865} (( segid " " and resid 275 and name HN )) (( segid " " and resid 265 and name HA )) 4.300 2.300 1.700 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.23623E-02 ppm1 9.448 ppm2 4.295 CV 1 ASSI { 1866} (( segid " " and resid 275 and name HN )) (( segid " " and resid 274 and name HB3 )) 3.000 1.200 1.200 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.41022E-02 ppm1 9.446 ppm2 3.164 CV 1 ASSI { 1867} (( segid " " and resid 275 and name HN )) (( segid " " and resid 275 and name HB3 )) 3.400 1.500 1.500 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.42585E-02 ppm1 9.449 ppm2 3.013 CV 1 ASSI { 1868} (( segid " " and resid 275 and name HN )) (( segid " " and resid 274 and name HB2 )) 4.200 2.200 1.800 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.35237E-02 ppm1 9.445 ppm2 2.716 CV 1 OR { 1868} (( segid " " and resid 275 and name HN )) (( segid " " and resid 263 and name HB2 )) ASSI { 1869} (( segid " " and resid 275 and name HN )) (( segid " " and resid 275 and name HB2 )) 2.800 1.000 1.000 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.54573E-02 ppm1 9.447 ppm2 2.549 CV 1 ASSI { 1872} (( segid " " and resid 275 and name HN )) ( segid " " and resid 266 and name HD1%) 3.800 1.800 1.800 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.28155E-02 ppm1 9.448 ppm2 0.876 CV 1 ASSI { 1873} (( segid " " and resid 275 and name HN )) (( segid " " and resid 276 and name HD2 )) 4.400 2.500 1.600 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.20923E-02 ppm1 9.447 ppm2 0.664 CV 1 ASSI { 1874} (( segid " " and resid 275 and name HN )) ( segid " " and resid 255 and name HG1%) 4.300 2.300 1.700 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.23883E-02 ppm1 9.448 ppm2 0.573 CV 1 OR { 1874} (( segid " " and resid 275 and name HN )) ( segid " " and resid 280 and name HD1%) OR { 1874} (( segid " " and resid 275 and name HN )) ( segid " " and resid 266 and name HG2%) ASSI { 1880} (( segid " " and resid 245 and name HN )) (( segid " " and resid 274 and name HN )) 4.200 2.200 1.800 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.21485E-02 ppm1 8.450 ppm2 9.135 CV 1 ASSI { 1881} (( segid " " and resid 245 and name HN )) (( segid " " and resid 244 and name HN )) 4.500 2.500 1.500 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 8.453 ppm2 7.467 CV 1 ASSI { 1882} (( segid " " and resid 245 and name HN )) ( segid " " and resid 237 and name HE% ) 4.200 2.200 1.800 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.24120E-02 ppm1 8.451 ppm2 6.959 CV 1 OR { 1882} (( segid " " and resid 245 and name HN )) (( segid " " and resid 263 and name HE3 )) ASSI { 1883} (( segid " " and resid 245 and name HN )) (( segid " " and resid 275 and name HA )) 4.300 2.300 1.700 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.18925E-02 ppm1 8.452 ppm2 4.869 CV 1 ASSI { 1885} (( segid " " and resid 245 and name HN )) (( segid " " and resid 274 and name HB2 )) 4.400 2.500 1.600 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.19374E-02 ppm1 8.449 ppm2 2.716 CV 1 OR { 1885} (( segid " " and resid 245 and name HN )) (( segid " " and resid 243 and name HB2 )) ASSI { 1886} (( segid " " and resid 245 and name HN )) ( segid " " and resid 266 and name HG2%) 5.200 3.400 0.800 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.21577E-02 ppm1 8.449 ppm2 0.547 CV 1 ASSI { 1888} (( segid " " and resid 245 and name HN )) (( segid " " and resid 246 and name HN )) 4.200 2.200 1.800 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.16399E-02 ppm1 8.448 ppm2 8.112 CV 1 ASSI { 1889} (( segid " " and resid 245 and name HN )) (( segid " " and resid 244 and name HA )) 2.300 0.700 0.700 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.14976E-01 ppm1 8.448 ppm2 5.403 CV 1 ASSI { 1890} (( segid " " and resid 245 and name HN )) (( segid " " and resid 245 and name HA )) 2.800 1.000 1.000 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.70575E-02 ppm1 8.448 ppm2 4.386 CV 1 ASSI { 1891} (( segid " " and resid 245 and name HN )) (( segid " " and resid 239 and name HA )) 4.400 2.400 1.600 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.14512E-02 ppm1 8.447 ppm2 4.162 CV 1 ASSI { 1892} (( segid " " and resid 245 and name HN )) (( segid " " and resid 273 and name HA2 )) 4.200 2.200 1.800 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.15932E-02 ppm1 8.448 ppm2 3.997 CV 1 OR { 1892} (( segid " " and resid 245 and name HN )) (( segid " " and resid 273 and name HA1 )) ASSI { 1893} (( segid " " and resid 245 and name HN )) (( segid " " and resid 244 and name HB3 )) 2.600 0.800 0.800 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.99500E-02 ppm1 8.448 ppm2 2.449 CV 1 ASSI { 1894} (( segid " " and resid 245 and name HN )) (( segid " " and resid 245 and name HB )) 3.100 1.200 1.200 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.11467E-01 ppm1 8.447 ppm2 1.918 CV 1 ASSI { 1895} (( segid " " and resid 245 and name HN )) ( segid " " and resid 239 and name HB% ) 3.600 1.600 1.600 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.41760E-02 ppm1 8.448 ppm2 1.325 CV 1 OR { 1895} (( segid " " and resid 245 and name HN )) (( segid " " and resid 266 and name HG13)) ASSI { 1900} (( segid " " and resid 7 and name HN )) (( segid " " and resid 204 and name HE1 )) 4.300 2.300 1.700 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.96897E-03 ppm1 8.237 ppm2 9.758 CV 1 ASSI { 1902} (( segid " " and resid 7 and name HN )) (( segid " " and resid 204 and name HZ2 )) 3.700 3.700 2.300 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.22743E-02 ppm1 8.235 ppm2 7.003 CV 1 ASSI { 1904} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.68645E-02 ppm1 8.238 ppm2 4.557 CV 1 ASSI { 1905} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HD2 )) 4.700 2.800 1.300 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.22088E-02 ppm1 8.238 ppm2 3.343 CV 1 ASSI { 1906} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG2 )) 3.400 1.500 1.500 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.33284E-02 ppm1 8.240 ppm2 1.335 CV 1 OR { 1906} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG3 )) OR { 1906} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HD3 )) ASSI { 1909} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB3 )) 3.400 1.400 1.400 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.98957E-02 ppm1 8.233 ppm2 2.239 CV 1 ASSI { 1913} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HA )) 2.000 0.500 0.500 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.76111E-01 ppm1 8.226 ppm2 4.391 CV 1 OR { 1913} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 1914} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 2.700 0.900 0.900 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.12223E-01 ppm1 8.225 ppm2 4.083 CV 1 ASSI { 1915} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HD2 )) 2.800 2.800 3.200 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.20635E-02 ppm1 8.224 ppm2 3.572 CV 1 OR { 1915} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HD3 )) ASSI { 1916} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB )) 2.200 0.600 0.600 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.37500E-01 ppm1 8.227 ppm2 1.774 CV 1 ASSI { 1917} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HG13)) 2.700 0.900 0.900 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.12472E-01 ppm1 8.225 ppm2 1.476 CV 1 ASSI { 1918} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HG12)) 3.500 1.500 1.500 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.11853E-01 ppm1 8.225 ppm2 1.153 CV 1 ASSI { 1919} (( segid " " and resid 156 and name HN )) ( segid " " and resid 156 and name HD1%) 3.200 1.300 1.300 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.12033E-01 ppm1 8.225 ppm2 0.826 CV 1 OR { 1919} (( segid " " and resid 156 and name HN )) ( segid " " and resid 156 and name HG2%) ASSI { 1925} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HB2 )) 3.600 1.600 1.600 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.23513E-02 ppm1 8.140 ppm2 3.650 CV 1 ASSI { 1928} (( segid " " and resid 221 and name HN )) ( segid " " and resid 219 and name HG2%) 3.500 1.600 1.600 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.53778E-02 ppm1 8.141 ppm2 1.255 CV 1 ASSI { 1940} (( segid " " and resid 193 and name HN )) (( segid " " and resid 191 and name HN )) 4.100 2.100 1.900 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.15005E-02 ppm1 7.627 ppm2 8.248 CV 1 ASSI { 1942} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HA )) 3.100 1.200 1.200 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.37051E-02 ppm1 7.623 ppm2 5.035 CV 1 ASSI { 1944} (( segid " " and resid 193 and name HN )) (( segid " " and resid 194 and name HN )) 4.400 2.400 1.600 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.15323E-02 ppm1 7.623 ppm2 10.129 CV 1 OR { 1944} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HE1 )) ASSI { 1945} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HD1 )) 3.500 1.600 1.600 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.33018E-02 ppm1 7.621 ppm2 6.822 CV 1 ASSI { 1946} (( segid " " and resid 193 and name HN )) (( segid " " and resid 189 and name HB3 )) 2.800 1.000 1.000 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.94622E-02 ppm1 7.620 ppm2 4.757 CV 1 ASSI { 1947} (( segid " " and resid 193 and name HN )) (( segid " " and resid 192 and name HA1 )) 3.800 1.900 1.900 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.28466E-02 ppm1 7.617 ppm2 3.544 CV 1 ASSI { 1948} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HB3 )) 3.900 1.900 1.900 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.40182E-02 ppm1 7.620 ppm2 3.347 CV 1 ASSI { 1953} (( segid " " and resid 209 and name HN )) (( segid " " and resid 206 and name HD2 )) 5.000 3.100 1.000 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.11151E-02 ppm1 7.605 ppm2 2.338 CV 1 OR { 1953} (( segid " " and resid 209 and name HN )) (( segid " " and resid 261 and name HB2 )) ASSI { 1954} (( segid " " and resid 209 and name HN )) ( segid " " and resid 207 and name HB% ) 4.400 2.400 1.600 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.17161E-02 ppm1 7.605 ppm2 -0.392 CV 1 ASSI { 1955} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HN )) 3.000 1.100 1.100 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.45808E-02 ppm1 7.599 ppm2 8.365 CV 1 ASSI { 1956} (( segid " " and resid 209 and name HN )) (( segid " " and resid 210 and name HN )) 2.500 0.800 0.800 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.11728E-01 ppm1 7.601 ppm2 7.433 CV 1 ASSI { 1957} (( segid " " and resid 209 and name HN )) ( segid " " and resid 209 and name HD% ) 3.000 3.000 3.000 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.10399E-01 ppm1 7.600 ppm2 7.176 CV 1 ASSI { 1958} (( segid " " and resid 209 and name HN )) (( segid " " and resid 209 and name HA )) 2.900 1.000 1.000 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.74430E-02 ppm1 7.600 ppm2 4.183 CV 1 ASSI { 1959} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HB2 )) 3.800 1.800 1.800 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.13978E-02 ppm1 7.602 ppm2 3.757 CV 1 ASSI { 1960} (( segid " " and resid 209 and name HN )) (( segid " " and resid 209 and name HB3 )) 3.400 1.400 1.400 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.92813E-02 ppm1 7.600 ppm2 3.204 CV 1 ASSI { 1961} (( segid " " and resid 209 and name HN )) (( segid " " and resid 209 and name HB2 )) 2.200 0.600 0.600 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.14042E-01 ppm1 7.602 ppm2 2.816 CV 1 ASSI { 1962} (( segid " " and resid 209 and name HN )) (( segid " " and resid 207 and name HA )) 3.800 1.800 1.800 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.19359E-02 ppm1 7.600 ppm2 2.520 CV 1 ASSI { 1963} (( segid " " and resid 209 and name HN )) (( segid " " and resid 210 and name HB3 )) 4.200 2.200 1.800 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.56911E-02 ppm1 7.600 ppm2 1.650 CV 1 ASSI { 1964} (( segid " " and resid 209 and name HN )) (( segid " " and resid 210 and name HB2 )) 3.700 1.700 1.700 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.53629E-02 ppm1 7.599 ppm2 1.335 CV 1 ASSI { 1965} (( segid " " and resid 209 and name HN )) ( segid " " and resid 177 and name HD2%) 4.200 2.200 1.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.29359E-02 ppm1 7.599 ppm2 0.886 CV 1 ASSI { 1966} (( segid " " and resid 209 and name HN )) ( segid " " and resid 210 and name HD1%) 4.600 2.600 1.400 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.30900E-02 ppm1 7.600 ppm2 0.612 CV 1 ASSI { 1969} (( segid " " and resid 235 and name HN )) (( segid " " and resid 250 and name HN )) 3.700 1.700 1.700 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.14641E-02 ppm1 7.484 ppm2 8.860 CV 1 ASSI { 1970} (( segid " " and resid 235 and name HN )) (( segid " " and resid 249 and name HN )) 4.400 2.500 1.600 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.13318E-02 ppm1 7.482 ppm2 8.193 CV 1 ASSI { 1978} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HN )) 4.800 2.900 1.200 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.10809E-02 ppm1 7.340 ppm2 7.550 CV 1 ASSI { 1981} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HG2 )) 5.000 3.100 1.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 7.337 ppm2 1.895 CV 1 ASSI { 1982} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HN )) 3.900 1.900 1.900 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.12613E-02 ppm1 7.332 ppm2 7.964 CV 1 ASSI { 1985} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HB3 )) 4.700 2.700 1.300 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 7.326 ppm2 2.631 CV 1 ASSI { 1992} (( segid " " and resid 275 and name HN )) (( segid " " and resid 264 and name HB2 )) 3.900 1.900 1.900 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.15151E-02 ppm1 9.446 ppm2 2.883 CV 1 ASSI { 1993} (( segid " " and resid 275 and name HN )) (( segid " " and resid 276 and name HD3 )) 4.500 2.500 1.500 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.12231E-02 ppm1 9.440 ppm2 2.183 CV 1 ASSI { 1998} (( segid " " and resid 247 and name HN )) (( segid " " and resid 248 and name HN )) 3.800 1.800 1.800 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.24823E-02 ppm1 8.760 ppm2 9.113 CV 1 ASSI { 1999} (( segid " " and resid 247 and name HN )) (( segid " " and resid 237 and name HN )) 2.900 1.100 1.100 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.67936E-02 ppm1 8.761 ppm2 8.540 CV 1 ASSI { 2000} (( segid " " and resid 247 and name HN )) (( segid " " and resid 246 and name HN )) 4.100 2.100 1.900 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.21626E-02 ppm1 8.760 ppm2 8.131 CV 1 ASSI { 2001} (( segid " " and resid 247 and name HN )) ( segid " " and resid 237 and name HD% ) 3.900 1.900 1.900 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.28407E-02 ppm1 8.764 ppm2 7.301 CV 1 ASSI { 2003} (( segid " " and resid 247 and name HN )) (( segid " " and resid 246 and name HA )) 2.200 0.600 0.600 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.27344E-01 ppm1 8.760 ppm2 5.466 CV 1 ASSI { 2004} (( segid " " and resid 247 and name HN )) (( segid " " and resid 247 and name HA )) 2.700 0.900 0.900 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.69279E-02 ppm1 8.759 ppm2 4.832 CV 1 ASSI { 2005} (( segid " " and resid 247 and name HN )) (( segid " " and resid 236 and name HA )) 3.900 1.900 1.900 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.31923E-02 ppm1 8.761 ppm2 4.416 CV 1 OR { 2005} (( segid " " and resid 247 and name HN )) (( segid " " and resid 245 and name HA )) ASSI { 2006} (( segid " " and resid 247 and name HN )) (( segid " " and resid 238 and name HA )) 3.300 1.400 1.400 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.35395E-02 ppm1 8.760 ppm2 4.270 CV 1 ASSI { 2007} (( segid " " and resid 247 and name HN )) (( segid " " and resid 246 and name HB3 )) 3.500 1.600 1.600 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.66824E-02 ppm1 8.760 ppm2 4.065 CV 1 OR { 2007} (( segid " " and resid 204 and name HN )) (( segid " " and resid 195 and name HA )) ASSI { 2008} (( segid " " and resid 247 and name HN )) (( segid " " and resid 237 and name HB3 )) 3.800 1.900 1.900 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.21639E-02 ppm1 8.762 ppm2 3.187 CV 1 ASSI { 2009} (( segid " " and resid 247 and name HN )) (( segid " " and resid 268 and name HD3 )) 3.100 3.100 2.900 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.64714E-02 ppm1 8.761 ppm2 1.607 CV 1 ASSI { 2010} (( segid " " and resid 204 and name HN )) (( segid " " and resid 175 and name HB2 )) 4.100 2.100 1.900 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.29149E-02 ppm1 8.759 ppm2 1.498 CV 1 ! ASSI { 2011} ! (( segid " " and resid 247 and name HN )) ! (( segid " " and resid 235 and name HD3 )) ! 3.100 3.100 2.900 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.46638E-02 ppm1 8.759 ppm2 1.280 CV 1 ASSI { 2012} (( segid " " and resid 247 and name HN )) ( segid " " and resid 238 and name HG2%) 3.400 1.500 1.500 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.45598E-02 ppm1 8.761 ppm2 1.136 CV 1 ASSI { 2013} (( segid " " and resid 247 and name HN )) ( segid " " and resid 245 and name HG2%) 3.600 1.600 1.600 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.29867E-02 ppm1 8.759 ppm2 0.841 CV 1 OR { 2013} (( segid " " and resid 247 and name HN )) ( segid " " and resid 248 and name HD2%) ASSI { 2014} (( segid " " and resid 247 and name HN )) ( segid " " and resid 247 and name HD2%) 3.900 1.900 1.900 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.32337E-02 ppm1 8.759 ppm2 0.605 CV 1 ASSI { 2015} (( segid " " and resid 247 and name HN )) ( segid " " and resid 247 and name HD1%) 4.400 2.400 1.600 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.28923E-02 ppm1 8.761 ppm2 -0.328 CV 1 ASSI { 2017} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HN )) 3.800 1.800 1.800 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.33218E-02 ppm1 8.754 ppm2 7.867 CV 1 ASSI { 2020} (( segid " " and resid 204 and name HN )) (( segid " " and resid 205 and name HN )) 4.500 2.600 1.500 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 8.747 ppm2 9.616 CV 1 ASSI { 2021} (( segid " " and resid 204 and name HN )) (( segid " " and resid 204 and name HD1 )) 2.900 1.000 1.000 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.61998E-02 ppm1 8.748 ppm2 7.452 CV 1 ASSI { 2023} (( segid " " and resid 204 and name HN )) (( segid " " and resid 175 and name HA )) 4.700 2.700 1.300 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.13739E-02 ppm1 8.747 ppm2 4.609 CV 1 ASSI { 2024} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HA2 )) 2.700 0.900 0.900 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.10003E-01 ppm1 8.748 ppm2 3.864 CV 1 ASSI { 2025} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HA1 )) 2.800 0.900 0.900 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.81753E-02 ppm1 8.745 ppm2 3.668 CV 1 ASSI { 2026} (( segid " " and resid 204 and name HN )) (( segid " " and resid 169 and name HE3 )) 2.500 2.500 3.500 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.42880E-02 ppm1 8.745 ppm2 3.048 CV 1 OR { 2026} (( segid " " and resid 204 and name HN )) (( segid " " and resid 201 and name HE3 )) OR { 2026} (( segid " " and resid 204 and name HN )) (( segid " " and resid 201 and name HE2 )) ASSI { 2027} (( segid " " and resid 204 and name HN )) (( segid " " and resid 174 and name HB2 )) 4.800 2.900 1.200 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.14012E-02 ppm1 8.751 ppm2 2.085 CV 1 OR { 2027} (( segid " " and resid 247 and name HN )) (( segid " " and resid 251 and name HB3 )) ASSI { 2028} (( segid " " and resid 204 and name HN )) (( segid " " and resid 174 and name HG2 )) 4.400 2.500 1.600 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.15527E-02 ppm1 8.750 ppm2 1.876 CV 1 OR { 2028} (( segid " " and resid 247 and name HN )) (( segid " " and resid 251 and name HB2 )) ASSI { 2051} (( segid " " and resid 182 and name HN )) (( segid " " and resid 183 and name HN )) 4.100 2.100 1.900 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.25634E-02 ppm1 8.135 ppm2 9.156 CV 1 ASSI { 2053} (( segid " " and resid 182 and name HN )) (( segid " " and resid 162 and name HA )) 4.400 2.400 1.600 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.16328E-02 ppm1 8.137 ppm2 5.619 CV 1 ASSI { 2054} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HB2 )) 3.500 1.500 1.500 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.87130E-02 ppm1 8.133 ppm2 2.697 CV 1 ASSI { 2055} (( segid " " and resid 182 and name HN )) ( segid " " and resid 163 and name HB% ) 4.400 2.400 1.600 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.15166E-02 ppm1 8.136 ppm2 1.626 CV 1 ASSI { 2056} (( segid " " and resid 182 and name HN )) ( segid " " and resid 177 and name HD1%) 2.700 2.700 3.300 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.18526E-01 ppm1 8.133 ppm2 0.998 CV 1 ASSI { 2057} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HN )) 4.100 2.100 1.900 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.37861E-02 ppm1 8.133 ppm2 8.516 CV 1 ASSI { 2058} (( segid " " and resid 182 and name HN )) (( segid " " and resid 182 and name HA )) 2.900 1.000 1.000 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.70479E-02 ppm1 8.133 ppm2 4.901 CV 1 ASSI { 2059} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HA )) 2.200 0.600 0.600 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.41432E-01 ppm1 8.133 ppm2 4.470 CV 1 ASSI { 2060} (( segid " " and resid 182 and name HN )) (( segid " " and resid 182 and name HB )) 2.400 2.400 3.600 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.23818E-01 ppm1 8.133 ppm2 1.949 CV 1 ASSI { 2061} (( segid " " and resid 182 and name HN )) (( segid " " and resid 199 and name HG2 )) 4.600 2.700 1.400 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.14300E-02 ppm1 8.131 ppm2 1.477 CV 1 OR { 2061} (( segid " " and resid 182 and name HN )) (( segid " " and resid 213 and name HG )) ASSI { 2072} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.94352E-02 ppm1 7.812 ppm2 9.196 CV 1 ASSI { 2073} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HN )) 4.300 2.300 1.700 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.11743E-02 ppm1 7.812 ppm2 8.571 CV 1 ASSI { 2074} (( segid " " and resid 20 and name HN )) (( segid " " and resid 23 and name HN )) 4.800 2.900 2.200 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.10038E-02 ppm1 7.816 ppm2 8.416 CV 1 ASSI { 2075} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HN )) 3.700 1.700 1.700 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.41935E-02 ppm1 7.813 ppm2 8.208 CV 1 ASSI { 2079} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 2.300 0.700 0.700 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.19998E-01 ppm1 7.813 ppm2 7.458 CV 1 ASSI { 2081} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.500 0.800 0.800 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.16586E-01 ppm1 7.813 ppm2 4.274 CV 1 ASSI { 2082} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HA )) 4.800 2.900 1.200 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.17357E-02 ppm1 7.813 ppm2 4.110 CV 1 ASSI { 2083} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 3.000 1.100 1.100 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.72203E-02 ppm1 7.812 ppm2 3.988 CV 1 ASSI { 2084} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HA )) 3.700 1.700 1.700 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.33672E-02 ppm1 7.812 ppm2 3.691 CV 1 ASSI { 2085} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HD2 )) 4.400 2.400 1.600 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.15279E-02 ppm1 7.812 ppm2 2.944 CV 1 ASSI { 2087} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB3 )) 3.200 1.300 1.300 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.54480E-02 ppm1 7.813 ppm2 1.962 CV 1 ASSI { 2088} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 3.200 1.300 1.300 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.72103E-02 ppm1 7.812 ppm2 1.793 CV 1 OR { 2088} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 2089} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HG3 )) 4.500 2.500 1.500 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.25377E-02 ppm1 7.812 ppm2 1.615 CV 1 ASSI { 2090} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HG3 )) 3.500 1.500 1.500 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.39570E-02 ppm1 7.813 ppm2 1.445 CV 1 OR { 2090} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HG2 )) ASSI { 2091} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HB% ) 2.400 0.700 0.700 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.31471E-01 ppm1 7.813 ppm2 1.251 CV 1 ASSI { 2103} (( segid " " and resid 213 and name HN )) (( segid " " and resid 162 and name HN )) 3.800 1.800 1.800 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.20910E-02 ppm1 7.707 ppm2 9.553 CV 1 ASSI { 2104} (( segid " " and resid 213 and name HN )) (( segid " " and resid 183 and name HN )) 4.900 3.000 1.100 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.97291E-03 ppm1 7.707 ppm2 9.155 CV 1 ASSI { 2105} (( segid " " and resid 213 and name HN )) (( segid " " and resid 214 and name HN )) 2.600 0.900 0.900 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.88286E-02 ppm1 7.705 ppm2 8.133 CV 1 ASSI { 2106} (( segid " " and resid 213 and name HN )) ( segid " " and resid 161 and name HD% ) 4.300 2.300 1.700 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.33502E-02 ppm1 7.706 ppm2 6.801 CV 1 ASSI { 2107} (( segid " " and resid 213 and name HN )) (( segid " " and resid 160 and name HA )) 4.600 2.700 1.400 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.11185E-02 ppm1 7.706 ppm2 5.552 CV 1 ASSI { 2109} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HA )) 2.700 0.900 0.900 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.86253E-02 ppm1 7.704 ppm2 4.167 CV 1 ASSI { 2110} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HA )) 2.100 0.600 0.600 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.22649E-01 ppm1 7.704 ppm2 3.597 CV 1 ASSI { 2111} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HG3 )) 4.400 2.400 1.600 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.22307E-02 ppm1 7.706 ppm2 2.070 CV 1 OR { 2111} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HG2 )) ASSI { 2112} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HB3 )) 3.600 1.600 1.600 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.45022E-02 ppm1 7.704 ppm2 1.943 CV 1 ASSI { 2113} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HB3 )) 2.600 0.800 0.800 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.15669E-01 ppm1 7.704 ppm2 1.482 CV 1 ASSI { 2114} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HB2 )) 2.300 0.700 0.700 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.14994E-01 ppm1 7.704 ppm2 1.328 CV 1 ASSI { 2117} (( segid " " and resid 213 and name HN )) (( segid " " and resid 161 and name HA )) 2.200 0.600 0.600 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.12501E-01 ppm1 7.703 ppm2 4.975 CV 1 ASSI { 2118} (( segid " " and resid 213 and name HN )) (( segid " " and resid 214 and name HA )) 4.700 2.700 1.300 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.12842E-02 ppm1 7.700 ppm2 4.605 CV 1 ASSI { 2119} (( segid " " and resid 213 and name HN )) (( segid " " and resid 161 and name HB3 )) 5.000 3.200 1.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.11733E-02 ppm1 7.699 ppm2 2.887 CV 1 ASSI { 2120} (( segid " " and resid 213 and name HN )) (( segid " " and resid 214 and name HB2 )) 4.700 2.800 1.300 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.12170E-02 ppm1 7.701 ppm2 2.531 CV 1 ASSI { 2121} (( segid " " and resid 213 and name HN )) ( segid " " and resid 213 and name HD2%) 3.600 1.600 1.600 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.61302E-02 ppm1 7.703 ppm2 0.825 CV 1 OR { 2121} (( segid " " and resid 213 and name HN )) ( segid " " and resid 213 and name HD1%) ASSI { 2124} (( segid " " and resid 169 and name HN )) (( segid " " and resid 176 and name HN )) 4.200 2.200 1.800 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.10805E-02 ppm1 7.633 ppm2 8.112 CV 1 ASSI { 2126} (( segid " " and resid 235 and name HN )) (( segid " " and resid 233 and name HN )) 4.600 2.600 1.400 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.13159E-02 ppm1 7.491 ppm2 8.430 CV 1 ASSI { 2129} (( segid " " and resid 235 and name HN )) (( segid " " and resid 234 and name HN )) 2.100 2.100 3.900 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.25808E-01 ppm1 7.486 ppm2 8.992 CV 1 ASSI { 2135} (( segid " " and resid 235 and name HN )) ( segid " " and resid 279 and name HD% ) 4.700 2.800 1.300 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.19963E-02 ppm1 7.486 ppm2 6.491 CV 1 OR { 2135} (( segid " " and resid 235 and name HN )) ( segid " " and resid 275 and name HE% ) ASSI { 2136} (( segid " " and resid 235 and name HN )) (( segid " " and resid 280 and name HA )) 3.900 1.900 1.900 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.21104E-02 ppm1 7.486 ppm2 5.474 CV 1 ASSI { 2137} (( segid " " and resid 235 and name HN )) (( segid " " and resid 233 and name HA )) 2.900 1.100 1.100 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.96567E-02 ppm1 7.487 ppm2 5.124 CV 1 ASSI { 2138} (( segid " " and resid 235 and name HN )) (( segid " " and resid 279 and name HA )) 4.400 2.400 1.600 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.27180E-02 ppm1 7.487 ppm2 4.949 CV 1 ASSI { 2139} (( segid " " and resid 235 and name HN )) (( segid " " and resid 234 and name HA )) 2.800 1.000 1.000 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.92619E-02 ppm1 7.486 ppm2 4.422 CV 1 ASSI { 2140} (( segid " " and resid 235 and name HN )) (( segid " " and resid 235 and name HA )) 2.600 0.800 0.800 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.11543E-01 ppm1 7.486 ppm2 4.143 CV 1 ASSI { 2141} (( segid " " and resid 235 and name HN )) (( segid " " and resid 279 and name HB3 )) 4.000 2.000 2.000 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.55678E-02 ppm1 7.486 ppm2 3.916 CV 1 ASSI { 2142} (( segid " " and resid 235 and name HN )) (( segid " " and resid 249 and name HA )) 3.100 1.200 1.200 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.42569E-02 ppm1 7.487 ppm2 3.260 CV 1 ASSI { 2143} (( segid " " and resid 235 and name HN )) (( segid " " and resid 237 and name HB2 )) 4.800 2.900 1.200 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.27609E-02 ppm1 7.484 ppm2 2.968 CV 1 OR { 2143} (( segid " " and resid 235 and name HN )) (( segid " " and resid 279 and name HB2 )) ! ASSI { 2144} ! (( segid " " and resid 235 and name HN )) ! (( segid " " and resid 235 and name HE3 )) ! 5.200 3.400 0.800 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 7.489 ppm2 2.828 CV 1 ! OR { 2144} ! (( segid " " and resid 235 and name HN )) ! (( segid " " and resid 235 and name HE2 )) ASSI { 2145} (( segid " " and resid 235 and name HN )) (( segid " " and resid 249 and name HG3 )) 3.700 1.700 1.700 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.46018E-02 ppm1 7.486 ppm2 2.049 CV 1 OR { 2145} (( segid " " and resid 235 and name HN )) (( segid " " and resid 249 and name HG2 )) ASSI { 2146} (( segid " " and resid 235 and name HN )) (( segid " " and resid 249 and name HB2 )) 4.200 2.200 1.800 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.27561E-02 ppm1 7.488 ppm2 1.795 CV 1 OR { 2146} (( segid " " and resid 235 and name HN )) (( segid " " and resid 249 and name HB3 )) OR { 2146} (( segid " " and resid 235 and name HN )) (( segid " " and resid 232 and name HB )) ASSI { 2147} (( segid " " and resid 235 and name HN )) ( segid " " and resid 233 and name HB% ) 2.500 0.800 0.800 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.12627E-01 ppm1 7.486 ppm2 1.413 CV 1 ! ASSI { 2148} ! (( segid " " and resid 235 and name HN )) ! (( segid " " and resid 235 and name HD3 )) ! 3.100 1.200 1.200 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.20509E-02 ppm1 7.484 ppm2 1.277 CV 1 ASSI { 2149} (( segid " " and resid 235 and name HN )) (( segid " " and resid 235 and name HB3 )) 2.900 1.100 1.100 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.10816E-01 ppm1 7.486 ppm2 1.006 CV 1 ASSI { 2150} (( segid " " and resid 235 and name HN )) (( segid " " and resid 234 and name HG12)) 3.000 1.100 1.100 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.22149E-01 ppm1 7.486 ppm2 0.886 CV 1 OR { 2150} (( segid " " and resid 235 and name HN )) ( segid " " and resid 234 and name HD1%) OR { 2150} (( segid " " and resid 235 and name HN )) ( segid " " and resid 234 and name HG2%) ASSI { 2152} (( segid " " and resid 235 and name HN )) ( segid " " and resid 253 and name HG2%) 4.500 2.500 1.500 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.22490E-02 ppm1 7.486 ppm2 0.493 CV 1 OR { 2152} (( segid " " and resid 235 and name HN )) ( segid " " and resid 280 and name HD2%) ASSI { 2170} (( segid " " and resid 260 and name HN )) (( segid " " and resid 261 and name HN )) 3.100 1.200 1.200 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.44223E-02 ppm1 8.915 ppm2 7.869 CV 1 ASSI { 2173} (( segid " " and resid 260 and name HN )) (( segid " " and resid 260 and name HA )) 2.900 1.000 1.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.69167E-02 ppm1 8.914 ppm2 4.224 CV 1 ASSI { 2174} (( segid " " and resid 260 and name HN )) (( segid " " and resid 259 and name HA )) 2.200 0.600 0.600 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.18254E-01 ppm1 8.914 ppm2 4.023 CV 1 ASSI { 2175} (( segid " " and resid 260 and name HN )) (( segid " " and resid 222 and name HD3 )) 3.800 1.800 1.800 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.10412E-02 ppm1 8.912 ppm2 3.832 CV 1 OR { 2175} (( segid " " and resid 260 and name HN )) (( segid " " and resid 221 and name HB3 )) ASSI { 2176} (( segid " " and resid 260 and name HN )) (( segid " " and resid 222 and name HD2 )) 4.000 2.000 2.000 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.13701E-02 ppm1 8.916 ppm2 3.643 CV 1 OR { 2176} (( segid " " and resid 260 and name HN )) (( segid " " and resid 221 and name HB2 )) ASSI { 2177} (( segid " " and resid 260 and name HN )) (( segid " " and resid 190 and name HG3 )) 4.700 2.800 1.300 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.13663E-02 ppm1 8.915 ppm2 2.530 CV 1 OR { 2177} (( segid " " and resid 260 and name HN )) (( segid " " and resid 190 and name HG2 )) OR { 2177} (( segid " " and resid 260 and name HN )) (( segid " " and resid 207 and name HA )) ASSI { 2178} (( segid " " and resid 260 and name HN )) (( segid " " and resid 259 and name HB3 )) 3.600 1.600 1.600 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.32344E-02 ppm1 8.914 ppm2 2.068 CV 1 ASSI { 2179} (( segid " " and resid 260 and name HN )) (( segid " " and resid 260 and name HB3 )) 3.000 1.100 1.100 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.20142E-01 ppm1 8.914 ppm2 1.920 CV 1 OR { 2179} (( segid " " and resid 260 and name HN )) (( segid " " and resid 260 and name HG )) ASSI { 2180} (( segid " " and resid 260 and name HN )) (( segid " " and resid 259 and name HB2 )) 2.600 0.900 0.900 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.10292E-01 ppm1 8.914 ppm2 1.698 CV 1 ASSI { 2181} (( segid " " and resid 260 and name HN )) (( segid " " and resid 259 and name HG )) 4.500 2.600 1.500 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.18062E-02 ppm1 8.913 ppm2 1.226 CV 1 ASSI { 2182} (( segid " " and resid 260 and name HN )) ( segid " " and resid 260 and name HD1%) 3.600 1.600 1.600 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.68614E-02 ppm1 8.914 ppm2 1.053 CV 1 OR { 2182} (( segid " " and resid 260 and name HN )) ( segid " " and resid 259 and name HD1%) ASSI { 2183} (( segid " " and resid 260 and name HN )) ( segid " " and resid 259 and name HD2%) 3.800 1.800 1.800 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.39214E-02 ppm1 8.911 ppm2 0.559 CV 1 ASSI { 2189} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HD3 )) 4.700 2.700 1.300 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.13755E-02 ppm1 8.458 ppm2 3.804 CV 1 OR { 2189} (( segid " " and resid 223 and name HN )) (( segid " " and resid 221 and name HB3 )) ASSI { 2190} (( segid " " and resid 223 and name HN )) (( segid " " and resid 224 and name HD2 )) 3.500 1.500 1.500 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.30626E-02 ppm1 8.457 ppm2 3.311 CV 1 ASSI { 2191} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HB3 )) 2.700 0.900 0.900 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.20822E-01 ppm1 8.456 ppm2 2.305 CV 1 OR { 2191} (( segid " " and resid 223 and name HN )) (( segid " " and resid 285 and name HG3 )) ASSI { 2192} (( segid " " and resid 223 and name HN )) (( segid " " and resid 223 and name HB2 )) 2.100 2.100 3.900 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.28229E-01 ppm1 8.455 ppm2 1.816 CV 1 ASSI { 2193} (( segid " " and resid 223 and name HN )) (( segid " " and resid 258 and name HD3 )) 4.700 2.800 1.300 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.11378E-02 ppm1 8.458 ppm2 1.215 CV 1 OR { 2193} (( segid " " and resid 223 and name HN )) (( segid " " and resid 258 and name HD2 )) ASSI { 2197} (( segid " " and resid 223 and name HN )) (( segid " " and resid 223 and name HA )) 2.000 2.000 4.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.58750E-01 ppm1 8.455 ppm2 4.485 CV 1 ASSI { 2199} (( segid " " and resid 223 and name HN )) (( segid " " and resid 224 and name HD3 )) 3.300 1.300 1.300 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.27439E-02 ppm1 8.455 ppm2 3.477 CV 1 ASSI { 2200} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HG2 )) 3.300 1.400 1.400 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.14313E-01 ppm1 8.455 ppm2 1.966 CV 1 OR { 2200} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HG3 )) ASSI { 2203} (( segid " " and resid 226 and name HN )) (( segid " " and resid 227 and name HN )) 2.700 0.900 0.900 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.98694E-02 ppm1 8.423 ppm2 7.972 CV 1 ASSI { 2204} (( segid " " and resid 226 and name HN )) ( segid " " and resid 226 and name HD% ) 3.300 3.300 2.700 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.54489E-02 ppm1 8.423 ppm2 7.025 CV 1 ASSI { 2205} (( segid " " and resid 226 and name HN )) (( segid " " and resid 225 and name HA )) 2.200 0.600 0.600 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.38852E-01 ppm1 8.423 ppm2 4.709 CV 1 ASSI { 2206} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HA )) 2.800 1.000 1.000 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.96815E-02 ppm1 8.424 ppm2 4.115 CV 1 ASSI { 2207} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HB3 )) 2.800 1.000 1.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.11015E-01 ppm1 8.423 ppm2 3.150 CV 1 ASSI { 2209} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HB2 )) 2.600 0.800 0.800 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.14735E-01 ppm1 8.423 ppm2 2.765 CV 1 ASSI { 2210} (( segid " " and resid 226 and name HN )) (( segid " " and resid 225 and name HB2 )) 4.300 2.300 1.700 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.33327E-02 ppm1 8.422 ppm2 2.577 CV 1 ASSI { 2213} (( segid " " and resid 226 and name HN )) (( segid " " and resid 225 and name HN )) 4.000 2.000 2.000 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.28778E-02 ppm1 8.422 ppm2 8.585 CV 1 ASSI { 2215} (( segid " " and resid 226 and name HN )) (( segid " " and resid 228 and name HN )) 4.400 2.400 1.600 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.12215E-02 ppm1 8.421 ppm2 7.222 CV 1 ASSI { 2217} (( segid " " and resid 226 and name HN )) ( segid " " and resid 227 and name HB% ) 4.400 2.400 1.600 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.29132E-02 ppm1 8.421 ppm2 1.436 CV 1 ASSI { 2231} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG2 )) 4.000 2.000 2.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.16681E-02 ppm1 7.810 ppm2 2.263 CV 1 ASSI { 2236} (( segid " " and resid 280 and name HN )) (( segid " " and resid 281 and name HN )) 3.900 1.900 1.900 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.25668E-02 ppm1 7.687 ppm2 9.229 CV 1 ASSI { 2238} (( segid " " and resid 280 and name HN )) (( segid " " and resid 279 and name HN )) 2.500 0.800 0.800 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.13183E-01 ppm1 7.687 ppm2 7.159 CV 1 ASSI { 2240} (( segid " " and resid 280 and name HN )) ( segid " " and resid 279 and name HD% ) 4.000 2.000 2.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 7.685 ppm2 6.490 CV 1 ASSI { 2241} (( segid " " and resid 280 and name HN )) (( segid " " and resid 280 and name HA )) 2.800 1.000 1.000 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.73638E-02 ppm1 7.686 ppm2 5.472 CV 1 ASSI { 2242} (( segid " " and resid 280 and name HN )) (( segid " " and resid 279 and name HA )) 2.900 1.100 1.100 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.53621E-02 ppm1 7.688 ppm2 4.945 CV 1 ASSI { 2245} (( segid " " and resid 280 and name HN )) (( segid " " and resid 279 and name HB2 )) 3.600 1.600 1.600 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.23607E-02 ppm1 7.688 ppm2 2.957 CV 1 ASSI { 2246} (( segid " " and resid 280 and name HN )) (( segid " " and resid 277 and name HA )) 4.200 2.200 1.800 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.33651E-02 ppm1 7.687 ppm2 2.616 CV 1 ASSI { 2248} (( segid " " and resid 280 and name HN )) (( segid " " and resid 280 and name HB2 )) 3.300 1.400 1.400 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.75353E-02 ppm1 7.688 ppm2 1.391 CV 1 ASSI { 2249} (( segid " " and resid 280 and name HN )) (( segid " " and resid 235 and name HG3 )) 2.900 2.900 3.100 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.19489E-02 ppm1 7.687 ppm2 1.118 CV 1 OR { 2249} (( segid " " and resid 280 and name HN )) (( segid " " and resid 282 and name HG2 )) ASSI { 2250} (( segid " " and resid 280 and name HN )) ( segid " " and resid 234 and name HG2%) 3.500 1.600 1.600 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.46572E-02 ppm1 7.687 ppm2 0.879 CV 1 OR { 2250} (( segid " " and resid 280 and name HN )) ( segid " " and resid 266 and name HD1%) ASSI { 2251} (( segid " " and resid 280 and name HN )) ( segid " " and resid 280 and name HD1%) 4.200 2.200 1.800 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.52696E-02 ppm1 7.687 ppm2 0.579 CV 1 ASSI { 2252} (( segid " " and resid 280 and name HN )) ( segid " " and resid 280 and name HD2%) 2.900 1.100 1.100 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.48047E-02 ppm1 7.686 ppm2 0.484 CV 1 ASSI { 2254} (( segid " " and resid 280 and name HN )) (( segid " " and resid 264 and name HE3 )) 5.800 4.300 0.200 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.12633E-02 ppm1 7.682 ppm2 6.795 CV 1 ASSI { 2255} (( segid " " and resid 280 and name HN )) (( segid " " and resid 233 and name HA )) 4.200 2.200 1.800 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.15658E-02 ppm1 7.683 ppm2 5.124 CV 1 OR { 2255} (( segid " " and resid 280 and name HN )) (( segid " " and resid 231 and name HA )) ASSI { 2258} (( segid " " and resid 169 and name HN )) (( segid " " and resid 170 and name HN )) 3.400 1.500 1.500 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.20781E-02 ppm1 7.636 ppm2 9.010 CV 1 ASSI { 2260} (( segid " " and resid 169 and name HN )) (( segid " " and resid 176 and name HA )) 3.000 1.100 1.100 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.36390E-02 ppm1 7.635 ppm2 4.576 CV 1 ASSI { 2261} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HA )) 1.900 0.500 0.500 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.39676E-01 ppm1 7.635 ppm2 4.287 CV 1 ASSI { 2262} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HA )) 2.900 1.000 1.000 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.68181E-02 ppm1 7.634 ppm2 4.041 CV 1 ASSI { 2263} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HD3 )) 3.800 1.800 1.800 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.37392E-02 ppm1 7.630 ppm2 2.089 CV 1 ASSI { 2264} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HB3 )) 3.400 1.400 1.400 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.12003E-01 ppm1 7.636 ppm2 1.736 CV 1 ASSI { 2265} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HD2 )) 2.500 0.800 0.800 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.15699E-01 ppm1 7.635 ppm2 1.605 CV 1 OR { 2265} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HB2 )) OR { 2265} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HB2 )) ASSI { 2266} (( segid " " and resid 169 and name HN )) ( segid " " and resid 176 and name HB% ) 2.700 0.900 0.900 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.13993E-01 ppm1 7.635 ppm2 1.428 CV 1 ASSI { 2267} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HG2 )) 2.500 0.800 0.800 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.15022E-01 ppm1 7.635 ppm2 1.261 CV 1 OR { 2267} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HG3 )) ASSI { 2286} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HN )) 3.800 1.800 1.800 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.35246E-02 ppm1 9.095 ppm2 8.950 CV 1 ASSI { 2287} (( segid " " and resid 178 and name HN )) (( segid " " and resid 181 and name HN )) 4.200 2.200 1.800 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.19089E-02 ppm1 9.097 ppm2 8.511 CV 1 ASSI { 2288} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HN )) 4.300 2.400 1.700 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 9.099 ppm2 8.208 CV 1 ASSI { 2289} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HA )) 3.000 1.100 1.100 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.63902E-02 ppm1 9.096 ppm2 5.252 CV 1 ASSI { 2290} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HA )) 2.200 0.600 0.600 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.29484E-01 ppm1 9.095 ppm2 4.879 CV 1 ASSI { 2291} (( segid " " and resid 178 and name HN )) (( segid " " and resid 181 and name HA )) 5.000 3.100 1.000 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 9.095 ppm2 4.474 CV 1 ASSI { 2292} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HB3 )) 2.900 1.000 1.000 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.65025E-02 ppm1 9.094 ppm2 3.785 CV 1 ASSI { 2293} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HB2 )) 3.000 1.100 1.100 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.11144E-01 ppm1 9.095 ppm2 3.627 CV 1 ASSI { 2294} (( segid " " and resid 178 and name HN )) (( segid " " and resid 181 and name HB2 )) 2.900 1.100 1.100 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.55494E-02 ppm1 9.095 ppm2 2.713 CV 1 ASSI { 2295} (( segid " " and resid 178 and name HN )) ( segid " " and resid 198 and name HE% ) 3.900 1.900 1.900 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.23720E-02 ppm1 9.095 ppm2 2.129 CV 1 ASSI { 2296} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HG )) 3.500 1.600 1.600 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.44707E-02 ppm1 9.094 ppm2 1.763 CV 1 ASSI { 2297} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HB2 )) 3.600 1.600 1.600 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.86905E-02 ppm1 9.096 ppm2 1.592 CV 1 ASSI { 2298} (( segid " " and resid 178 and name HN )) ( segid " " and resid 177 and name HD2%) 3.800 1.800 1.800 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.68579E-02 ppm1 9.094 ppm2 0.941 CV 1 OR { 2298} (( segid " " and resid 178 and name HN )) ( segid " " and resid 205 and name HD1%) ASSI { 2299} (( segid " " and resid 178 and name HN )) (( segid " " and resid 176 and name HA )) 3.100 3.100 2.900 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.11698E-02 ppm1 9.092 ppm2 4.588 CV 1 ASSI { 2300} (( segid " " and resid 178 and name HN )) ( segid " " and resid 176 and name HB% ) 4.400 2.400 1.600 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.11626E-02 ppm1 9.093 ppm2 1.438 CV 1 OR { 2300} (( segid " " and resid 178 and name HN )) (( segid " " and resid 205 and name HG13)) ASSI { 2367} (( segid " " and resid 218 and name HN )) (( segid " " and resid 217 and name HN )) 2.500 0.800 0.800 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.19414E-01 ppm1 8.095 ppm2 8.349 CV 1 ASSI { 2368} (( segid " " and resid 218 and name HN )) (( segid " " and resid 219 and name HN )) 2.700 0.900 0.900 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.11198E-01 ppm1 8.095 ppm2 8.276 CV 1 ASSI { 2372} (( segid " " and resid 218 and name HN )) (( segid " " and resid 217 and name HA )) 2.400 0.700 1.700 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.28927E-01 ppm1 8.095 ppm2 4.558 CV 1 ASSI { 2373} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HA )) 2.500 0.800 0.800 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.24537E-01 ppm1 8.095 ppm2 4.385 CV 1 ASSI { 2374} (( segid " " and resid 218 and name HN )) (( segid " " and resid 215 and name HB3 )) 3.800 1.800 1.800 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.20673E-02 ppm1 8.094 ppm2 3.749 CV 1 OR { 2374} (( segid " " and resid 218 and name HN )) (( segid " " and resid 215 and name HB2 )) ASSI { 2375} (( segid " " and resid 218 and name HN )) (( segid " " and resid 217 and name HB3 )) 3.200 1.300 1.300 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.69071E-02 ppm1 8.096 ppm2 2.716 CV 1 ASSI { 2376} (( segid " " and resid 218 and name HN )) (( segid " " and resid 217 and name HB2 )) 3.400 1.400 1.400 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.63923E-02 ppm1 8.095 ppm2 2.552 CV 1 ASSI { 2377} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HG2 )) 2.800 1.000 1.000 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.13990E-01 ppm1 8.095 ppm2 2.233 CV 1 OR { 2377} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HG3 )) ASSI { 2378} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HB3 )) 3.100 1.200 1.200 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.14791E-01 ppm1 8.095 ppm2 2.071 CV 1 ASSI { 2379} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HB2 )) 2.300 2.300 3.700 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.27032E-01 ppm1 8.095 ppm2 1.926 CV 1 ASSI { 2380} (( segid " " and resid 218 and name HN )) ( segid " " and resid 219 and name HG2%) 4.600 2.700 1.400 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 8.095 ppm2 1.260 CV 1 ASSI { 2412} (( segid " " and resid 267 and name HN )) (( segid " " and resid 256 and name HN )) 3.700 1.700 1.700 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.21975E-02 ppm1 9.269 ppm2 8.834 CV 1 ASSI { 2413} (( segid " " and resid 267 and name HN )) (( segid " " and resid 254 and name HN )) 3.100 1.200 1.200 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.42972E-02 ppm1 9.267 ppm2 8.310 CV 1 ASSI { 2414} (( segid " " and resid 267 and name HN )) (( segid " " and resid 266 and name HA )) 2.300 0.600 0.600 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.15589E-01 ppm1 9.266 ppm2 5.239 CV 1 ASSI { 2415} (( segid " " and resid 267 and name HN )) (( segid " " and resid 254 and name HA )) 4.000 2.000 2.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.13265E-02 ppm1 9.262 ppm2 4.976 CV 1 ASSI { 2417} (( segid " " and resid 267 and name HN )) (( segid " " and resid 254 and name HG3 )) 4.300 2.300 1.700 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 9.263 ppm2 2.249 CV 1 OR { 2417} (( segid " " and resid 267 and name HN )) (( segid " " and resid 271 and name HB )) ASSI { 2418} (( segid " " and resid 267 and name HN )) (( segid " " and resid 253 and name HB )) 3.200 1.300 1.300 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.60656E-02 ppm1 9.265 ppm2 2.033 CV 1 OR { 2418} (( segid " " and resid 267 and name HN )) (( segid " " and resid 254 and name HB3 )) ASSI { 2419} (( segid " " and resid 267 and name HN )) (( segid " " and resid 266 and name HB )) 3.000 1.100 1.100 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.13153E-01 ppm1 9.267 ppm2 1.646 CV 1 OR { 2419} (( segid " " and resid 267 and name HN )) (( segid " " and resid 254 and name HB2 )) ASSI { 2420} (( segid " " and resid 267 and name HN )) (( segid " " and resid 267 and name HB2 )) 2.500 0.800 0.800 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.87631E-02 ppm1 9.264 ppm2 1.418 CV 1 ASSI { 2421} (( segid " " and resid 267 and name HN )) (( segid " " and resid 256 and name HG12)) 3.000 1.100 1.100 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.44338E-02 ppm1 9.267 ppm2 0.997 CV 1 ASSI { 2425} (( segid " " and resid 267 and name HN )) ( segid " " and resid 253 and name HG2%) 4.100 2.200 1.900 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.58122E-02 ppm1 9.259 ppm2 0.495 CV 1 OR { 2425} (( segid " " and resid 267 and name HN )) ( segid " " and resid 256 and name HG2%) ASSI { 2427} (( segid " " and resid 281 and name HN )) ( segid " " and resid 231 and name HD% ) 3.000 3.000 3.000 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.46167E-02 ppm1 9.242 ppm2 7.005 CV 1 ASSI { 2428} (( segid " " and resid 281 and name HN )) (( segid " " and resid 231 and name HB3 )) 3.300 1.400 1.400 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.34806E-02 ppm1 9.243 ppm2 2.715 CV 1 OR { 2428} (( segid " " and resid 281 and name HN )) (( segid " " and resid 231 and name HB2 )) ASSI { 2430} (( segid " " and resid 281 and name HN )) ( segid " " and resid 234 and name HG2%) 2.900 1.100 1.100 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.67627E-02 ppm1 9.247 ppm2 0.851 CV 1 ASSI { 2431} (( segid " " and resid 281 and name HN )) (( segid " " and resid 234 and name HN )) 4.300 2.300 1.700 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.24153E-02 ppm1 9.241 ppm2 8.992 CV 1 ASSI { 2432} (( segid " " and resid 281 and name HN )) (( segid " " and resid 282 and name HN )) 4.100 2.100 1.900 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.20590E-02 ppm1 9.239 ppm2 8.786 CV 1 ASSI { 2465} (( segid " " and resid 229 and name HN )) (( segid " " and resid 255 and name HN )) 2.700 0.900 0.900 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.93550E-02 ppm1 7.976 ppm2 9.650 CV 1 ASSI { 2469} (( segid " " and resid 229 and name HN )) (( segid " " and resid 228 and name HN )) 4.100 2.100 1.900 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.38980E-02 ppm1 7.975 ppm2 7.237 CV 1 ASSI { 2471} (( segid " " and resid 229 and name HN )) (( segid " " and resid 229 and name HA )) 2.700 0.900 0.900 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.11932E-01 ppm1 7.975 ppm2 4.974 CV 1 OR { 2471} (( segid " " and resid 229 and name HN )) (( segid " " and resid 254 and name HA )) ASSI { 2473} (( segid " " and resid 229 and name HN )) (( segid " " and resid 256 and name HA )) 4.500 2.500 1.500 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.20772E-02 ppm1 7.977 ppm2 4.497 CV 1 ASSI { 2474} (( segid " " and resid 229 and name HN )) (( segid " " and resid 228 and name HA1 )) 2.300 0.700 0.700 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.19300E-01 ppm1 7.975 ppm2 3.832 CV 1 OR { 2474} (( segid " " and resid 229 and name HN )) (( segid " " and resid 228 and name HA2 )) ASSI { 2475} (( segid " " and resid 229 and name HN )) (( segid " " and resid 229 and name HB3 )) 3.000 1.100 1.100 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.10464E-01 ppm1 7.975 ppm2 2.259 CV 1 OR { 2475} (( segid " " and resid 229 and name HN )) (( segid " " and resid 254 and name HG3 )) ASSI { 2476} (( segid " " and resid 229 and name HN )) (( segid " " and resid 229 and name HB2 )) 2.500 2.500 3.500 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.86188E-02 ppm1 7.975 ppm2 1.934 CV 1 ASSI { 2477} (( segid " " and resid 229 and name HN )) (( segid " " and resid 255 and name HB )) 3.100 1.200 1.200 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.54266E-02 ppm1 7.975 ppm2 1.805 CV 1 ASSI { 2478} (( segid " " and resid 229 and name HN )) (( segid " " and resid 254 and name HB2 )) 4.200 2.200 1.800 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.37290E-02 ppm1 7.974 ppm2 1.644 CV 1 ! ASSI { 2479} ! (( segid " " and resid 229 and name HN )) ! (( segid " " and resid 267 and name HB2 )) ! 4.100 2.100 1.900 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.21058E-02 ppm1 7.976 ppm2 1.439 CV 1 ! OR { 2479} ! (( segid " " and resid 229 and name HN )) ! (( segid " " and resid 280 and name HB2 )) ! OR { 2479} ! (( segid " " and resid 229 and name HN )) ! (( segid " " and resid 267 and name HG2 )) ASSI { 2480} (( segid " " and resid 229 and name HN )) ( segid " " and resid 255 and name HG1%) 4.200 2.200 1.800 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.30505E-02 ppm1 7.975 ppm2 0.578 CV 1 OR { 2480} (( segid " " and resid 229 and name HN )) ( segid " " and resid 280 and name HD1%) ASSI { 2481} (( segid " " and resid 229 and name HN )) ( segid " " and resid 255 and name HG2%) 3.600 1.700 1.700 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.18450E-02 ppm1 7.973 ppm2 0.343 CV 1 ASSI { 2483} (( segid " " and resid 229 and name HN )) (( segid " " and resid 255 and name HA )) 4.100 2.100 1.900 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.12021E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 2488} (( segid " " and resid 251 and name HN )) ( segid " " and resid 247 and name HD1%) 5.500 3.700 0.500 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.17472E-02 ppm1 7.611 ppm2 -0.336 CV 1 ASSI { 2489} (( segid " " and resid 251 and name HN )) (( segid " " and resid 248 and name HN )) 4.000 2.000 2.000 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.19271E-02 ppm1 7.609 ppm2 9.093 CV 1 ASSI { 2490} (( segid " " and resid 251 and name HN )) (( segid " " and resid 250 and name HN )) 2.300 0.600 0.600 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.16399E-01 ppm1 7.608 ppm2 8.888 CV 1 ASSI { 2491} (( segid " " and resid 251 and name HN )) (( segid " " and resid 233 and name HN )) 3.500 1.500 1.500 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.52350E-02 ppm1 7.609 ppm2 8.389 CV 1 ASSI { 2492} (( segid " " and resid 251 and name HN )) (( segid " " and resid 249 and name HN )) 4.000 2.000 2.000 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.12160E-02 ppm1 7.605 ppm2 8.192 CV 1 ASSI { 2498} (( segid " " and resid 251 and name HN )) (( segid " " and resid 233 and name HA )) 5.200 3.400 0.800 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.16595E-02 ppm1 7.608 ppm2 5.117 CV 1 ASSI { 2499} (( segid " " and resid 251 and name HN )) (( segid " " and resid 236 and name HA )) 2.900 2.900 3.100 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.17051E-02 ppm1 7.608 ppm2 4.428 CV 1 OR { 2499} (( segid " " and resid 251 and name HN )) (( segid " " and resid 234 and name HA )) ASSI { 2500} (( segid " " and resid 251 and name HN )) (( segid " " and resid 250 and name HA2 )) 3.000 1.100 1.100 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.73019E-02 ppm1 7.609 ppm2 4.262 CV 1 ASSI { 2501} (( segid " " and resid 251 and name HN )) (( segid " " and resid 251 and name HA )) 2.500 0.800 0.800 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.15330E-01 ppm1 7.609 ppm2 4.133 CV 1 ASSI { 2502} (( segid " " and resid 251 and name HN )) (( segid " " and resid 250 and name HA1 )) 3.100 1.200 1.200 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.79346E-02 ppm1 7.608 ppm2 3.526 CV 1 ASSI { 2503} (( segid " " and resid 251 and name HN )) (( segid " " and resid 249 and name HA )) 3.500 1.500 1.500 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.86539E-02 ppm1 7.608 ppm2 3.262 CV 1 ASSI { 2504} (( segid " " and resid 251 and name HN )) (( segid " " and resid 251 and name HG3 )) 3.200 1.200 1.200 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.16984E-01 ppm1 7.609 ppm2 2.402 CV 1 ASSI { 2506} (( segid " " and resid 251 and name HN )) (( segid " " and resid 251 and name HB2 )) 2.100 0.500 0.500 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.14626E-01 ppm1 7.608 ppm2 1.818 CV 1 ASSI { 2507} (( segid " " and resid 251 and name HN )) ( segid " " and resid 233 and name HB% ) 2.200 0.600 0.600 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.19222E-01 ppm1 7.609 ppm2 1.417 CV 1 ! ASSI { 2508} ! (( segid " " and resid 251 and name HN )) ! (( segid " " and resid 235 and name HD3 )) ! 2.800 2.800 3.200 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.20980E-02 ppm1 7.609 ppm2 1.280 CV 1 ASSI { 2509} (( segid " " and resid 251 and name HN )) ( segid " " and resid 232 and name HG1%) 3.900 1.900 1.900 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.48479E-02 ppm1 7.609 ppm2 0.778 CV 1 ASSI { 2510} (( segid " " and resid 251 and name HN )) ( segid " " and resid 247 and name HD2%) 4.700 2.700 1.300 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.22900E-02 ppm1 7.609 ppm2 0.622 CV 1 ASSI { 2511} (( segid " " and resid 251 and name HN )) ( segid " " and resid 253 and name HG2%) 5.300 3.600 0.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.10969E-02 ppm1 7.606 ppm2 0.474 CV 1 ASSI { 2521} (( segid " " and resid 281 and name HN )) (( segid " " and resid 280 and name HA )) 2.300 0.700 0.700 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.16472E-01 ppm1 9.242 ppm2 5.469 CV 1 ASSI { 2522} (( segid " " and resid 281 and name HN )) (( segid " " and resid 231 and name HA )) 3.700 1.700 1.700 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.41023E-02 ppm1 9.242 ppm2 5.106 CV 1 OR { 2522} (( segid " " and resid 281 and name HN )) (( segid " " and resid 232 and name HA )) ASSI { 2523} (( segid " " and resid 281 and name HN )) (( segid " " and resid 281 and name HA )) 2.900 1.000 1.000 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.65252E-02 ppm1 9.243 ppm2 4.808 CV 1 ASSI { 2524} (( segid " " and resid 281 and name HN )) (( segid " " and resid 281 and name HB2 )) 2.900 1.000 1.000 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.74548E-02 ppm1 9.242 ppm2 1.884 CV 1 ASSI { 2525} (( segid " " and resid 281 and name HN )) ( segid " " and resid 280 and name HD2%) 2.300 2.300 3.700 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.63092E-02 ppm1 9.243 ppm2 0.481 CV 1 OR { 2525} (( segid " " and resid 281 and name HN )) ( segid " " and resid 253 and name HG2%) ASSI { 2527} (( segid " " and resid 281 and name HN )) ( segid " " and resid 231 and name HE% ) 4.300 2.300 1.700 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.13040E-02 ppm1 9.240 ppm2 6.840 CV 1 ASSI { 2528} (( segid " " and resid 281 and name HN )) (( segid " " and resid 231 and name HB3 )) 3.400 1.400 1.400 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.33158E-02 ppm1 9.241 ppm2 2.716 CV 1 OR { 2528} (( segid " " and resid 281 and name HN )) (( segid " " and resid 231 and name HB2 )) ASSI { 2529} (( segid " " and resid 281 and name HN )) (( segid " " and resid 281 and name HB3 )) 3.500 1.500 1.500 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.27596E-02 ppm1 9.238 ppm2 2.338 CV 1 OR { 2529} (( segid " " and resid 281 and name HN )) (( segid " " and resid 281 and name HG3 )) ASSI { 2538} (( segid " " and resid 237 and name HN )) (( segid " " and resid 248 and name HN )) 3.800 1.800 1.800 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.16154E-02 ppm1 8.540 ppm2 9.112 CV 1 ASSI { 2551} (( segid " " and resid 229 and name HN )) (( segid " " and resid 258 and name HG3 )) 4.200 2.200 1.800 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 7.971 ppm2 0.318 CV 1 ASSI { 2557} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HD3 )) 5.300 3.500 0.700 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.98110E-03 ppm1 9.570 ppm2 3.198 CV 1 OR { 2557} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HD2 )) ASSI { 2558} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HN )) 4.200 2.200 1.800 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.15576E-02 ppm1 9.567 ppm2 9.119 CV 1 ASSI { 2559} (( segid " " and resid 162 and name HN )) ( segid " " and resid 161 and name HD% ) 3.700 3.700 2.300 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.37613E-02 ppm1 9.563 ppm2 6.797 CV 1 ASSI { 2560} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 3.000 1.200 1.200 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.48864E-02 ppm1 9.563 ppm2 5.613 CV 1 ASSI { 2561} (( segid " " and resid 162 and name HN )) (( segid " " and resid 210 and name HA )) 4.300 2.400 1.700 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.18884E-02 ppm1 9.563 ppm2 5.387 CV 1 ASSI { 2562} (( segid " " and resid 162 and name HN )) (( segid " " and resid 211 and name HA )) 4.100 2.100 1.900 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.14477E-02 ppm1 9.565 ppm2 5.233 CV 1 OR { 2562} (( segid " " and resid 162 and name HN )) (( segid " " and resid 163 and name HA )) ASSI { 2563} (( segid " " and resid 162 and name HN )) (( segid " " and resid 212 and name HA )) 3.800 1.800 1.800 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.20180E-02 ppm1 9.564 ppm2 3.594 CV 1 ASSI { 2564} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB3 )) 2.700 0.900 0.900 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.57501E-02 ppm1 9.564 ppm2 1.779 CV 1 ASSI { 2565} (( segid " " and resid 162 and name HN )) ( segid " " and resid 213 and name HD2%) 3.500 1.500 1.500 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.58208E-02 ppm1 9.564 ppm2 0.809 CV 1 OR { 2565} (( segid " " and resid 162 and name HN )) ( segid " " and resid 164 and name HG2%) OR { 2565} (( segid " " and resid 162 and name HN )) ( segid " " and resid 183 and name HG2%) ASSI { 2566} (( segid " " and resid 162 and name HN )) ( segid " " and resid 210 and name HD1%) 4.500 2.600 1.500 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.24049E-02 ppm1 9.564 ppm2 0.608 CV 1 ASSI { 2568} (( segid " " and resid 162 and name HN )) (( segid " " and resid 211 and name HN )) 2.900 1.000 1.000 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.63702E-02 ppm1 9.562 ppm2 9.297 CV 1 ASSI { 2570} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.300 0.600 0.600 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.16677E-01 ppm1 9.562 ppm2 4.973 CV 1 ASSI { 2571} (( segid " " and resid 162 and name HN )) (( segid " " and resid 213 and name HA )) 4.100 2.100 1.900 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.12005E-02 ppm1 9.559 ppm2 4.172 CV 1 ASSI { 2572} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HD2 )) 5.200 3.400 0.800 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.98657E-03 ppm1 9.561 ppm2 3.164 CV 1 ASSI { 2573} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB3 )) 2.800 2.800 3.200 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.62819E-02 ppm1 9.562 ppm2 2.882 CV 1 ASSI { 2574} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB2 )) 3.700 1.700 1.700 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.43143E-02 ppm1 9.562 ppm2 2.618 CV 1 ASSI { 2575} (( segid " " and resid 162 and name HN )) (( segid " " and resid 211 and name HG3 )) 3.500 1.500 1.500 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.15137E-02 ppm1 9.562 ppm2 2.361 CV 1 ASSI { 2576} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HG2 )) 3.500 1.600 1.600 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.82839E-02 ppm1 9.563 ppm2 1.504 CV 1 OR { 2576} (( segid " " and resid 162 and name HN )) (( segid " " and resid 213 and name HB3 )) ASSI { 2577} (( segid " " and resid 162 and name HN )) (( segid " " and resid 213 and name HB2 )) 3.300 1.300 1.300 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.33543E-02 ppm1 9.563 ppm2 1.334 CV 1 ASSI { 2586} (( segid " " and resid 211 and name HN )) (( segid " " and resid 162 and name HG2 )) 4.000 2.000 2.000 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.22804E-02 ppm1 9.296 ppm2 1.501 CV 1 ASSI { 2590} (( segid " " and resid 211 and name HN )) (( segid " " and resid 164 and name HN )) 4.000 2.000 2.000 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.14650E-02 ppm1 9.290 ppm2 8.966 CV 1 ASSI { 2593} (( segid " " and resid 211 and name HN )) (( segid " " and resid 210 and name HA )) 2.300 0.700 0.700 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.17130E-01 ppm1 9.292 ppm2 5.390 CV 1 ASSI { 2594} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HA )) 2.800 1.000 1.000 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.70724E-02 ppm1 9.292 ppm2 5.222 CV 1 OR { 2594} (( segid " " and resid 211 and name HN )) (( segid " " and resid 163 and name HA )) ASSI { 2595} (( segid " " and resid 211 and name HN )) (( segid " " and resid 161 and name HA )) 4.000 2.000 2.000 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.21642E-02 ppm1 9.292 ppm2 4.973 CV 1 ASSI { 2596} (( segid " " and resid 211 and name HN )) (( segid " " and resid 212 and name HD3 )) 4.500 2.600 1.500 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.18367E-02 ppm1 9.293 ppm2 4.014 CV 1 ASSI { 2597} (( segid " " and resid 211 and name HN )) (( segid " " and resid 212 and name HD2 )) 5.000 3.100 1.000 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 9.291 ppm2 3.790 CV 1 ASSI { 2598} (( segid " " and resid 211 and name HN )) (( segid " " and resid 161 and name HB3 )) 3.100 3.100 2.900 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.31390E-02 ppm1 9.294 ppm2 2.884 CV 1 ASSI { 2599} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HG3 )) 3.000 1.200 1.200 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.68471E-02 ppm1 9.293 ppm2 2.359 CV 1 ASSI { 2600} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HG2 )) 3.500 1.500 1.500 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.41417E-02 ppm1 9.290 ppm2 2.174 CV 1 ASSI { 2601} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HB3 )) 2.800 1.000 1.000 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.45316E-02 ppm1 9.292 ppm2 2.080 CV 1 ASSI { 2602} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HB2 )) 3.700 1.700 1.700 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.43225E-02 ppm1 9.293 ppm2 1.848 CV 1 ASSI { 2603} (( segid " " and resid 211 and name HN )) (( segid " " and resid 210 and name HB3 )) 3.200 1.200 1.200 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.36871E-02 ppm1 9.291 ppm2 1.649 CV 1 ASSI { 2604} (( segid " " and resid 211 and name HN )) (( segid " " and resid 210 and name HB2 )) 3.600 1.600 1.600 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.68266E-02 ppm1 9.293 ppm2 1.331 CV 1 ASSI { 2605} (( segid " " and resid 211 and name HN )) ( segid " " and resid 164 and name HG2%) 3.500 1.500 1.500 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.74461E-02 ppm1 9.292 ppm2 0.787 CV 1 ASSI { 2606} (( segid " " and resid 211 and name HN )) ( segid " " and resid 210 and name HD1%) 3.600 1.600 1.600 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.72128E-02 ppm1 9.293 ppm2 0.621 CV 1 ASSI { 2625} (( segid " " and resid 237 and name HN )) (( segid " " and resid 247 and name HB2 )) 3.700 1.800 1.800 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.13031E-02 ppm1 8.544 ppm2 1.305 CV 1 ! OR { 2625} ! (( segid " " and resid 237 and name HN )) ! (( segid " " and resid 235 and name HD3 )) ASSI { 2626} (( segid " " and resid 237 and name HN )) (( segid " " and resid 247 and name HN )) 3.000 1.100 1.100 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.58463E-02 ppm1 8.538 ppm2 8.767 CV 1 ASSI { 2628} (( segid " " and resid 237 and name HN )) (( segid " " and resid 236 and name HN )) 3.900 1.900 1.900 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.32867E-02 ppm1 8.538 ppm2 8.093 CV 1 ASSI { 2630} (( segid " " and resid 237 and name HN )) (( segid " " and resid 238 and name HN )) 3.700 1.700 1.700 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.44896E-02 ppm1 8.539 ppm2 7.489 CV 1 ASSI { 2631} (( segid " " and resid 237 and name HN )) ( segid " " and resid 237 and name HD% ) 4.100 2.100 1.900 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.27105E-02 ppm1 8.541 ppm2 7.303 CV 1 ASSI { 2633} (( segid " " and resid 237 and name HN )) (( segid " " and resid 246 and name HA )) 4.500 2.500 1.500 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.16234E-02 ppm1 8.537 ppm2 5.472 CV 1 ASSI { 2634} (( segid " " and resid 237 and name HN )) (( segid " " and resid 237 and name HA )) 2.900 1.000 1.000 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.76639E-02 ppm1 8.538 ppm2 4.662 CV 1 ASSI { 2635} (( segid " " and resid 237 and name HN )) (( segid " " and resid 236 and name HA )) 2.100 0.500 0.500 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.36245E-01 ppm1 8.539 ppm2 4.413 CV 1 ASSI { 2636} (( segid " " and resid 237 and name HN )) (( segid " " and resid 237 and name HB3 )) 2.900 1.100 1.100 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.56601E-02 ppm1 8.539 ppm2 3.190 CV 1 ASSI { 2637} (( segid " " and resid 237 and name HN )) (( segid " " and resid 237 and name HB2 )) 3.200 1.300 1.300 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.48279E-02 ppm1 8.539 ppm2 2.968 CV 1 ASSI { 2638} (( segid " " and resid 237 and name HN )) (( segid " " and resid 247 and name HB3 )) 3.500 1.600 1.600 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.29052E-02 ppm1 8.537 ppm2 1.638 CV 1 ASSI { 2639} (( segid " " and resid 237 and name HN )) ( segid " " and resid 236 and name HB% ) 3.000 1.200 1.200 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.19565E-01 ppm1 8.539 ppm2 1.486 CV 1 ASSI { 2640} (( segid " " and resid 237 and name HN )) ( segid " " and resid 238 and name HG2%) 4.000 2.000 2.000 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.17048E-02 ppm1 8.538 ppm2 1.120 CV 1 ! OR { 2640} ! (( segid " " and resid 237 and name HN )) ! (( segid " " and resid 235 and name HG3 )) ASSI { 2641} (( segid " " and resid 237 and name HN )) ( segid " " and resid 248 and name HD1%) 4.200 2.200 1.800 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.26490E-02 ppm1 8.537 ppm2 0.844 CV 1 OR { 2641} (( segid " " and resid 237 and name HN )) ( segid " " and resid 248 and name HD2%) ASSI { 2642} (( segid " " and resid 237 and name HN )) ( segid " " and resid 247 and name HD2%) 4.700 2.800 1.300 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.13174E-02 ppm1 8.538 ppm2 0.627 CV 1 ASSI { 2643} (( segid " " and resid 237 and name HN )) ( segid " " and resid 247 and name HD1%) 4.600 2.600 1.400 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.12902E-02 ppm1 8.538 ppm2 -0.332 CV 1 ASSI { 2644} (( segid " " and resid 237 and name HN )) (( segid " " and resid 275 and name HZ )) 4.200 2.200 1.800 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 8.535 ppm2 6.484 CV 1 OR { 2644} (( segid " " and resid 237 and name HN )) ( segid " " and resid 275 and name HE% ) ! ASSI { 2645} ! (( segid " " and resid 237 and name HN )) ! (( segid " " and resid 235 and name HD3 )) ! 3.800 1.800 1.800 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.15534E-02 ppm1 8.535 ppm2 1.274 CV 1 ASSI { 2668} (( segid " " and resid 285 and name HN )) (( segid " " and resid 285 and name HA )) 2.700 0.900 0.900 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.10255E-01 ppm1 8.195 ppm2 4.345 CV 1 OR { 2668} (( segid " " and resid 285 and name HN )) (( segid " " and resid 283 and name HA )) ASSI { 2669} (( segid " " and resid 285 and name HN )) (( segid " " and resid 284 and name HA1 )) 2.600 0.800 0.800 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.19587E-01 ppm1 8.195 ppm2 3.939 CV 1 OR { 2669} (( segid " " and resid 285 and name HN )) (( segid " " and resid 284 and name HA2 )) ASSI { 2670} (( segid " " and resid 285 and name HN )) (( segid " " and resid 229 and name HB3 )) 3.000 3.000 3.000 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.52236E-02 ppm1 8.195 ppm2 2.278 CV 1 ASSI { 2671} (( segid " " and resid 285 and name HN )) (( segid " " and resid 285 and name HB3 )) 3.400 1.400 1.400 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.52312E-02 ppm1 8.195 ppm2 2.094 CV 1 ASSI { 2672} (( segid " " and resid 285 and name HN )) (( segid " " and resid 285 and name HB2 )) 2.100 0.600 0.600 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.11590E-01 ppm1 8.195 ppm2 1.904 CV 1 ASSI { 2678} (( segid " " and resid 283 and name HN )) (( segid " " and resid 232 and name HN )) 3.700 1.700 1.700 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.35157E-02 ppm1 7.907 ppm2 9.355 CV 1 ASSI { 2679} (( segid " " and resid 283 and name HN )) (( segid " " and resid 231 and name HN )) 3.900 1.900 1.900 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.18147E-02 ppm1 7.906 ppm2 8.875 CV 1 ASSI { 2680} (( segid " " and resid 283 and name HN )) (( segid " " and resid 284 and name HN )) 2.900 1.100 1.100 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.15123E-02 ppm1 7.905 ppm2 8.391 CV 1 ASSI { 2681} (( segid " " and resid 283 and name HN )) ( segid " " and resid 231 and name HD% ) 3.200 3.200 2.800 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.25858E-02 ppm1 7.908 ppm2 7.003 CV 1 ASSI { 2682} (( segid " " and resid 283 and name HN )) (( segid " " and resid 231 and name HA )) 2.200 0.600 0.600 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.21426E-01 ppm1 7.907 ppm2 5.070 CV 1 ASSI { 2683} (( segid " " and resid 283 and name HN )) (( segid " " and resid 283 and name HB2 )) 2.300 0.600 0.600 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.20869E-01 ppm1 7.907 ppm2 3.587 CV 1 OR { 2683} (( segid " " and resid 283 and name HN )) (( segid " " and resid 283 and name HB3 )) ASSI { 2684} (( segid " " and resid 283 and name HN )) (( segid " " and resid 282 and name HA )) 1.900 0.400 0.400 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.40703E-01 ppm1 7.907 ppm2 2.823 CV 1 ASSI { 2686} (( segid " " and resid 283 and name HN )) (( segid " " and resid 282 and name HG3 )) 3.100 1.200 1.200 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.11333E-01 ppm1 7.907 ppm2 1.106 CV 1 OR { 2686} (( segid " " and resid 283 and name HN )) (( segid " " and resid 282 and name HG2 )) ASSI { 2687} (( segid " " and resid 283 and name HN )) ( segid " " and resid 232 and name HG2%) 3.800 1.800 1.800 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.26997E-02 ppm1 7.908 ppm2 0.764 CV 1 ASSI { 2688} (( segid " " and resid 283 and name HN )) ( segid " " and resid 280 and name HD1%) 3.100 3.100 2.900 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.99869E-03 ppm1 7.911 ppm2 0.507 CV 1 OR { 2688} (( segid " " and resid 283 and name HN )) ( segid " " and resid 253 and name HG2%) OR { 2688} (( segid " " and resid 283 and name HN )) ( segid " " and resid 280 and name HD2%) ASSI { 2701} (( segid " " and resid 234 and name HN )) (( segid " " and resid 233 and name HN )) 3.500 1.600 1.600 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.14787E-02 ppm1 8.989 ppm2 8.414 CV 1 ASSI { 2702} (( segid " " and resid 234 and name HN )) (( segid " " and resid 235 and name HN )) 2.400 0.700 0.700 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.13261E-01 ppm1 8.989 ppm2 7.491 CV 1 ASSI { 2703} (( segid " " and resid 234 and name HN )) (( segid " " and resid 280 and name HA )) 3.500 1.600 1.600 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.44430E-02 ppm1 8.988 ppm2 5.474 CV 1 ASSI { 2704} (( segid " " and resid 234 and name HN )) (( segid " " and resid 232 and name HA )) 2.800 1.000 1.000 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.19120E-01 ppm1 8.989 ppm2 5.126 CV 1 OR { 2704} (( segid " " and resid 234 and name HN )) (( segid " " and resid 233 and name HA )) ASSI { 2706} (( segid " " and resid 234 and name HN )) (( segid " " and resid 234 and name HA )) 2.800 1.000 1.000 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.50859E-02 ppm1 8.991 ppm2 4.420 CV 1 ASSI { 2707} (( segid " " and resid 234 and name HN )) (( segid " " and resid 234 and name HB )) 4.000 2.000 2.000 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.32037E-02 ppm1 8.986 ppm2 2.057 CV 1 ASSI { 2708} (( segid " " and resid 234 and name HN )) ( segid " " and resid 233 and name HB% ) 2.800 1.000 1.000 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.72393E-02 ppm1 8.988 ppm2 1.411 CV 1 ASSI { 2709} (( segid " " and resid 234 and name HN )) (( segid " " and resid 234 and name HG13)) 3.100 1.200 1.200 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.59761E-02 ppm1 8.989 ppm2 1.125 CV 1 ! OR { 2709} ! (( segid " " and resid 234 and name HN )) ! (( segid " " and resid 235 and name HG3 )) ASSI { 2710} (( segid " " and resid 234 and name HN )) ( segid " " and resid 234 and name HG2%) 2.400 0.700 0.700 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.19172E-01 ppm1 8.989 ppm2 0.880 CV 1 ASSI { 2712} (( segid " " and resid 234 and name HN )) ( segid " " and resid 253 and name HG2%) 3.800 1.800 1.800 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.39827E-02 ppm1 8.986 ppm2 0.478 CV 1 ASSI { 2713} (( segid " " and resid 234 and name HN )) (( segid " " and resid 281 and name HN )) 4.900 3.000 1.100 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.11419E-02 ppm1 8.985 ppm2 9.270 CV 1 ASSI { 2715} (( segid " " and resid 234 and name HN )) (( segid " " and resid 232 and name HB )) 4.300 2.300 1.700 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.18738E-02 ppm1 8.986 ppm2 1.757 CV 1 ASSI { 2723} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HN )) 3.800 1.800 1.800 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.34876E-02 ppm1 8.206 ppm2 9.111 CV 1 ASSI { 2724} (( segid " " and resid 179 and name HN )) (( segid " " and resid 180 and name HN )) 4.000 2.000 2.000 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.41333E-02 ppm1 8.205 ppm2 9.002 CV 1 ASSI { 2726} (( segid " " and resid 179 and name HN )) (( segid " " and resid 165 and name HN )) 4.000 2.000 2.000 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.14460E-02 ppm1 8.202 ppm2 7.622 CV 1 ASSI { 2728} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HA )) 2.200 0.600 0.600 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.35191E-01 ppm1 8.205 ppm2 5.251 CV 1 ASSI { 2729} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HB )) 2.500 0.800 0.800 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.22258E-01 ppm1 8.205 ppm2 3.770 CV 1 OR { 2729} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HB3 )) ASSI { 2730} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HB2 )) 3.700 1.700 1.700 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.60097E-02 ppm1 8.205 ppm2 3.626 CV 1 ASSI { 2731} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HA )) 2.500 0.800 0.800 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.13988E-01 ppm1 8.205 ppm2 3.087 CV 1 ASSI { 2732} (( segid " " and resid 179 and name HN )) (( segid " " and resid 166 and name HB2 )) 4.200 2.200 1.800 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.26194E-02 ppm1 8.205 ppm2 2.756 CV 1 ASSI { 2733} (( segid " " and resid 179 and name HN )) (( segid " " and resid 177 and name HB2 )) 2.600 2.600 3.400 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.32292E-02 ppm1 8.205 ppm2 1.603 CV 1 ASSI { 2734} (( segid " " and resid 179 and name HN )) ( segid " " and resid 179 and name HG2%) 3.600 1.600 1.600 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.73881E-02 ppm1 8.205 ppm2 0.966 CV 1 ASSI { 2735} (( segid " " and resid 179 and name HN )) (( segid " " and resid 165 and name HA )) 4.000 2.000 2.000 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.21615E-02 ppm1 8.197 ppm2 4.479 CV 1 OR { 2735} (( segid " " and resid 179 and name HN )) (( segid " " and resid 180 and name HA2 )) ASSI { 2743} (( segid " " and resid 201 and name HN )) (( segid " " and resid 199 and name HN )) 3.000 3.000 3.000 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.13901E-02 ppm1 7.908 ppm2 9.206 CV 1 ASSI { 2744} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HN )) 3.100 1.200 1.200 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.64713E-02 ppm1 7.907 ppm2 8.811 CV 1 ASSI { 2750} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HA )) 3.100 1.200 1.200 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.13418E-01 ppm1 7.907 ppm2 4.327 CV 1 ASSI { 2751} (( segid " " and resid 201 and name HN )) (( segid " " and resid 199 and name HA )) 2.800 2.800 3.200 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.21474E-02 ppm1 7.908 ppm2 3.766 CV 1 ASSI { 2752} (( segid " " and resid 283 and name HN )) (( segid " " and resid 282 and name HE2 )) 4.300 2.400 1.700 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.17239E-02 ppm1 7.907 ppm2 2.996 CV 1 OR { 2752} (( segid " " and resid 283 and name HN )) (( segid " " and resid 282 and name HE3 )) ASSI { 2753} (( segid " " and resid 201 and name HN )) (( segid " " and resid 196 and name HB2 )) 3.400 3.400 2.600 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.12353E-02 ppm1 7.906 ppm2 2.488 CV 1 OR { 2753} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HG2 )) ASSI { 2754} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HB3 )) 3.200 1.300 1.300 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.43177E-02 ppm1 7.906 ppm2 2.267 CV 1 ASSI { 2755} (( segid " " and resid 201 and name HN )) (( segid " " and resid 197 and name HG2 )) 3.100 3.100 2.900 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.52751E-02 ppm1 7.908 ppm2 2.041 CV 1 ASSI { 2756} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HB3 )) 2.400 0.700 0.700 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.26622E-01 ppm1 7.907 ppm2 1.837 CV 1 OR { 2756} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HB2 )) OR { 2756} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HB2 )) ASSI { 2757} (( segid " " and resid 201 and name HN )) ( segid " " and resid 200 and name HB% ) 2.400 0.700 0.700 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.19829E-01 ppm1 7.907 ppm2 1.462 CV 1 ASSI { 2758} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HG2 )) 3.000 3.000 3.000 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.12234E-02 ppm1 7.905 ppm2 2.475 CV 1 ASSI { 2764} (( segid " " and resid 244 and name HN )) (( segid " " and resid 242 and name HN )) 4.700 2.800 1.300 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.99189E-03 ppm1 7.456 ppm2 8.848 CV 1 ASSI { 2765} (( segid " " and resid 244 and name HN )) (( segid " " and resid 240 and name HN )) 4.700 2.800 1.300 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.16107E-02 ppm1 7.460 ppm2 8.679 CV 1 OR { 2765} (( segid " " and resid 244 and name HN )) (( segid " " and resid 239 and name HN )) ASSI { 2766} (( segid " " and resid 244 and name HN )) (( segid " " and resid 245 and name HN )) 4.100 2.100 1.900 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.24806E-02 ppm1 7.456 ppm2 8.453 CV 1 ASSI { 2767} (( segid " " and resid 244 and name HN )) (( segid " " and resid 243 and name HN )) 2.500 0.800 0.800 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.16302E-01 ppm1 7.458 ppm2 8.190 CV 1 ASSI { 2771} (( segid " " and resid 244 and name HN )) (( segid " " and resid 241 and name HN )) 4.100 2.100 1.900 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.17054E-02 ppm1 7.457 ppm2 6.832 CV 1 ASSI { 2772} (( segid " " and resid 244 and name HN )) (( segid " " and resid 244 and name HA )) 2.800 1.000 1.000 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.74716E-02 ppm1 7.456 ppm2 5.401 CV 1 ASSI { 2773} (( segid " " and resid 244 and name HN )) (( segid " " and resid 243 and name HA )) 3.300 1.400 1.400 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.46876E-02 ppm1 7.458 ppm2 4.835 CV 1 ASSI { 2774} (( segid " " and resid 244 and name HN )) (( segid " " and resid 273 and name HA2 )) 3.600 1.600 1.600 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.30256E-02 ppm1 7.458 ppm2 4.002 CV 1 OR { 2774} (( segid " " and resid 244 and name HN )) (( segid " " and resid 273 and name HA1 )) ASSI { 2775} (( segid " " and resid 244 and name HN )) (( segid " " and resid 243 and name HB3 )) 4.100 2.100 1.900 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.16744E-02 ppm1 7.461 ppm2 3.368 CV 1 ASSI { 2776} (( segid " " and resid 244 and name HN )) (( segid " " and resid 243 and name HB2 )) 3.500 1.500 1.500 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.26319E-02 ppm1 7.460 ppm2 2.665 CV 1 ASSI { 2777} (( segid " " and resid 244 and name HN )) (( segid " " and resid 244 and name HB3 )) 2.700 0.900 0.900 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.16418E-01 ppm1 7.458 ppm2 2.448 CV 1 ASSI { 2778} (( segid " " and resid 244 and name HN )) (( segid " " and resid 244 and name HB2 )) 2.700 0.900 0.900 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.10917E-01 ppm1 7.458 ppm2 2.293 CV 1 ASSI { 2795} (( segid " " and resid 246 and name HN )) (( segid " " and resid 247 and name HN )) 4.200 2.200 1.800 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.22521E-02 ppm1 8.123 ppm2 8.745 CV 1 ASSI { 2798} (( segid " " and resid 246 and name HN )) (( segid " " and resid 246 and name HA )) 2.800 0.900 0.900 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.85445E-02 ppm1 8.122 ppm2 5.468 CV 1 ASSI { 2800} (( segid " " and resid 246 and name HN )) (( segid " " and resid 245 and name HA )) 2.100 0.500 0.500 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.47899E-01 ppm1 8.122 ppm2 4.388 CV 1 ASSI { 2802} (( segid " " and resid 246 and name HN )) (( segid " " and resid 246 and name HB3 )) 3.000 1.100 1.100 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.90955E-02 ppm1 8.122 ppm2 4.066 CV 1 ASSI { 2803} (( segid " " and resid 246 and name HN )) (( segid " " and resid 246 and name HB2 )) 2.800 1.000 1.000 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.13056E-01 ppm1 8.122 ppm2 3.861 CV 1 ASSI { 2804} (( segid " " and resid 246 and name HN )) (( segid " " and resid 245 and name HB )) 3.600 1.700 1.700 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.35404E-02 ppm1 8.123 ppm2 1.919 CV 1 ASSI { 2805} (( segid " " and resid 246 and name HN )) ( segid " " and resid 239 and name HB% ) 3.200 1.300 1.300 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.74430E-02 ppm1 8.123 ppm2 1.324 CV 1 OR { 2805} (( segid " " and resid 246 and name HN )) (( segid " " and resid 247 and name HB2 )) ASSI { 2806} (( segid " " and resid 246 and name HN )) ( segid " " and resid 238 and name HG2%) 4.400 2.400 1.600 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.20536E-02 ppm1 8.123 ppm2 1.114 CV 1 ASSI { 2807} (( segid " " and resid 246 and name HN )) ( segid " " and resid 271 and name HG2%) 4.300 2.300 1.700 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.16104E-02 ppm1 8.126 ppm2 0.996 CV 1 ASSI { 2808} (( segid " " and resid 246 and name HN )) ( segid " " and resid 245 and name HG2%) 2.300 0.700 0.700 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.17877E-01 ppm1 8.122 ppm2 0.842 CV 1 ASSI { 2809} (( segid " " and resid 246 and name HN )) ( segid " " and resid 266 and name HG2%) 5.100 3.200 0.900 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.19396E-02 ppm1 8.120 ppm2 0.566 CV 1 ASSI { 2810} (( segid " " and resid 246 and name HN )) (( segid " " and resid 245 and name HN )) 4.100 2.100 1.900 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.20066E-02 ppm1 8.118 ppm2 8.448 CV 1 ASSI { 2815} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HN )) 2.600 0.900 0.900 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.11777E-01 ppm1 7.907 ppm2 8.308 CV 1 ASSI { 2816} (( segid " " and resid 201 and name HN )) (( segid " " and resid 202 and name HN )) 3.900 1.900 1.900 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.33215E-02 ppm1 7.908 ppm2 8.143 CV 1 ASSI { 2817} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HA )) 2.600 0.800 0.800 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.13083E-01 ppm1 7.907 ppm2 4.561 CV 1 ASSI { 2819} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HE2 )) 3.800 1.800 1.800 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.12822E-02 ppm1 7.903 ppm2 3.032 CV 1 OR { 2819} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HE3 )) ASSI { 2822} (( segid " " and resid 257 and name HN )) (( segid " " and resid 256 and name HN )) 2.600 0.800 0.800 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.11560E-01 ppm1 7.718 ppm2 8.830 CV 1 ASSI { 2823} (( segid " " and resid 257 and name HN )) (( segid " " and resid 258 and name HN )) 4.100 2.100 1.900 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.14724E-02 ppm1 7.720 ppm2 8.620 CV 1 ASSI { 2824} (( segid " " and resid 257 and name HN )) (( segid " " and resid 265 and name HN )) 3.300 1.400 1.400 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.37725E-02 ppm1 7.719 ppm2 8.397 CV 1 ASSI { 2827} (( segid " " and resid 257 and name HN )) (( segid " " and resid 266 and name HA )) 4.100 2.100 1.900 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.20790E-02 ppm1 7.722 ppm2 5.230 CV 1 ASSI { 2828} (( segid " " and resid 257 and name HN )) (( segid " " and resid 257 and name HA )) 3.200 1.300 1.300 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.35478E-02 ppm1 7.719 ppm2 4.966 CV 1 ASSI { 2829} (( segid " " and resid 257 and name HN )) (( segid " " and resid 256 and name HA )) 3.400 1.500 1.500 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.26993E-02 ppm1 7.720 ppm2 4.495 CV 1 ASSI { 2830} (( segid " " and resid 257 and name HN )) (( segid " " and resid 255 and name HA )) 3.500 1.600 1.600 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.41993E-02 ppm1 7.719 ppm2 4.047 CV 1 ASSI { 2831} (( segid " " and resid 257 and name HN )) (( segid " " and resid 257 and name HB3 )) 3.200 1.300 1.300 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.39050E-02 ppm1 7.718 ppm2 3.143 CV 1 ASSI { 2832} (( segid " " and resid 257 and name HN )) (( segid " " and resid 264 and name HB3 )) 4.100 2.100 1.900 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.10136E-02 ppm1 7.719 ppm2 2.922 CV 1 OR { 2832} (( segid " " and resid 257 and name HN )) (( segid " " and resid 264 and name HB2 )) ASSI { 2833} (( segid " " and resid 257 and name HN )) (( segid " " and resid 257 and name HB2 )) 3.100 1.200 1.200 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.45113E-02 ppm1 7.719 ppm2 2.499 CV 1 ASSI { 2835} (( segid " " and resid 257 and name HN )) (( segid " " and resid 265 and name HB )) 3.300 1.400 1.400 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.78543E-02 ppm1 7.718 ppm2 1.807 CV 1 OR { 2835} (( segid " " and resid 257 and name HN )) (( segid " " and resid 255 and name HB )) ASSI { 2836} (( segid " " and resid 257 and name HN )) (( segid " " and resid 256 and name HB )) 2.700 0.900 0.900 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.69087E-02 ppm1 7.718 ppm2 1.497 CV 1 ASSI { 2837} (( segid " " and resid 257 and name HN )) (( segid " " and resid 256 and name HG13)) 4.300 2.300 1.700 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.28795E-02 ppm1 7.720 ppm2 1.084 CV 1 OR { 2837} (( segid " " and resid 257 and name HN )) ( segid " " and resid 272 and name HG2%) OR { 2837} (( segid " " and resid 257 and name HN )) (( segid " " and resid 266 and name HG12)) ASSI { 2838} (( segid " " and resid 257 and name HN )) (( segid " " and resid 256 and name HG12)) 4.100 2.100 1.900 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.31014E-02 ppm1 7.721 ppm2 1.015 CV 1 OR { 2838} (( segid " " and resid 257 and name HN )) ( segid " " and resid 272 and name HG2%) ASSI { 2839} (( segid " " and resid 257 and name HN )) ( segid " " and resid 265 and name HG1%) 3.500 1.500 1.500 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.35587E-02 ppm1 7.720 ppm2 0.825 CV 1 ASSI { 2840} (( segid " " and resid 257 and name HN )) ( segid " " and resid 265 and name HG2%) 3.200 1.300 1.300 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.32295E-02 ppm1 7.718 ppm2 0.725 CV 1 ASSI { 2841} (( segid " " and resid 257 and name HN )) ( segid " " and resid 256 and name HG2%) 3.800 1.800 1.800 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.30313E-02 ppm1 7.721 ppm2 0.498 CV 1 ASSI { 2842} (( segid " " and resid 257 and name HN )) (( segid " " and resid 258 and name HG3 )) 2.800 1.000 1.000 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.59063E-02 ppm1 7.719 ppm2 0.339 CV 1 ASSI { 2851} (( segid " " and resid 210 and name HN )) (( segid " " and resid 211 and name HN )) 4.300 2.300 1.700 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.18430E-02 ppm1 7.429 ppm2 9.292 CV 1 ASSI { 2854} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HA )) 2.800 0.900 0.900 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.79558E-02 ppm1 7.432 ppm2 5.393 CV 1 ASSI { 2855} (( segid " " and resid 210 and name HN )) (( segid " " and resid 163 and name HA )) 4.100 2.100 1.900 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.23523E-02 ppm1 7.430 ppm2 5.199 CV 1 ASSI { 2856} (( segid " " and resid 210 and name HN )) (( segid " " and resid 209 and name HB3 )) 3.600 1.700 1.700 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.24754E-02 ppm1 7.429 ppm2 3.199 CV 1 ASSI { 2857} (( segid " " and resid 210 and name HN )) (( segid " " and resid 209 and name HB2 )) 3.500 1.600 1.600 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.29819E-02 ppm1 7.430 ppm2 2.826 CV 1 ASSI { 2859} (( segid " " and resid 210 and name HN )) ( segid " " and resid 207 and name HB% ) 4.700 2.800 1.300 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.11738E-02 ppm1 7.429 ppm2 -0.385 CV 1 ASSI { 2860} (( segid " " and resid 210 and name HN )) (( segid " " and resid 164 and name HN )) 4.200 2.200 1.800 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.11718E-02 ppm1 7.426 ppm2 8.957 CV 1 ASSI { 2861} (( segid " " and resid 210 and name HN )) (( segid " " and resid 209 and name HN )) 2.500 0.800 0.800 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.13223E-01 ppm1 7.428 ppm2 7.606 CV 1 ASSI { 2862} (( segid " " and resid 210 and name HN )) ( segid " " and resid 209 and name HD% ) 2.700 2.700 3.300 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.26692E-02 ppm1 7.425 ppm2 7.174 CV 1 ASSI { 2864} (( segid " " and resid 210 and name HN )) (( segid " " and resid 209 and name HA )) 3.100 1.200 1.200 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.55619E-02 ppm1 7.428 ppm2 4.184 CV 1 ASSI { 2865} (( segid " " and resid 210 and name HN )) (( segid " " and resid 208 and name HA )) 3.300 1.400 1.400 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.35213E-02 ppm1 7.428 ppm2 3.999 CV 1 ASSI { 2866} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HB3 )) 3.100 1.200 1.200 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.14426E-01 ppm1 7.427 ppm2 1.651 CV 1 ASSI { 2867} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HB2 )) 2.200 2.200 3.800 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.18836E-01 ppm1 7.428 ppm2 1.332 CV 1 ASSI { 2868} (( segid " " and resid 210 and name HN )) ( segid " " and resid 210 and name HD1%) 4.000 2.000 2.000 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.95024E-02 ppm1 7.427 ppm2 0.610 CV 1 ASSI { 2881} (( segid " " and resid 183 and name HN )) (( segid " " and resid 163 and name HN )) 4.200 2.200 1.800 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.22695E-02 ppm1 9.162 ppm2 9.338 CV 1 ASSI { 2882} (( segid " " and resid 183 and name HN )) (( segid " " and resid 161 and name HB2 )) 3.800 1.800 1.800 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.17788E-02 ppm1 9.161 ppm2 2.625 CV 1 OR { 2882} (( segid " " and resid 183 and name HN )) (( segid " " and resid 196 and name HB3 )) ASSI { 2883} (( segid " " and resid 183 and name HN )) (( segid " " and resid 162 and name HB2 )) 4.400 2.400 1.600 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.13320E-02 ppm1 9.166 ppm2 1.581 CV 1 ASSI { 2884} (( segid " " and resid 183 and name HN )) ( segid " " and resid 213 and name HD1%) 3.000 1.100 1.100 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.12827E-01 ppm1 9.161 ppm2 0.870 CV 1 ASSI { 2887} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HN )) 4.300 2.300 1.700 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.16237E-02 ppm1 9.158 ppm2 8.736 CV 1 ASSI { 2888} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HN )) 4.300 2.300 1.700 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.20928E-02 ppm1 9.160 ppm2 8.134 CV 1 ASSI { 2889} (( segid " " and resid 183 and name HN )) (( segid " " and resid 160 and name HA )) 3.400 1.400 1.400 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.66996E-02 ppm1 9.159 ppm2 5.608 CV 1 ASSI { 2890} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HA )) 2.200 0.600 0.600 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.29500E-01 ppm1 9.160 ppm2 4.903 CV 1 ASSI { 2892} (( segid " " and resid 183 and name HN )) (( segid " " and resid 183 and name HB )) 3.200 1.200 1.200 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.53938E-02 ppm1 9.159 ppm2 1.930 CV 1 ASSI { 2893} (( segid " " and resid 183 and name HN )) (( segid " " and resid 213 and name HB3 )) 4.800 2.900 1.200 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 9.158 ppm2 1.502 CV 1 OR { 2893} (( segid " " and resid 183 and name HN )) (( segid " " and resid 213 and name HG )) OR { 2893} (( segid " " and resid 183 and name HN )) (( segid " " and resid 162 and name HG2 )) ASSI { 2894} (( segid " " and resid 183 and name HN )) ( segid " " and resid 160 and name HG2%) 3.900 1.900 1.900 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.17064E-02 ppm1 9.157 ppm2 1.189 CV 1 ASSI { 2895} (( segid " " and resid 183 and name HN )) ( segid " " and resid 183 and name HG2%) 2.500 0.800 0.800 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.21496E-01 ppm1 9.160 ppm2 0.791 CV 1 OR { 2895} (( segid " " and resid 183 and name HN )) ( segid " " and resid 183 and name HG1%) ASSI { 2896} (( segid " " and resid 183 and name HN )) ( segid " " and resid 210 and name HD1%) 4.200 2.200 1.800 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.20618E-02 ppm1 9.160 ppm2 0.614 CV 1 ASSI { 2909} (( segid " " and resid 184 and name HN )) (( segid " " and resid 197 and name HN )) 2.900 1.100 1.100 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.79394E-02 ppm1 8.736 ppm2 9.124 CV 1 OR { 2909} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HN )) ASSI { 2912} (( segid " " and resid 184 and name HN )) (( segid " " and resid 160 and name HA )) 4.800 2.900 1.200 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.12483E-02 ppm1 8.737 ppm2 5.565 CV 1 ASSI { 2913} (( segid " " and resid 184 and name HN )) (( segid " " and resid 196 and name HA )) 4.300 2.300 1.700 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.14910E-02 ppm1 8.736 ppm2 5.283 CV 1 ASSI { 2914} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HA )) 2.300 0.600 0.600 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.23937E-01 ppm1 8.736 ppm2 4.960 CV 1 ASSI { 2915} (( segid " " and resid 184 and name HN )) (( segid " " and resid 198 and name HA )) 3.900 1.900 1.900 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.14605E-02 ppm1 8.737 ppm2 4.635 CV 1 ASSI { 2916} (( segid " " and resid 184 and name HN )) (( segid " " and resid 198 and name HG3 )) 3.900 1.900 1.900 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.28325E-02 ppm1 8.737 ppm2 2.595 CV 1 ASSI { 2917} (( segid " " and resid 184 and name HN )) (( segid " " and resid 198 and name HG2 )) 4.100 2.100 1.900 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.25842E-02 ppm1 8.734 ppm2 2.465 CV 1 ASSI { 2918} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HG3 )) 3.300 1.400 1.400 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.83625E-02 ppm1 8.735 ppm2 2.290 CV 1 OR { 2918} (( segid " " and resid 184 and name HN )) (( segid " " and resid 197 and name HB3 )) ASSI { 2919} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HB )) 2.800 1.000 1.000 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.15999E-01 ppm1 8.736 ppm2 1.934 CV 1 ASSI { 2920} (( segid " " and resid 184 and name HN )) (( segid " " and resid 158 and name HB3 )) 4.500 2.500 1.500 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.17542E-02 ppm1 8.737 ppm2 1.629 CV 1 OR { 2920} (( segid " " and resid 184 and name HN )) (( segid " " and resid 202 and name HB3 )) OR { 2920} (( segid " " and resid 184 and name HN )) (( segid " " and resid 158 and name HG )) ASSI { 2921} (( segid " " and resid 184 and name HN )) ( segid " " and resid 160 and name HG2%) 4.200 2.200 1.800 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.17705E-02 ppm1 8.736 ppm2 1.197 CV 1 ASSI { 2922} (( segid " " and resid 184 and name HN )) ( segid " " and resid 183 and name HG2%) 3.000 1.100 1.100 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.11331E-01 ppm1 8.736 ppm2 0.776 CV 1 ASSI { 2933} (( segid " " and resid 270 and name HN )) (( segid " " and resid 271 and name HN )) 2.400 0.700 0.700 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.16559E-01 ppm1 8.616 ppm2 8.141 CV 1 ASSI { 2935} (( segid " " and resid 270 and name HN )) (( segid " " and resid 270 and name HA )) 2.400 0.700 0.700 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.16969E-01 ppm1 8.614 ppm2 4.535 CV 1 ASSI { 2936} (( segid " " and resid 270 and name HN )) (( segid " " and resid 271 and name HA )) 5.000 3.100 1.000 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.11924E-02 ppm1 8.615 ppm2 4.374 CV 1 ASSI { 2937} (( segid " " and resid 270 and name HN )) (( segid " " and resid 269 and name HB2 )) 2.500 2.500 3.500 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.37443E-01 ppm1 8.616 ppm2 2.876 CV 1 ASSI { 2938} (( segid " " and resid 270 and name HN )) (( segid " " and resid 271 and name HB )) 4.300 2.300 1.700 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.26838E-02 ppm1 8.613 ppm2 2.188 CV 1 OR { 2938} (( segid " " and resid 225 and name HN )) (( segid " " and resid 258 and name HA )) ASSI { 2939} (( segid " " and resid 270 and name HN )) (( segid " " and resid 267 and name HG2 )) 3.400 1.500 1.500 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.28576E-02 ppm1 8.614 ppm2 1.434 CV 1 OR { 2939} (( segid " " and resid 270 and name HN )) (( segid " " and resid 267 and name HG3 )) ASSI { 2940} (( segid " " and resid 225 and name HN )) (( segid " " and resid 257 and name HA )) 3.600 1.600 1.600 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.35267E-02 ppm1 8.605 ppm2 4.963 CV 1 ASSI { 2941} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HA )) 2.800 1.000 1.000 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.99449E-02 ppm1 8.605 ppm2 4.734 CV 1 ASSI { 2942} (( segid " " and resid 225 and name HN )) (( segid " " and resid 224 and name HA )) 2.100 0.600 0.600 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.28365E-01 ppm1 8.607 ppm2 4.090 CV 1 ASSI { 2943} (( segid " " and resid 270 and name HN )) (( segid " " and resid 267 and name HD3 )) 5.100 3.200 0.900 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.12417E-02 ppm1 8.608 ppm2 3.311 CV 1 OR { 2943} (( segid " " and resid 225 and name HN )) (( segid " " and resid 224 and name HD2 )) ASSI { 2944} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HB2 )) 2.700 0.900 0.900 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.80211E-02 ppm1 8.605 ppm2 2.569 CV 1 ASSI { 2945} (( segid " " and resid 225 and name HN )) (( segid " " and resid 259 and name HB2 )) 3.700 3.700 2.300 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.13051E-02 ppm1 8.605 ppm2 1.676 CV 1 OR { 2945} (( segid " " and resid 270 and name HN )) (( segid " " and resid 266 and name HB )) OR { 2945} (( segid " " and resid 270 and name HN )) (( segid " " and resid 254 and name HB2 )) ASSI { 2946} (( segid " " and resid 225 and name HN )) (( segid " " and resid 258 and name HD3 )) 3.000 1.100 1.100 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.58006E-02 ppm1 8.605 ppm2 1.192 CV 1 OR { 2946} (( segid " " and resid 225 and name HN )) (( segid " " and resid 258 and name HD2 )) ASSI { 2947} (( segid " " and resid 225 and name HN )) (( segid " " and resid 224 and name HB2 )) 3.500 1.500 1.500 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.69948E-02 ppm1 8.606 ppm2 0.967 CV 1 OR { 2947} (( segid " " and resid 270 and name HN )) ( segid " " and resid 271 and name HG2%) ASSI { 2948} (( segid " " and resid 225 and name HN )) (( segid " " and resid 257 and name HD2 )) 4.900 3.000 1.100 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.18031E-02 ppm1 8.601 ppm2 6.434 CV 1 ASSI { 2950} (( segid " " and resid 225 and name HN )) ( segid " " and resid 256 and name HG2%) 3.800 1.800 1.800 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.31601E-02 ppm1 8.603 ppm2 0.484 CV 1 OR { 2950} (( segid " " and resid 270 and name HN )) ( segid " " and resid 256 and name HG2%) ASSI { 2959} (( segid " " and resid 265 and name HN )) (( segid " " and resid 266 and name HN )) 4.400 2.400 1.600 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.13847E-02 ppm1 8.396 ppm2 9.455 CV 1 OR { 2959} (( segid " " and resid 265 and name HN )) (( segid " " and resid 275 and name HN )) ASSI { 2969} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HN )) 2.400 0.700 0.700 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.22965E-01 ppm1 8.347 ppm2 8.090 CV 1 ASSI { 2972} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HA )) 2.500 0.800 0.800 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.21513E-01 ppm1 8.347 ppm2 4.562 CV 1 ASSI { 2973} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HA )) 2.300 2.300 3.700 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.39172E-01 ppm1 8.347 ppm2 4.385 CV 1 OR { 2973} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HA )) ASSI { 2975} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HD2 )) 2.800 1.000 1.000 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.84244E-02 ppm1 8.347 ppm2 3.652 CV 1 OR { 2975} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HD3 )) ASSI { 2976} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HB3 )) 2.800 1.000 1.000 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.14961E-01 ppm1 8.346 ppm2 2.718 CV 1 ASSI { 2977} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HB2 )) 2.400 0.700 1.700 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.25688E-01 ppm1 8.346 ppm2 2.553 CV 1 ASSI { 2979} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HB3 )) 3.300 1.300 1.300 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.80349E-02 ppm1 8.346 ppm2 2.232 CV 1 OR { 2979} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HG2 )) ASSI { 2980} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HB2 )) 2.700 0.900 0.900 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.16345E-01 ppm1 8.347 ppm2 1.949 CV 1 OR { 2980} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HB2 )) ASSI { 2996} (( segid " " and resid 15 and name HN )) (( segid " " and resid 263 and name HE1 )) 4.200 2.200 1.800 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.10874E-02 ppm1 8.003 ppm2 9.704 CV 1 ASSI { 2999} (( segid " " and resid 15 and name HN )) (( segid " " and resid 263 and name HD1 )) 4.400 2.400 1.600 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.97050E-03 ppm1 7.999 ppm2 6.646 CV 1 ASSI { 3001} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 2.500 0.800 0.800 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.18752E-01 ppm1 8.000 ppm2 4.459 CV 1 ASSI { 3003} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HD2 )) 4.700 2.800 1.300 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.14614E-02 ppm1 8.000 ppm2 3.112 CV 1 ASSI { 3004} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB3 )) 3.300 1.300 1.300 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.52723E-02 ppm1 8.000 ppm2 2.352 CV 1 ASSI { 3005} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.200 1.300 1.300 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.71863E-02 ppm1 8.000 ppm2 2.024 CV 1 ASSI { 3007} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HD3 )) 4.200 2.200 1.800 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.25212E-02 ppm1 8.001 ppm2 1.584 CV 1 ASSI { 3008} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB3 )) 3.400 1.400 1.400 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.49275E-02 ppm1 7.999 ppm2 1.292 CV 1 ASSI { 3009} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.800 1.000 1.000 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.81669E-02 ppm1 8.000 ppm2 0.938 CV 1 ASSI { 3010} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HG3 )) 3.200 1.300 1.300 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.74258E-02 ppm1 8.001 ppm2 0.725 CV 1 OR { 3010} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HD2 )) ASSI { 3011} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HG2 )) 3.200 1.300 1.300 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.53532E-02 ppm1 8.001 ppm2 0.134 CV 1 ASSI { 3019} (( segid " " and resid 257 and name HN )) (( segid " " and resid 257 and name HD2 )) 4.600 2.700 1.400 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.10759E-02 ppm1 7.718 ppm2 6.423 CV 1 ASSI { 3035} (( segid " " and resid 267 and name HE )) (( segid " " and resid 267 and name HA )) 5.000 3.100 1.000 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.12747E-02 ppm1 7.036 ppm2 5.306 CV 1 ASSI { 3037} (( segid " " and resid 267 and name HE )) (( segid " " and resid 270 and name HA )) 4.100 2.100 1.900 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 7.035 ppm2 4.580 CV 1 ASSI { 3038} (( segid " " and resid 267 and name HE )) (( segid " " and resid 272 and name HB )) 4.300 2.300 1.700 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.10175E-02 ppm1 7.039 ppm2 3.871 CV 1 ASSI { 3039} (( segid " " and resid 267 and name HE )) (( segid " " and resid 267 and name HD3 )) 2.600 0.800 0.800 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.10864E-01 ppm1 7.036 ppm2 3.260 CV 1 ASSI { 3040} (( segid " " and resid 267 and name HE )) (( segid " " and resid 267 and name HD2 )) 2.800 1.000 1.000 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.80013E-02 ppm1 7.036 ppm2 3.055 CV 1 ASSI { 3041} (( segid " " and resid 267 and name HE )) (( segid " " and resid 271 and name HB )) 3.800 1.800 1.800 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.12503E-02 ppm1 7.034 ppm2 2.234 CV 1 OR { 3041} (( segid " " and resid 267 and name HE )) (( segid " " and resid 254 and name HG3 )) ASSI { 3042} (( segid " " and resid 267 and name HE )) (( segid " " and resid 254 and name HB3 )) 3.200 1.300 1.300 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.44783E-02 ppm1 7.037 ppm2 2.037 CV 1 OR { 3042} (( segid " " and resid 267 and name HE )) (( segid " " and resid 254 and name HG2 )) ASSI { 3044} (( segid " " and resid 267 and name HE )) (( segid " " and resid 254 and name HB2 )) 4.200 2.200 1.800 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.25735E-02 ppm1 7.036 ppm2 1.646 CV 1 ASSI { 3045} (( segid " " and resid 267 and name HE )) (( segid " " and resid 267 and name HG2 )) 2.500 0.800 0.800 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.18154E-01 ppm1 7.036 ppm2 1.426 CV 1 OR { 3045} (( segid " " and resid 267 and name HE )) (( segid " " and resid 267 and name HB2 )) OR { 3045} (( segid " " and resid 267 and name HE )) (( segid " " and resid 267 and name HG3 )) ASSI { 3046} (( segid " " and resid 267 and name HE )) ( segid " " and resid 272 and name HG2%) 4.700 2.700 1.300 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.23448E-02 ppm1 7.036 ppm2 1.018 CV 1 OR { 3046} (( segid " " and resid 267 and name HE )) (( segid " " and resid 256 and name HG12)) ASSI { 3047} (( segid " " and resid 267 and name HE )) ( segid " " and resid 256 and name HD1%) 3.400 1.400 1.400 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.30598E-02 ppm1 7.038 ppm2 0.625 CV 1 ASSI { 3048} (( segid " " and resid 267 and name HE )) ( segid " " and resid 256 and name HG2%) 5.000 3.100 1.000 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.13857E-02 ppm1 7.038 ppm2 0.484 CV 1 ASSI { 3090} (( segid " " and resid 265 and name HN )) (( segid " " and resid 265 and name HA )) 3.000 1.100 1.100 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.39845E-02 ppm1 8.395 ppm2 4.290 CV 1 ASSI { 3091} (( segid " " and resid 265 and name HN )) ( segid " " and resid 255 and name HG2%) 3.500 1.500 1.500 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.14989E-02 ppm1 8.395 ppm2 0.341 CV 1 OR { 3091} (( segid " " and resid 265 and name HN )) (( segid " " and resid 258 and name HG3 )) ASSI { 3092} (( segid " " and resid 265 and name HN )) (( segid " " and resid 266 and name HN )) 4.300 2.300 1.700 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.15791E-02 ppm1 8.393 ppm2 9.469 CV 1 OR { 3092} (( segid " " and resid 265 and name HN )) (( segid " " and resid 275 and name HN )) ASSI { 3093} (( segid " " and resid 265 and name HN )) (( segid " " and resid 257 and name HN )) 3.300 1.400 1.400 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.37031E-02 ppm1 8.394 ppm2 7.717 CV 1 ASSI { 3094} (( segid " " and resid 265 and name HN )) (( segid " " and resid 264 and name HD1 )) 4.300 2.400 1.700 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.27572E-02 ppm1 8.393 ppm2 7.153 CV 1 ASSI { 3096} (( segid " " and resid 265 and name HN )) (( segid " " and resid 264 and name HA )) 2.400 0.700 0.700 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.13041E-01 ppm1 8.394 ppm2 5.149 CV 1 ASSI { 3097} (( segid " " and resid 265 and name HN )) (( segid " " and resid 257 and name HB3 )) 3.800 1.800 1.800 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.39879E-02 ppm1 8.395 ppm2 3.146 CV 1 ASSI { 3098} (( segid " " and resid 265 and name HN )) (( segid " " and resid 264 and name HB2 )) 3.500 1.500 1.500 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.63149E-02 ppm1 8.394 ppm2 2.917 CV 1 ASSI { 3099} (( segid " " and resid 265 and name HN )) (( segid " " and resid 257 and name HB2 )) 5.000 3.100 1.000 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.31687E-02 ppm1 8.392 ppm2 2.498 CV 1 ASSI { 3100} (( segid " " and resid 265 and name HN )) (( segid " " and resid 265 and name HB )) 3.400 1.400 1.400 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.75428E-02 ppm1 8.394 ppm2 1.804 CV 1 ASSI { 3101} (( segid " " and resid 265 and name HN )) (( segid " " and resid 259 and name HG )) 3.100 3.100 2.900 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.13998E-02 ppm1 8.392 ppm2 1.215 CV 1 OR { 3101} (( segid " " and resid 265 and name HN )) (( segid " " and resid 277 and name HB2 )) OR { 3101} (( segid " " and resid 265 and name HN )) (( segid " " and resid 258 and name HD2 )) ASSI { 3102} (( segid " " and resid 265 and name HN )) ( segid " " and resid 259 and name HD1%) 3.400 1.500 1.500 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.33512E-02 ppm1 8.392 ppm2 1.052 CV 1 OR { 3102} (( segid " " and resid 265 and name HN )) (( segid " " and resid 266 and name HG12)) ASSI { 3103} (( segid " " and resid 265 and name HN )) ( segid " " and resid 265 and name HG1%) 2.500 0.800 0.800 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.86652E-02 ppm1 8.394 ppm2 0.809 CV 1 ASSI { 3104} (( segid " " and resid 265 and name HN )) ( segid " " and resid 259 and name HD2%) 3.800 1.800 1.800 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.30831E-02 ppm1 8.393 ppm2 0.551 CV 1 OR { 3104} (( segid " " and resid 265 and name HN )) ( segid " " and resid 256 and name HG2%) OR { 3104} (( segid " " and resid 265 and name HN )) ( segid " " and resid 280 and name HD1%) ASSI { 3105} (( segid " " and resid 265 and name HN )) (( segid " " and resid 273 and name HN )) 3.700 1.800 2.800 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.14799E-02 ppm1 8.388 ppm2 8.599 CV 1 ASSI { 3106} (( segid " " and resid 265 and name HN )) (( segid " " and resid 256 and name HB )) 5.200 3.400 0.800 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.10465E-02 ppm1 8.386 ppm2 1.508 CV 1 ASSI { 3107} (( segid " " and resid 254 and name HN )) (( segid " " and resid 255 and name HN )) 4.100 2.100 1.900 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.12618E-02 ppm1 8.309 ppm2 9.647 CV 1 ASSI { 3108} (( segid " " and resid 254 and name HN )) (( segid " " and resid 253 and name HN )) 3.800 1.800 1.800 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.25922E-02 ppm1 8.312 ppm2 8.896 CV 1 OR { 3108} (( segid " " and resid 254 and name HN )) (( segid " " and resid 231 and name HN )) ASSI { 3111} (( segid " " and resid 254 and name HN )) (( segid " " and resid 266 and name HA )) 4.300 2.300 1.700 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 8.311 ppm2 5.242 CV 1 ASSI { 3112} (( segid " " and resid 254 and name HN )) (( segid " " and resid 254 and name HA )) 2.900 1.000 1.000 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.68022E-02 ppm1 8.309 ppm2 4.980 CV 1 OR { 3112} (( segid " " and resid 254 and name HN )) (( segid " " and resid 230 and name HA )) ASSI { 3113} (( segid " " and resid 254 and name HN )) (( segid " " and resid 253 and name HA )) 2.400 0.700 0.700 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.20158E-01 ppm1 8.309 ppm2 4.826 CV 1 ASSI { 3114} (( segid " " and resid 254 and name HN )) (( segid " " and resid 268 and name HA )) 3.600 1.700 1.700 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.16984E-02 ppm1 8.309 ppm2 4.594 CV 1 ASSI { 3116} (( segid " " and resid 254 and name HN )) (( segid " " and resid 254 and name HG3 )) 3.500 1.600 1.600 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.58801E-02 ppm1 8.309 ppm2 2.240 CV 1 ASSI { 3117} (( segid " " and resid 254 and name HN )) (( segid " " and resid 253 and name HB )) 2.200 0.600 0.600 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.28695E-01 ppm1 8.309 ppm2 2.036 CV 1 OR { 3117} (( segid " " and resid 254 and name HN )) (( segid " " and resid 254 and name HB3 )) ASSI { 3118} (( segid " " and resid 254 and name HN )) (( segid " " and resid 268 and name HB3 )) 4.600 2.700 1.400 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.22622E-02 ppm1 8.308 ppm2 1.795 CV 1 ASSI { 3119} (( segid " " and resid 254 and name HN )) (( segid " " and resid 254 and name HB2 )) 3.100 1.200 1.200 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.72936E-02 ppm1 8.310 ppm2 1.646 CV 1 ASSI { 3120} (( segid " " and resid 254 and name HN )) (( segid " " and resid 268 and name HB2 )) 3.800 1.800 1.800 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.38255E-02 ppm1 8.311 ppm2 1.427 CV 1 OR { 3120} (( segid " " and resid 254 and name HN )) (( segid " " and resid 267 and name HB2 )) OR { 3120} (( segid " " and resid 254 and name HN )) (( segid " " and resid 268 and name HG3 )) ASSI { 3121} (( segid " " and resid 254 and name HN )) (( segid " " and resid 266 and name HG12)) 4.900 3.000 1.100 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 8.312 ppm2 1.015 CV 1 OR { 3121} (( segid " " and resid 254 and name HN )) (( segid " " and resid 256 and name HG12)) OR { 3121} (( segid " " and resid 254 and name HN )) ( segid " " and resid 272 and name HG2%) ASSI { 3122} (( segid " " and resid 254 and name HN )) ( segid " " and resid 245 and name HG2%) 4.600 2.600 1.400 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.21653E-02 ppm1 8.309 ppm2 0.857 CV 1 ASSI { 3123} (( segid " " and resid 254 and name HN )) ( segid " " and resid 256 and name HD1%) 3.300 1.400 1.400 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.69678E-02 ppm1 8.310 ppm2 0.680 CV 1 ASSI { 3124} (( segid " " and resid 254 and name HN )) ( segid " " and resid 253 and name HG2%) 3.800 1.800 1.800 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.72729E-02 ppm1 8.310 ppm2 0.469 CV 1 ASSI { 3125} (( segid " " and resid 254 and name HN )) (( segid " " and resid 267 and name HN )) 3.100 1.200 1.200 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.50789E-02 ppm1 8.307 ppm2 9.269 CV 1 ASSI { 3126} (( segid " " and resid 254 and name HN )) (( segid " " and resid 271 and name HN )) 4.400 2.400 1.600 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.18541E-02 ppm1 8.305 ppm2 8.137 CV 1 OR { 3126} (( segid " " and resid 254 and name HN )) (( segid " " and resid 246 and name HN )) ASSI { 3127} (( segid " " and resid 254 and name HN )) (( segid " " and resid 255 and name HA )) 4.400 2.400 1.600 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 8.308 ppm2 4.038 CV 1 ASSI { 3134} (( segid " " and resid 249 and name HN )) (( segid " " and resid 250 and name HA2 )) 4.200 2.200 1.800 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.13172E-02 ppm1 8.185 ppm2 4.270 CV 1 ASSI { 3152} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG2 )) 2.900 1.000 1.000 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.56784E-02 ppm1 7.466 ppm2 1.395 CV 1 ASSI { 3153} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HB% ) 3.000 1.100 1.100 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.97870E-02 ppm1 7.466 ppm2 1.258 CV 1 ASSI { 3175} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HN )) 4.600 2.700 1.400 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.15241E-02 ppm1 8.966 ppm2 8.128 CV 1 ASSI { 3176} (( segid " " and resid 164 and name HN )) ( segid " " and resid 20 and name HB% ) 4.600 2.600 1.400 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.14260E-02 ppm1 8.967 ppm2 1.267 CV 1 ASSI { 3177} (( segid " " and resid 177 and name HN )) (( segid " " and resid 167 and name HN )) 2.900 1.100 1.100 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.60126E-02 ppm1 8.965 ppm2 9.139 CV 1 ASSI { 3181} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HA )) 3.000 1.100 1.100 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.54019E-02 ppm1 8.965 ppm2 4.880 CV 1 ASSI { 3182} (( segid " " and resid 177 and name HN )) (( segid " " and resid 166 and name HA )) 3.900 1.900 1.900 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.31547E-02 ppm1 8.963 ppm2 4.746 CV 1 OR { 3182} (( segid " " and resid 177 and name HN )) (( segid " " and resid 167 and name HA )) ASSI { 3183} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HA )) 2.200 0.600 0.600 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.23008E-01 ppm1 8.964 ppm2 4.581 CV 1 ASSI { 3184} (( segid " " and resid 177 and name HN )) (( segid " " and resid 167 and name HB2 )) 3.700 1.700 1.700 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.62846E-02 ppm1 8.964 ppm2 2.606 CV 1 ASSI { 3185} (( segid " " and resid 177 and name HN )) (( segid " " and resid 168 and name HB3 )) 3.300 1.400 1.400 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.74556E-02 ppm1 8.964 ppm2 1.760 CV 1 OR { 3185} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HG )) ASSI { 3186} (( segid " " and resid 177 and name HN )) ( segid " " and resid 176 and name HB% ) 2.800 1.000 1.000 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.14638E-01 ppm1 8.964 ppm2 1.429 CV 1 ASSI { 3194} (( segid " " and resid 249 and name HN )) (( segid " " and resid 251 and name HG3 )) 5.300 3.500 0.700 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.12639E-02 ppm1 8.197 ppm2 2.405 CV 1 ASSI { 3195} (( segid " " and resid 249 and name HN )) (( segid " " and resid 248 and name HN )) 3.700 1.700 1.700 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.24324E-02 ppm1 8.189 ppm2 9.108 CV 1 ASSI { 3196} (( segid " " and resid 249 and name HN )) (( segid " " and resid 250 and name HN )) 3.800 1.800 1.800 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.23547E-02 ppm1 8.191 ppm2 8.891 CV 1 ASSI { 3197} (( segid " " and resid 249 and name HN )) (( segid " " and resid 237 and name HN )) 3.100 3.100 2.900 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.10804E-02 ppm1 8.190 ppm2 8.557 CV 1 ASSI { 3200} (( segid " " and resid 249 and name HN )) (( segid " " and resid 251 and name HN )) 4.200 2.200 1.800 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.11104E-02 ppm1 8.189 ppm2 7.610 CV 1 ASSI { 3201} (( segid " " and resid 249 and name HN )) (( segid " " and resid 248 and name HA )) 2.200 0.600 1.600 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.33711E-01 ppm1 8.191 ppm2 4.437 CV 1 OR { 3201} (( segid " " and resid 249 and name HN )) (( segid " " and resid 236 and name HA )) ASSI { 3202} (( segid " " and resid 249 and name HN )) (( segid " " and resid 235 and name HA )) 4.500 2.500 1.500 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.18392E-02 ppm1 8.190 ppm2 4.156 CV 1 ASSI { 3203} (( segid " " and resid 249 and name HN )) (( segid " " and resid 249 and name HA )) 2.600 0.900 0.900 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.11128E-01 ppm1 8.191 ppm2 3.264 CV 1 ASSI { 3204} (( segid " " and resid 249 and name HN )) (( segid " " and resid 249 and name HG3 )) 3.700 1.800 1.800 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.70895E-02 ppm1 8.190 ppm2 1.978 CV 1 OR { 3204} (( segid " " and resid 249 and name HN )) (( segid " " and resid 249 and name HG2 )) ASSI { 3206} (( segid " " and resid 249 and name HN )) (( segid " " and resid 248 and name HG )) 3.600 1.600 1.600 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.60604E-02 ppm1 8.190 ppm2 1.635 CV 1 ASSI { 3207} (( segid " " and resid 249 and name HN )) ( segid " " and resid 236 and name HB% ) 2.100 0.500 0.500 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.44339E-01 ppm1 8.190 ppm2 1.490 CV 1 OR { 3207} (( segid " " and resid 249 and name HN )) (( segid " " and resid 248 and name HB3 )) ! ASSI { 3208} ! (( segid " " and resid 249 and name HN )) ! (( segid " " and resid 235 and name HD3 )) ! 4.200 2.300 1.800 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.14202E-02 ppm1 8.189 ppm2 1.335 CV 1 ! OR { 3208} ! (( segid " " and resid 249 and name HN )) ! (( segid " " and resid 247 and name HB2 )) ASSI { 3209} (( segid " " and resid 249 and name HN )) ( segid " " and resid 248 and name HD1%) 2.700 0.900 0.900 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.14474E-01 ppm1 8.190 ppm2 0.838 CV 1 ASSI { 3210} (( segid " " and resid 272 and name HN )) (( segid " " and resid 273 and name HN )) 4.300 2.300 1.700 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.20426E-02 ppm1 8.139 ppm2 8.565 CV 1 ASSI { 3211} (( segid " " and resid 272 and name HN )) (( segid " " and resid 272 and name HA )) 2.700 0.900 0.900 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.88227E-02 ppm1 8.138 ppm2 5.558 CV 1 ASSI { 3212} (( segid " " and resid 272 and name HN )) (( segid " " and resid 267 and name HA )) 4.200 2.200 1.800 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.14840E-02 ppm1 8.135 ppm2 5.303 CV 1 ASSI { 3213} (( segid " " and resid 272 and name HN )) (( segid " " and resid 271 and name HA )) 2.000 0.500 0.500 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.64775E-01 ppm1 8.138 ppm2 4.339 CV 1 ASSI { 3214} (( segid " " and resid 272 and name HN )) (( segid " " and resid 272 and name HB )) 3.000 1.100 1.100 peak 3214 spectrum 1 weight 0.10000E+01 volume 0.10386E-01 ppm1 8.139 ppm2 3.890 CV 1 ASSI { 3215} (( segid " " and resid 272 and name HN )) (( segid " " and resid 271 and name HB )) 3.400 1.400 1.400 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.75232E-02 ppm1 8.138 ppm2 2.185 CV 1 ASSI { 3216} (( segid " " and resid 272 and name HN )) (( segid " " and resid 256 and name HG12)) 2.400 2.400 3.600 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.17806E-01 ppm1 8.139 ppm2 0.969 CV 1 OR { 3216} (( segid " " and resid 272 and name HN )) ( segid " " and resid 271 and name HG2%) ASSI { 3229} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HB3 )) 3.000 1.100 1.100 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.53593E-02 ppm1 7.549 ppm2 2.632 CV 1 ASSI { 3230} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HG3 )) 4.300 2.300 1.700 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.21292E-02 ppm1 7.553 ppm2 2.357 CV 1 ASSI { 3231} (( segid " " and resid 175 and name HN )) ( segid " " and resid 205 and name HG2%) 3.300 1.400 1.400 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.36231E-02 ppm1 7.550 ppm2 0.972 CV 1 ASSI { 3232} (( segid " " and resid 175 and name HN )) (( segid " " and resid 204 and name HN )) 3.800 1.800 1.800 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.16453E-02 ppm1 7.546 ppm2 8.747 CV 1 ASSI { 3235} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HA )) 3.000 1.100 1.100 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.50841E-02 ppm1 7.548 ppm2 5.398 CV 1 ASSI { 3236} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HA )) 3.100 1.200 1.200 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.44787E-02 ppm1 7.549 ppm2 4.599 CV 1 ASSI { 3237} (( segid " " and resid 175 and name HN )) (( segid " " and resid 203 and name HA2 )) 4.000 2.000 2.000 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.10868E-02 ppm1 7.544 ppm2 3.876 CV 1 ASSI { 3238} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HB2 )) 4.000 2.000 2.000 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.34342E-02 ppm1 7.548 ppm2 2.109 CV 1 ASSI { 3239} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HB3 )) 3.000 1.100 1.100 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.46822E-02 ppm1 7.548 ppm2 1.707 CV 1 ASSI { 3240} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HB2 )) 3.700 1.700 1.700 peak 3240 spectrum 1 weight 0.10000E+01 volume 0.28951E-02 ppm1 7.546 ppm2 1.438 CV 1 ASSI { 3241} (( segid " " and resid 175 and name HN )) ( segid " " and resid 205 and name HG2%) 3.300 1.400 1.400 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.36117E-02 ppm1 7.548 ppm2 0.975 CV 1 ASSI { 3245} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HN )) 4.600 2.600 1.400 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.14446E-02 ppm1 7.466 ppm2 9.204 CV 1 ASSI { 3246} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 3.000 1.100 1.100 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.53792E-02 ppm1 7.464 ppm2 8.207 CV 1 ASSI { 3247} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 2.300 0.700 0.700 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.20993E-01 ppm1 7.466 ppm2 7.817 CV 1 ASSI { 3250} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 2.800 0.900 0.900 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.15941E-01 ppm1 7.466 ppm2 4.274 CV 1 ASSI { 3251} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.700 0.900 0.900 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.10436E-01 ppm1 7.466 ppm2 4.100 CV 1 ASSI { 3252} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HA )) 3.700 1.700 1.700 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.39174E-02 ppm1 7.466 ppm2 3.690 CV 1 ASSI { 3253} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HD2 )) 2.800 2.800 3.200 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.18893E-01 ppm1 7.466 ppm2 1.668 CV 1 OR { 3253} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HD3 )) ASSI { 3254} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HD2 )) 3.700 1.700 1.700 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.21904E-02 ppm1 7.462 ppm2 2.946 CV 1 ASSI { 3257} (( segid " " and resid 11 and name HN )) (( segid " " and resid 193 and name HE1 )) 4.500 2.500 1.500 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.15623E-02 ppm1 7.379 ppm2 10.147 CV 1 ASSI { 3258} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HD21)) 3.700 1.700 1.700 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.17917E-02 ppm1 7.381 ppm2 7.657 CV 1 ASSI { 3273} (( segid " " and resid 274 and name HN )) (( segid " " and resid 275 and name HN )) 4.000 2.000 2.000 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.17648E-02 ppm1 9.134 ppm2 9.438 CV 1 OR { 3273} (( segid " " and resid 274 and name HN )) (( segid " " and resid 266 and name HN )) ASSI { 3275} (( segid " " and resid 274 and name HN )) (( segid " " and resid 245 and name HN )) 4.100 2.100 1.900 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.23880E-02 ppm1 9.135 ppm2 8.466 CV 1 ASSI { 3276} (( segid " " and resid 274 and name HN )) ( segid " " and resid 274 and name HD% ) 3.200 1.200 1.200 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.59992E-02 ppm1 9.135 ppm2 7.025 CV 1 OR { 3276} (( segid " " and resid 274 and name HN )) ( segid " " and resid 275 and name HD% ) ASSI { 3277} (( segid " " and resid 274 and name HN )) (( segid " " and resid 274 and name HA )) 3.000 1.200 1.200 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.36838E-02 ppm1 9.135 ppm2 5.716 CV 1 ASSI { 3278} (( segid " " and resid 274 and name HN )) (( segid " " and resid 244 and name HA )) 2.400 0.700 0.700 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.93884E-02 ppm1 9.135 ppm2 5.402 CV 1 ASSI { 3279} (( segid " " and resid 274 and name HN )) (( segid " " and resid 273 and name HA2 )) 2.500 0.800 0.800 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.13842E-01 ppm1 9.135 ppm2 3.991 CV 1 OR { 3279} (( segid " " and resid 274 and name HN )) (( segid " " and resid 273 and name HA1 )) ASSI { 3280} (( segid " " and resid 274 and name HN )) (( segid " " and resid 274 and name HB3 )) 3.800 1.800 1.800 peak 3280 spectrum 1 weight 0.10000E+01 volume 0.33887E-02 ppm1 9.136 ppm2 3.186 CV 1 ASSI { 3281} (( segid " " and resid 274 and name HN )) (( segid " " and resid 274 and name HB2 )) 2.700 0.900 0.900 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.66757E-02 ppm1 9.135 ppm2 2.711 CV 1 ASSI { 3282} (( segid " " and resid 274 and name HN )) (( segid " " and resid 244 and name HB3 )) 4.800 2.900 1.200 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.20616E-02 ppm1 9.137 ppm2 2.451 CV 1 ASSI { 3283} (( segid " " and resid 274 and name HN )) (( segid " " and resid 244 and name HB2 )) 4.900 2.900 1.100 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.20642E-02 ppm1 9.134 ppm2 2.279 CV 1 OR { 3283} (( segid " " and resid 274 and name HN )) (( segid " " and resid 244 and name HG2 )) ASSI { 3285} (( segid " " and resid 274 and name HN )) ( segid " " and resid 245 and name HG1%) 3.200 1.300 1.300 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.49642E-02 ppm1 9.133 ppm2 0.741 CV 1 ASSI { 3290} (( segid " " and resid 164 and name HN )) (( segid " " and resid 165 and name HN )) 2.500 0.800 0.800 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.95594E-02 ppm1 8.966 ppm2 7.650 CV 1 ASSI { 3291} (( segid " " and resid 164 and name HN )) (( segid " " and resid 210 and name HA )) 3.400 1.500 1.500 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.35756E-02 ppm1 8.967 ppm2 5.382 CV 1 ASSI { 3292} (( segid " " and resid 164 and name HN )) (( segid " " and resid 209 and name HB3 )) 4.400 2.400 1.600 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.11406E-02 ppm1 8.968 ppm2 3.193 CV 1 OR { 3292} (( segid " " and resid 164 and name HN )) (( segid " " and resid 162 and name HD2 )) OR { 3292} (( segid " " and resid 164 and name HN )) (( segid " " and resid 162 and name HD3 )) ASSI { 3293} (( segid " " and resid 164 and name HN )) (( segid " " and resid 179 and name HA )) 4.100 2.100 1.900 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.11433E-02 ppm1 8.968 ppm2 3.106 CV 1 ASSI { 3294} (( segid " " and resid 164 and name HN )) (( segid " " and resid 211 and name HG3 )) 4.700 2.700 1.300 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 8.971 ppm2 2.349 CV 1 OR { 3294} (( segid " " and resid 177 and name HN )) (( segid " " and resid 175 and name HG3 )) ASSI { 3295} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA )) 2.300 0.600 0.600 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.18563E-01 ppm1 8.965 ppm2 5.188 CV 1 ASSI { 3296} (( segid " " and resid 177 and name HN )) (( segid " " and resid 168 and name HA )) 3.100 1.200 1.200 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.54432E-02 ppm1 8.964 ppm2 4.331 CV 1 OR { 3296} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HA )) ASSI { 3297} (( segid " " and resid 164 and name HN )) (( segid " " and resid 209 and name HA )) 4.400 2.400 1.600 peak 3297 spectrum 1 weight 0.10000E+01 volume 0.12324E-02 ppm1 8.964 ppm2 4.185 CV 1 ASSI { 3298} (( segid " " and resid 164 and name HN )) (( segid " " and resid 211 and name HB3 )) 3.400 1.500 1.500 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.27625E-02 ppm1 8.964 ppm2 2.060 CV 1 OR { 3298} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HB )) ASSI { 3299} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HB2 )) 2.600 0.900 0.900 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.85812E-02 ppm1 8.965 ppm2 1.610 CV 1 ASSI { 3311} (( segid " " and resid 202 and name HN )) (( segid " " and resid 198 and name HN )) 4.500 2.500 1.500 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.11609E-02 ppm1 8.154 ppm2 8.841 CV 1 ASSI { 3313} (( segid " " and resid 202 and name HN )) (( segid " " and resid 203 and name HN )) 3.500 1.500 1.500 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.63815E-02 ppm1 8.156 ppm2 7.879 CV 1 OR { 3313} (( segid " " and resid 202 and name HN )) (( segid " " and resid 201 and name HN )) ASSI { 3315} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HA )) 2.800 1.000 1.000 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.99029E-02 ppm1 8.157 ppm2 5.158 CV 1 OR { 3315} (( segid " " and resid 202 and name HN )) (( segid " " and resid 197 and name HA )) ASSI { 3316} (( segid " " and resid 202 and name HN )) (( segid " " and resid 201 and name HA )) 2.000 0.500 0.500 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.60106E-01 ppm1 8.157 ppm2 4.559 CV 1 ASSI { 3317} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HD3 )) 4.800 2.900 1.200 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.18971E-02 ppm1 8.158 ppm2 3.198 CV 1 ASSI { 3318} (( segid " " and resid 202 and name HN )) (( segid " " and resid 201 and name HE3 )) 3.700 1.700 1.700 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.15663E-02 ppm1 8.156 ppm2 3.063 CV 1 ASSI { 3319} (( segid " " and resid 202 and name HN )) (( segid " " and resid 201 and name HB2 )) 2.500 0.800 0.800 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.20371E-01 ppm1 8.157 ppm2 1.823 CV 1 OR { 3319} (( segid " " and resid 202 and name HN )) (( segid " " and resid 201 and name HB3 )) ASSI { 3320} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HB3 )) 3.500 1.600 1.600 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.65661E-02 ppm1 8.157 ppm2 1.644 CV 1 ASSI { 3321} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HG3 )) 2.400 0.700 0.700 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.21579E-01 ppm1 8.154 ppm2 1.475 CV 1 OR { 3321} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HG2 )) ASSI { 3326} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HB3 )) 2.400 0.700 0.700 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.20821E-01 ppm1 8.136 ppm2 1.482 CV 1 OR { 3326} (( segid " " and resid 272 and name HN )) (( segid " " and resid 267 and name HG3 )) OR { 3326} (( segid " " and resid 272 and name HN )) (( segid " " and resid 267 and name HG2 )) ASSI { 3327} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HN )) 2.400 0.700 0.700 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.15869E-01 ppm1 8.129 ppm2 7.706 CV 1 ASSI { 3329} (( segid " " and resid 214 and name HN )) ( segid " " and resid 161 and name HD% ) 2.900 2.900 3.100 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.15131E-02 ppm1 8.128 ppm2 6.805 CV 1 ASSI { 3330} (( segid " " and resid 214 and name HN )) (( segid " " and resid 161 and name HA )) 4.900 3.000 1.100 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.20913E-02 ppm1 8.130 ppm2 4.975 CV 1 ASSI { 3332} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HA )) 2.600 0.800 0.800 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.16834E-01 ppm1 8.130 ppm2 4.166 CV 1 ASSI { 3333} (( segid " " and resid 214 and name HN )) (( segid " " and resid 212 and name HD3 )) 3.600 1.600 1.600 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.17178E-02 ppm1 8.127 ppm2 3.985 CV 1 OR { 3333} (( segid " " and resid 214 and name HN )) (( segid " " and resid 160 and name HB )) ASSI { 3334} (( segid " " and resid 214 and name HN )) (( segid " " and resid 212 and name HA )) 3.500 1.500 1.500 peak 3334 spectrum 1 weight 0.10000E+01 volume 0.51093E-02 ppm1 8.129 ppm2 3.602 CV 1 ASSI { 3335} (( segid " " and resid 214 and name HN )) (( segid " " and resid 214 and name HB3 )) 2.800 1.000 1.000 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.10532E-01 ppm1 8.130 ppm2 2.656 CV 1 ASSI { 3336} (( segid " " and resid 214 and name HN )) (( segid " " and resid 214 and name HB2 )) 2.800 1.000 1.000 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.17767E-01 ppm1 8.130 ppm2 2.509 CV 1 ASSI { 3337} (( segid " " and resid 214 and name HN )) (( segid " " and resid 212 and name HB3 )) 3.500 1.500 1.500 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.41321E-02 ppm1 8.129 ppm2 1.941 CV 1 ASSI { 3338} (( segid " " and resid 214 and name HN )) (( segid " " and resid 212 and name HB2 )) 2.700 0.900 0.900 peak 3338 spectrum 1 weight 0.10000E+01 volume 0.95252E-02 ppm1 8.131 ppm2 1.754 CV 1 ASSI { 3339} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HB2 )) 3.200 1.300 1.300 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.10523E-01 ppm1 8.130 ppm2 1.328 CV 1 ASSI { 3340} (( segid " " and resid 272 and name HN )) ( segid " " and resid 245 and name HG1%) 2.700 2.700 3.300 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.61725E-02 ppm1 8.130 ppm2 0.807 CV 1 OR { 3340} (( segid " " and resid 214 and name HN )) ( segid " " and resid 213 and name HD2%) ASSI { 3352} (( segid " " and resid 175 and name HN )) (( segid " " and resid 176 and name HN )) 4.600 2.700 1.400 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.11428E-02 ppm1 7.547 ppm2 8.122 CV 1 ASSI { 3353} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HN )) 4.800 2.900 1.200 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.10427E-02 ppm1 7.547 ppm2 7.369 CV 1 ASSI { 3355} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HG2 )) 4.000 2.000 2.000 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.12934E-02 ppm1 7.546 ppm2 1.878 CV 1 ASSI { 3362} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HE22)) 3.000 3.000 3.000 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.14152E-02 ppm1 7.384 ppm2 6.800 CV 1 ASSI { 3363} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HD2 )) 4.200 2.200 1.800 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.21620E-02 ppm1 7.386 ppm2 3.618 CV 1 ASSI { 3364} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.000 1.100 1.100 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.51393E-02 ppm1 7.381 ppm2 0.664 CV 1 ASSI { 3367} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.10163E-01 ppm1 7.381 ppm2 8.055 CV 1 ASSI { 3369} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HD22)) 4.000 2.000 2.000 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.31599E-02 ppm1 7.381 ppm2 7.125 CV 1 ASSI { 3370} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.900 1.000 1.000 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.82362E-02 ppm1 7.381 ppm2 5.159 CV 1 ASSI { 3371} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 3.000 1.100 1.100 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.87286E-02 ppm1 7.381 ppm2 4.168 CV 1 ASSI { 3372} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HA )) 3.000 1.100 1.100 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.90622E-02 ppm1 7.381 ppm2 3.800 CV 1 OR { 3372} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HD3 )) ASSI { 3373} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.800 1.000 1.000 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.12342E-01 ppm1 7.381 ppm2 2.721 CV 1 OR { 3373} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB3 )) ASSI { 3398} (( segid " " and resid 279 and name HN )) (( segid " " and resid 235 and name HG3 )) 4.700 2.700 1.300 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.12975E-02 ppm1 7.160 ppm2 1.155 CV 1 OR { 3398} (( segid " " and resid 279 and name HN )) (( segid " " and resid 234 and name HG13)) ASSI { 3399} (( segid " " and resid 279 and name HN )) (( segid " " and resid 278 and name HN )) 2.800 1.000 1.000 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.64069E-02 ppm1 7.156 ppm2 7.888 CV 1 ASSI { 3403} (( segid " " and resid 279 and name HN )) ( segid " " and resid 279 and name HD% ) 3.100 1.200 1.200 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.52151E-02 ppm1 7.156 ppm2 6.488 CV 1 ASSI { 3404} (( segid " " and resid 279 and name HN )) (( segid " " and resid 280 and name HA )) 4.300 2.400 1.700 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.13422E-02 ppm1 7.159 ppm2 5.490 CV 1 ASSI { 3405} (( segid " " and resid 279 and name HN )) (( segid " " and resid 279 and name HA )) 2.700 0.900 0.900 peak 3405 spectrum 1 weight 0.10000E+01 volume 0.69235E-02 ppm1 7.157 ppm2 4.939 CV 1 ASSI { 3407} (( segid " " and resid 279 and name HN )) (( segid " " and resid 279 and name HB3 )) 3.200 1.300 1.300 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.82344E-02 ppm1 7.156 ppm2 3.941 CV 1 ASSI { 3408} (( segid " " and resid 279 and name HN )) (( segid " " and resid 279 and name HB2 )) 2.500 0.800 0.800 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.10293E-01 ppm1 7.156 ppm2 2.955 CV 1 ASSI { 3409} (( segid " " and resid 279 and name HN )) (( segid " " and resid 278 and name HG3 )) 4.500 4.500 1.500 peak 3409 spectrum 1 weight 0.10000E+01 volume 0.28156E-02 ppm1 7.155 ppm2 2.071 CV 1 ASSI { 3410} (( segid " " and resid 279 and name HN )) ( segid " " and resid 278 and name HE% ) 3.900 1.900 1.900 peak 3410 spectrum 1 weight 0.10000E+01 volume 0.24256E-02 ppm1 7.156 ppm2 1.896 CV 1 OR { 3410} (( segid " " and resid 279 and name HN )) (( segid " " and resid 278 and name HB3 )) ! ASSI { 3411} ! (( segid " " and resid 279 and name HN )) ! (( segid " " and resid 12 and name HG3 )) ! 3.900 1.900 1.900 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.44206E-02 ppm1 7.158 ppm2 1.751 CV 1 ASSI { 3413} (( segid " " and resid 279 and name HN )) (( segid " " and resid 280 and name HB2 )) 4.200 2.200 1.800 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.19219E-02 ppm1 7.154 ppm2 1.405 CV 1 ASSI { 3414} (( segid " " and resid 279 and name HN )) (( segid " " and resid 278 and name HB2 )) 4.300 2.300 1.700 peak 3414 spectrum 1 weight 0.10000E+01 volume 0.23845E-02 ppm1 7.157 ppm2 1.289 CV 1 ASSI { 3415} (( segid " " and resid 279 and name HN )) ( segid " " and resid 234 and name HD1%) 3.700 1.800 1.800 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.30226E-02 ppm1 7.154 ppm2 0.883 CV 1 OR { 3415} (( segid " " and resid 279 and name HN )) (( segid " " and resid 234 and name HG12)) OR { 3415} (( segid " " and resid 279 and name HN )) ( segid " " and resid 234 and name HG2%) ASSI { 3417} (( segid " " and resid 279 and name HN )) (( segid " " and resid 276 and name HB3 )) 3.700 1.700 1.700 peak 3417 spectrum 1 weight 0.10000E+01 volume 0.41877E-02 ppm1 7.157 ppm2 0.351 CV 1 ASSI { 3418} (( segid " " and resid 279 and name HN )) (( segid " " and resid 276 and name HB2 )) 3.100 1.200 1.200 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.29043E-02 ppm1 7.156 ppm2 0.182 CV 1 ASSI { 3419} (( segid " " and resid 279 and name HN )) (( segid " " and resid 277 and name HN )) 4.200 2.200 1.800 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.10872E-02 ppm1 7.150 ppm2 8.176 CV 1 ASSI { 3420} (( segid " " and resid 279 and name HN )) ( segid " " and resid 279 and name HE% ) 4.800 2.900 1.200 peak 3420 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 7.153 ppm2 6.699 CV 1 ASSI { 3421} (( segid " " and resid 279 and name HN )) (( segid " " and resid 277 and name HA )) 3.700 1.700 1.700 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.21203E-02 ppm1 7.151 ppm2 2.614 CV 1 ASSI { 3445} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.600 0.800 0.800 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.19957E-01 ppm1 8.232 ppm2 4.222 CV 1 OR { 3445} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB )) ASSI { 3446} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB )) 3.800 1.800 1.800 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.24592E-02 ppm1 8.232 ppm2 1.880 CV 1 ASSI { 3447} (( segid " " and resid 153 and name HN )) ( segid " " and resid 153 and name HG2%) 3.500 1.500 1.500 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.49372E-02 ppm1 8.231 ppm2 1.171 CV 1 OR { 3447} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HG12)) ASSI { 3448} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HD1%) 4.000 2.000 2.000 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.24633E-02 ppm1 8.231 ppm2 0.860 CV 1 ASSI { 3468} (( segid " " and resid 278 and name HN )) (( segid " " and resid 280 and name HN )) 3.700 1.700 1.700 peak 3468 spectrum 1 weight 0.10000E+01 volume 0.23243E-02 ppm1 7.892 ppm2 7.702 CV 1 ASSI { 3469} (( segid " " and resid 278 and name HN )) (( segid " " and resid 279 and name HN )) 2.900 1.100 1.100 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.58548E-02 ppm1 7.893 ppm2 7.156 CV 1 ASSI { 3471} (( segid " " and resid 278 and name HN )) (( segid " " and resid 278 and name HA )) 2.700 0.900 0.900 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.12168E-01 ppm1 7.892 ppm2 3.997 CV 1 OR { 3471} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HA )) ASSI { 3472} (( segid " " and resid 278 and name HN )) (( segid " " and resid 191 and name HA )) 3.400 1.400 1.400 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.23248E-02 ppm1 7.893 ppm2 3.790 CV 1 ASSI { 3473} (( segid " " and resid 278 and name HN )) (( segid " " and resid 276 and name HA )) 4.200 2.200 1.800 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.21464E-02 ppm1 7.895 ppm2 3.418 CV 1 ASSI { 3474} (( segid " " and resid 278 and name HN )) (( segid " " and resid 279 and name HB2 )) 4.600 2.700 1.400 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.12507E-02 ppm1 7.893 ppm2 2.934 CV 1 ASSI { 3475} (( segid " " and resid 278 and name HN )) (( segid " " and resid 278 and name HB2 )) 3.700 1.700 1.700 peak 3475 spectrum 1 weight 0.10000E+01 volume 0.65054E-02 ppm1 7.892 ppm2 1.287 CV 1 ASSI { 3476} (( segid " " and resid 278 and name HN )) (( segid " " and resid 276 and name HB2 )) 4.000 2.000 2.000 peak 3476 spectrum 1 weight 0.10000E+01 volume 0.20453E-02 ppm1 7.897 ppm2 0.188 CV 1 ASSI { 3477} (( segid " " and resid 278 and name HN )) (( segid " " and resid 277 and name HN )) 3.300 1.300 1.300 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.32679E-02 ppm1 7.890 ppm2 8.180 CV 1 ASSI { 3479} (( segid " " and resid 278 and name HN )) (( segid " " and resid 277 and name HA )) 3.700 1.700 1.700 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.24210E-02 ppm1 7.890 ppm2 2.611 CV 1 OR { 3479} (( segid " " and resid 187 and name HN )) (( segid " " and resid 196 and name HB3 )) ASSI { 3480} (( segid " " and resid 278 and name HN )) (( segid " " and resid 278 and name HG3 )) 3.600 1.600 1.600 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.86528E-02 ppm1 7.891 ppm2 2.076 CV 1 ASSI { 3482} (( segid " " and resid 278 and name HN )) (( segid " " and resid 277 and name HB2 )) 3.800 1.800 1.800 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.20160E-02 ppm1 7.891 ppm2 1.170 CV 1 ASSI { 3491} (( segid " " and resid 241 and name HN )) (( segid " " and resid 240 and name HN )) 2.300 0.700 0.700 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.16743E-01 ppm1 6.845 ppm2 8.684 CV 1 ASSI { 3493} (( segid " " and resid 241 and name HN )) (( segid " " and resid 244 and name HN )) 4.200 2.200 1.800 peak 3493 spectrum 1 weight 0.10000E+01 volume 0.15776E-02 ppm1 6.846 ppm2 7.452 CV 1 ASSI { 3496} (( segid " " and resid 241 and name HN )) (( segid " " and resid 241 and name HA )) 2.900 1.100 1.100 peak 3496 spectrum 1 weight 0.10000E+01 volume 0.69495E-02 ppm1 6.846 ppm2 4.515 CV 1 ASSI { 3497} (( segid " " and resid 241 and name HN )) (( segid " " and resid 239 and name HA )) 3.700 1.700 1.700 peak 3497 spectrum 1 weight 0.10000E+01 volume 0.56710E-02 ppm1 6.844 ppm2 4.168 CV 1 ASSI { 3498} (( segid " " and resid 241 and name HN )) (( segid " " and resid 240 and name HA )) 3.100 1.200 1.200 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.66037E-02 ppm1 6.845 ppm2 4.016 CV 1 ASSI { 3499} (( segid " " and resid 241 and name HN )) (( segid " " and resid 244 and name HB3 )) 3.500 1.500 1.500 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.49423E-02 ppm1 6.846 ppm2 2.450 CV 1 ASSI { 3500} (( segid " " and resid 241 and name HN )) (( segid " " and resid 241 and name HB3 )) 2.800 1.000 1.000 peak 3500 spectrum 1 weight 0.10000E+01 volume 0.19306E-01 ppm1 6.846 ppm2 2.263 CV 1 OR { 3500} (( segid " " and resid 241 and name HN )) (( segid " " and resid 244 and name HB2 )) OR { 3500} (( segid " " and resid 241 and name HN )) (( segid " " and resid 240 and name HB )) ASSI { 3501} (( segid " " and resid 241 and name HN )) (( segid " " and resid 241 and name HG3 )) 2.900 1.000 1.000 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.10663E-01 ppm1 6.847 ppm2 2.155 CV 1 ASSI { 3502} (( segid " " and resid 241 and name HN )) (( segid " " and resid 241 and name HB2 )) 2.600 0.800 0.800 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.87978E-02 ppm1 6.846 ppm2 1.644 CV 1 ASSI { 3503} (( segid " " and resid 241 and name HN )) ( segid " " and resid 240 and name HG1%) 3.800 1.800 1.800 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.66531E-02 ppm1 6.845 ppm2 1.066 CV 1 ASSI { 3504} (( segid " " and resid 241 and name HN )) ( segid " " and resid 240 and name HG2%) 3.200 1.300 1.300 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.76260E-02 ppm1 6.845 ppm2 0.936 CV 1 ASSI { 3505} (( segid " " and resid 241 and name HN )) (( segid " " and resid 243 and name HN )) 4.800 2.800 1.200 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.10689E-02 ppm1 6.843 ppm2 8.190 CV 1 ASSI { 3508} (( segid " " and resid 241 and name HN )) ( segid " " and resid 239 and name HB% ) 3.100 1.200 1.200 peak 3508 spectrum 1 weight 0.10000E+01 volume 0.69567E-02 ppm1 6.844 ppm2 1.325 CV 1 ASSI { 3510} (( segid " " and resid 21 and name HE )) (( segid " " and resid 21 and name HG3 )) 3.200 1.300 1.300 peak 3510 spectrum 1 weight 0.10000E+01 volume 0.40926E-02 ppm1 6.813 ppm2 1.587 CV 1 ASSI { 3514} (( segid " " and resid 21 and name HE )) (( segid " " and resid 18 and name HA )) 2.900 2.900 3.100 peak 3514 spectrum 1 weight 0.10000E+01 volume 0.17172E-02 ppm1 6.808 ppm2 3.691 CV 1 ASSI { 3515} (( segid " " and resid 21 and name HE )) (( segid " " and resid 21 and name HD2 )) 3.400 1.400 1.400 peak 3515 spectrum 1 weight 0.10000E+01 volume 0.32041E-02 ppm1 6.808 ppm2 2.965 CV 1 ASSI { 3516} (( segid " " and resid 21 and name HE )) (( segid " " and resid 21 and name HG2 )) 3.800 1.800 1.800 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.25369E-02 ppm1 6.809 ppm2 1.388 CV 1 ASSI { 3535} (( segid " " and resid 187 and name HN )) (( segid " " and resid 188 and name HN )) 3.800 1.800 1.800 peak 3535 spectrum 1 weight 0.10000E+01 volume 0.23897E-02 ppm1 7.894 ppm2 8.725 CV 1 ASSI { 3537} (( segid " " and resid 187 and name HN )) ( segid " " and resid 195 and name HD% ) 4.300 2.400 1.700 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.12698E-02 ppm1 7.893 ppm2 5.886 CV 1 ASSI { 3539} (( segid " " and resid 187 and name HN )) (( segid " " and resid 195 and name HB3 )) 2.800 1.000 1.000 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.58642E-02 ppm1 7.892 ppm2 2.274 CV 1 ASSI { 3540} (( segid " " and resid 187 and name HN )) (( segid " " and resid 195 and name HN )) 3.200 1.300 1.300 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.49318E-02 ppm1 7.891 ppm2 9.438 CV 1 ASSI { 3542} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HN )) 2.300 0.700 0.700 peak 3542 spectrum 1 weight 0.10000E+01 volume 0.14056E-01 ppm1 7.891 ppm2 8.960 CV 1 ASSI { 3545} (( segid " " and resid 187 and name HN )) (( segid " " and resid 196 and name HA )) 4.100 2.100 1.900 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.33413E-02 ppm1 7.889 ppm2 5.286 CV 1 ASSI { 3546} (( segid " " and resid 187 and name HN )) (( segid " " and resid 187 and name HA )) 2.900 1.000 1.000 peak 3546 spectrum 1 weight 0.10000E+01 volume 0.64102E-02 ppm1 7.891 ppm2 4.471 CV 1 ASSI { 3547} (( segid " " and resid 187 and name HN )) (( segid " " and resid 185 and name HA )) 4.000 2.000 2.000 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.51593E-02 ppm1 7.891 ppm2 4.199 CV 1 ASSI { 3548} (( segid " " and resid 187 and name HN )) (( segid " " and resid 187 and name HB3 )) 2.500 0.800 0.800 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.22001E-01 ppm1 7.891 ppm2 1.901 CV 1 OR { 3548} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HB )) ASSI { 3549} (( segid " " and resid 187 and name HN )) ( segid " " and resid 185 and name HG2%) 3.300 1.400 1.400 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.76485E-02 ppm1 7.891 ppm2 0.897 CV 1 OR { 3549} (( segid " " and resid 187 and name HN )) ( segid " " and resid 158 and name HD2%) ASSI { 3550} (( segid " " and resid 187 and name HN )) ( segid " " and resid 186 and name HG1%) 3.100 1.200 1.200 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.67148E-02 ppm1 7.890 ppm2 0.723 CV 1 ASSI { 3551} (( segid " " and resid 187 and name HN )) (( segid " " and resid 195 and name HB2 )) 4.300 2.300 1.700 peak 3551 spectrum 1 weight 0.10000E+01 volume 0.43652E-02 ppm1 7.888 ppm2 0.525 CV 1 ASSI { 3552} (( segid " " and resid 187 and name HN )) ( segid " " and resid 185 and name HG1%) 3.200 3.200 2.800 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.83864E-02 ppm1 7.891 ppm2 0.351 CV 1 ASSI { 3574} (( segid " " and resid 243 and name HN )) (( segid " " and resid 244 and name HN )) 2.400 0.700 0.700 peak 3574 spectrum 1 weight 0.10000E+01 volume 0.18072E-01 ppm1 8.187 ppm2 7.454 CV 1 ASSI { 3575} (( segid " " and resid 243 and name HN )) (( segid " " and resid 241 and name HN )) 4.600 2.700 1.400 peak 3575 spectrum 1 weight 0.10000E+01 volume 0.12409E-02 ppm1 8.190 ppm2 6.843 CV 1 ASSI { 3576} (( segid " " and resid 243 and name HN )) (( segid " " and resid 243 and name HA )) 2.700 0.900 0.900 peak 3576 spectrum 1 weight 0.10000E+01 volume 0.10668E-01 ppm1 8.188 ppm2 4.831 CV 1 ASSI { 3577} (( segid " " and resid 243 and name HN )) (( segid " " and resid 241 and name HA )) 4.700 2.700 1.300 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.29899E-02 ppm1 8.187 ppm2 4.511 CV 1 ASSI { 3578} (( segid " " and resid 243 and name HN )) (( segid " " and resid 242 and name HA2 )) 3.300 1.300 1.300 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.54085E-02 ppm1 8.188 ppm2 3.998 CV 1 ASSI { 3579} (( segid " " and resid 243 and name HN )) (( segid " " and resid 242 and name HA1 )) 3.500 1.500 1.500 peak 3579 spectrum 1 weight 0.10000E+01 volume 0.55362E-02 ppm1 8.188 ppm2 3.862 CV 1 ASSI { 3580} (( segid " " and resid 243 and name HN )) (( segid " " and resid 243 and name HB2 )) 2.700 0.900 0.900 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.80461E-02 ppm1 8.188 ppm2 2.658 CV 1 ASSI { 3581} (( segid " " and resid 243 and name HN )) (( segid " " and resid 241 and name HG3 )) 3.900 1.900 1.900 peak 3581 spectrum 1 weight 0.10000E+01 volume 0.87403E-02 ppm1 8.188 ppm2 2.193 CV 1 ASSI { 3583} (( segid " " and resid 243 and name HN )) (( segid " " and resid 242 and name HN )) 2.800 1.000 1.000 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.50595E-02 ppm1 8.186 ppm2 8.857 CV 1 ASSI { 3585} (( segid " " and resid 243 and name HN )) (( segid " " and resid 244 and name HA )) 4.500 2.500 1.500 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.14049E-02 ppm1 8.182 ppm2 5.406 CV 1 ASSI { 3586} (( segid " " and resid 243 and name HN )) (( segid " " and resid 243 and name HB3 )) 3.500 1.500 1.500 peak 3586 spectrum 1 weight 0.10000E+01 volume 0.56205E-02 ppm1 8.187 ppm2 3.368 CV 1 ASSI { 3587} (( segid " " and resid 243 and name HN )) (( segid " " and resid 244 and name HB3 )) 4.000 2.000 2.000 peak 3587 spectrum 1 weight 0.10000E+01 volume 0.31360E-02 ppm1 8.186 ppm2 2.450 CV 1 ASSI { 3588} (( segid " " and resid 243 and name HN )) (( segid " " and resid 241 and name HB2 )) 3.300 1.400 1.400 peak 3588 spectrum 1 weight 0.10000E+01 volume 0.57749E-02 ppm1 8.186 ppm2 1.644 CV 1 ASSI { 3589} (( segid " " and resid 243 and name HN )) ( segid " " and resid 239 and name HB% ) 4.100 2.100 1.900 peak 3589 spectrum 1 weight 0.10000E+01 volume 0.17656E-02 ppm1 8.187 ppm2 1.320 CV 1 ASSI { 3620} (( segid " " and resid 232 and name HN )) (( segid " " and resid 283 and name HA )) 4.800 2.800 1.200 peak 3620 spectrum 1 weight 0.10000E+01 volume 0.11923E-02 ppm1 9.356 ppm2 4.382 CV 1 ASSI { 3621} (( segid " " and resid 232 and name HN )) (( segid " " and resid 283 and name HB2 )) 3.600 1.600 1.600 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.22907E-02 ppm1 9.356 ppm2 3.585 CV 1 OR { 3621} (( segid " " and resid 232 and name HN )) (( segid " " and resid 283 and name HB3 )) ASSI { 3622} (( segid " " and resid 232 and name HN )) (( segid " " and resid 281 and name HB3 )) 4.100 2.100 1.900 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.14363E-02 ppm1 9.355 ppm2 2.333 CV 1 OR { 3622} (( segid " " and resid 232 and name HN )) (( segid " " and resid 281 and name HG2 )) ASSI { 3623} (( segid " " and resid 232 and name HN )) (( segid " " and resid 281 and name HB2 )) 4.400 2.400 1.600 peak 3623 spectrum 1 weight 0.10000E+01 volume 0.21727E-02 ppm1 9.357 ppm2 1.902 CV 1 ASSI { 3625} (( segid " " and resid 232 and name HN )) (( segid " " and resid 231 and name HN )) 3.800 1.800 1.800 peak 3625 spectrum 1 weight 0.10000E+01 volume 0.31545E-02 ppm1 9.355 ppm2 8.896 CV 1 OR { 3625} (( segid " " and resid 232 and name HN )) (( segid " " and resid 253 and name HN )) ASSI { 3627} (( segid " " and resid 232 and name HN )) (( segid " " and resid 283 and name HN )) 3.900 1.900 1.900 peak 3627 spectrum 1 weight 0.10000E+01 volume 0.26650E-02 ppm1 9.352 ppm2 7.915 CV 1 ASSI { 3628} (( segid " " and resid 232 and name HN )) ( segid " " and resid 231 and name HD% ) 3.400 1.500 1.500 peak 3628 spectrum 1 weight 0.10000E+01 volume 0.44996E-02 ppm1 9.353 ppm2 7.003 CV 1 ASSI { 3629} (( segid " " and resid 232 and name HN )) (( segid " " and resid 280 and name HA )) 4.300 2.300 1.700 peak 3629 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 9.353 ppm2 5.477 CV 1 ASSI { 3630} (( segid " " and resid 232 and name HN )) (( segid " " and resid 231 and name HA )) 2.200 0.600 0.600 peak 3630 spectrum 1 weight 0.10000E+01 volume 0.23167E-01 ppm1 9.354 ppm2 5.077 CV 1 ASSI { 3631} (( segid " " and resid 232 and name HN )) (( segid " " and resid 281 and name HA )) 3.900 1.900 1.900 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.20717E-02 ppm1 9.354 ppm2 4.805 CV 1 ASSI { 3632} (( segid " " and resid 232 and name HN )) (( segid " " and resid 231 and name HB3 )) 2.600 0.800 0.800 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.12709E-01 ppm1 9.354 ppm2 2.720 CV 1 OR { 3632} (( segid " " and resid 232 and name HN )) (( segid " " and resid 231 and name HB2 )) ASSI { 3633} (( segid " " and resid 232 and name HN )) (( segid " " and resid 232 and name HB )) 2.700 0.900 0.900 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.78390E-02 ppm1 9.353 ppm2 1.757 CV 1 ASSI { 3634} (( segid " " and resid 232 and name HN )) (( segid " " and resid 280 and name HB2 )) 3.800 1.800 1.800 peak 3634 spectrum 1 weight 0.10000E+01 volume 0.24942E-02 ppm1 9.354 ppm2 1.396 CV 1 ASSI { 3635} (( segid " " and resid 232 and name HN )) ( segid " " and resid 232 and name HG2%) 2.600 0.800 0.800 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.13099E-01 ppm1 9.354 ppm2 0.771 CV 1 ASSI { 3636} (( segid " " and resid 232 and name HN )) ( segid " " and resid 253 and name HG2%) 3.600 1.600 1.600 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.36271E-02 ppm1 9.353 ppm2 0.481 CV 1 OR { 3636} (( segid " " and resid 232 and name HN )) ( segid " " and resid 280 and name HD2%) ASSI { 3726} (( segid " " and resid 205 and name HN )) (( segid " " and resid 204 and name HD1 )) 2.900 2.900 3.100 peak 3726 spectrum 1 weight 0.10000E+01 volume 0.14671E-02 ppm1 9.613 ppm2 7.489 CV 1 OR { 3726} (( segid " " and resid 205 and name HN )) (( segid " " and resid 189 and name HN )) ASSI { 3727} (( segid " " and resid 205 and name HN )) (( segid " " and resid 195 and name HA )) 4.400 2.400 1.600 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.25479E-02 ppm1 9.614 ppm2 4.060 CV 1 ASSI { 3732} (( segid " " and resid 205 and name HN )) (( segid " " and resid 204 and name HE3 )) 4.000 2.000 2.000 peak 3732 spectrum 1 weight 0.10000E+01 volume 0.16334E-02 ppm1 9.605 ppm2 7.152 CV 1 ASSI { 3733} (( segid " " and resid 205 and name HN )) (( segid " " and resid 204 and name HA )) 2.500 0.800 0.800 peak 3733 spectrum 1 weight 0.10000E+01 volume 0.94842E-02 ppm1 9.609 ppm2 5.293 CV 1 ASSI { 3734} (( segid " " and resid 205 and name HN )) (( segid " " and resid 205 and name HA )) 3.300 1.400 1.400 peak 3734 spectrum 1 weight 0.10000E+01 volume 0.22529E-02 ppm1 9.607 ppm2 4.974 CV 1 ASSI { 3736} (( segid " " and resid 205 and name HN )) (( segid " " and resid 194 and name HB2 )) 4.100 2.100 1.900 peak 3736 spectrum 1 weight 0.10000E+01 volume 0.11839E-02 ppm1 9.609 ppm2 2.884 CV 1 OR { 3736} (( segid " " and resid 205 and name HN )) (( segid " " and resid 194 and name HB3 )) ASSI { 3737} (( segid " " and resid 205 and name HN )) (( segid " " and resid 204 and name HB2 )) 3.600 1.600 1.600 peak 3737 spectrum 1 weight 0.10000E+01 volume 0.14816E-02 ppm1 9.608 ppm2 2.612 CV 1 ASSI { 3738} (( segid " " and resid 205 and name HN )) (( segid " " and resid 205 and name HB )) 3.900 1.900 1.900 peak 3738 spectrum 1 weight 0.10000E+01 volume 0.20212E-02 ppm1 9.609 ppm2 1.695 CV 1 ASSI { 3739} (( segid " " and resid 205 and name HN )) (( segid " " and resid 205 and name HG13)) 3.100 1.200 1.200 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.28335E-02 ppm1 9.606 ppm2 1.399 CV 1 ASSI { 3741} (( segid " " and resid 205 and name HN )) ( segid " " and resid 205 and name HD1%) 4.200 2.200 1.800 peak 3741 spectrum 1 weight 0.10000E+01 volume 0.24557E-02 ppm1 9.607 ppm2 0.955 CV 1 OR { 3741} (( segid " " and resid 205 and name HN )) ( segid " " and resid 177 and name HD2%) ASSI { 3771} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.700 0.900 0.900 peak 3771 spectrum 1 weight 0.10000E+01 volume 0.14355E-01 ppm1 9.194 ppm2 3.988 CV 1 ASSI { 3772} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB3 )) 2.700 0.900 0.900 peak 3772 spectrum 1 weight 0.10000E+01 volume 0.15489E-01 ppm1 9.194 ppm2 1.961 CV 1 ASSI { 3773} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.500 0.800 0.800 peak 3773 spectrum 1 weight 0.10000E+01 volume 0.21056E-01 ppm1 9.194 ppm2 1.810 CV 1 OR { 3773} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 3774} (( segid " " and resid 19 and name HN )) (( segid " " and resid 22 and name HG3 )) 4.100 2.100 2.900 peak 3774 spectrum 1 weight 0.10000E+01 volume 0.16461E-02 ppm1 9.195 ppm2 1.432 CV 1 OR { 3774} (( segid " " and resid 19 and name HN )) (( segid " " and resid 22 and name HG2 )) OR { 3774} (( segid " " and resid 19 and name HN )) (( segid " " and resid 206 and name HB2 )) ASSI { 3776} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 3.000 1.100 1.100 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.82777E-02 ppm1 9.194 ppm2 8.566 CV 1 ASSI { 3778} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 3778 spectrum 1 weight 0.10000E+01 volume 0.10828E-01 ppm1 9.193 ppm2 7.813 CV 1 ASSI { 3779} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HN )) 4.500 2.500 1.500 peak 3779 spectrum 1 weight 0.10000E+01 volume 0.16900E-02 ppm1 9.191 ppm2 7.458 CV 1 ASSI { 3781} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 2.900 1.000 1.000 peak 3781 spectrum 1 weight 0.10000E+01 volume 0.81787E-02 ppm1 9.194 ppm2 3.688 CV 1 ASSI { 3782} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG2 )) 3.300 1.400 1.400 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.62131E-02 ppm1 9.194 ppm2 2.248 CV 1 ASSI { 3783} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HB% ) 2.900 1.000 1.000 peak 3783 spectrum 1 weight 0.10000E+01 volume 0.18885E-01 ppm1 9.194 ppm2 1.292 CV 1 OR { 3783} (( segid " " and resid 19 and name HN )) ( segid " " and resid 20 and name HB% ) ASSI { 3788} (( segid " " and resid 180 and name HN )) (( segid " " and resid 163 and name HN )) 3.700 1.700 1.700 peak 3788 spectrum 1 weight 0.10000E+01 volume 0.18517E-02 ppm1 8.998 ppm2 9.376 CV 1 ASSI { 3790} (( segid " " and resid 180 and name HN )) (( segid " " and resid 181 and name HN )) 2.800 1.000 1.000 peak 3790 spectrum 1 weight 0.10000E+01 volume 0.74451E-02 ppm1 8.995 ppm2 8.516 CV 1 ASSI { 3791} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HN )) 4.600 2.600 1.400 peak 3791 spectrum 1 weight 0.10000E+01 volume 0.18743E-02 ppm1 8.993 ppm2 8.195 CV 1 ASSI { 3792} (( segid " " and resid 180 and name HN )) (( segid " " and resid 165 and name HN )) 3.000 3.000 3.000 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.13422E-02 ppm1 8.994 ppm2 7.663 CV 1 ASSI { 3793} (( segid " " and resid 180 and name HN )) (( segid " " and resid 163 and name HA )) 4.400 2.400 1.600 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.10958E-02 ppm1 8.999 ppm2 5.193 CV 1 ASSI { 3795} (( segid " " and resid 180 and name HN )) (( segid " " and resid 180 and name HA2 )) 3.000 1.100 1.100 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.10869E-01 ppm1 8.994 ppm2 4.479 CV 1 ASSI { 3796} (( segid " " and resid 180 and name HN )) (( segid " " and resid 164 and name HA )) 3.700 1.700 1.700 peak 3796 spectrum 1 weight 0.10000E+01 volume 0.20003E-02 ppm1 8.996 ppm2 4.340 CV 1 ASSI { 3797} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HB )) 4.500 2.500 1.500 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.15803E-02 ppm1 8.996 ppm2 3.765 CV 1 ASSI { 3798} (( segid " " and resid 180 and name HN )) (( segid " " and resid 180 and name HA1 )) 2.600 0.800 0.800 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.10936E-01 ppm1 8.994 ppm2 3.448 CV 1 ASSI { 3799} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HA )) 2.200 0.600 0.600 peak 3799 spectrum 1 weight 0.10000E+01 volume 0.24916E-01 ppm1 8.994 ppm2 3.087 CV 1 ASSI { 3800} (( segid " " and resid 180 and name HN )) ( segid " " and resid 163 and name HB% ) 3.000 1.100 1.100 peak 3800 spectrum 1 weight 0.10000E+01 volume 0.73219E-02 ppm1 8.993 ppm2 1.623 CV 1 ASSI { 3801} (( segid " " and resid 180 and name HN )) ( segid " " and resid 179 and name HG2%) 2.900 1.100 1.100 peak 3801 spectrum 1 weight 0.10000E+01 volume 0.94252E-02 ppm1 8.994 ppm2 0.963 CV 1 ASSI { 3802} (( segid " " and resid 180 and name HN )) ( segid " " and resid 164 and name HG2%) 4.100 2.100 1.900 peak 3802 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 8.996 ppm2 0.794 CV 1 ASSI { 3803} (( segid " " and resid 180 and name HN )) (( segid " " and resid 181 and name HB2 )) 4.800 2.900 1.200 peak 3803 spectrum 1 weight 0.10000E+01 volume 0.15480E-02 ppm1 8.992 ppm2 2.715 CV 1 ASSI { 3804} (( segid " " and resid 180 and name HN )) (( segid " " and resid 162 and name HG2 )) 3.800 1.800 1.800 peak 3804 spectrum 1 weight 0.10000E+01 volume 0.20913E-02 ppm1 8.992 ppm2 1.495 CV 1 ASSI { 3819} (( segid " " and resid 261 and name HN )) (( segid " " and resid 260 and name HN )) 2.800 1.000 1.000 peak 3819 spectrum 1 weight 0.10000E+01 volume 0.74831E-02 ppm1 7.866 ppm2 8.913 CV 1 ASSI { 3820} (( segid " " and resid 261 and name HN )) (( segid " " and resid 208 and name HN )) 4.300 2.300 1.700 peak 3820 spectrum 1 weight 0.10000E+01 volume 0.21830E-02 ppm1 7.867 ppm2 8.407 CV 1 OR { 3820} (( segid " " and resid 261 and name HN )) (( segid " " and resid 263 and name HN )) ASSI { 3823} (( segid " " and resid 261 and name HN )) (( segid " " and resid 262 and name HN )) 2.800 1.000 1.000 peak 3823 spectrum 1 weight 0.10000E+01 volume 0.89662E-02 ppm1 7.867 ppm2 7.698 CV 1 ASSI { 3825} (( segid " " and resid 261 and name HN )) (( segid " " and resid 264 and name HD1 )) 4.100 2.200 1.900 peak 3825 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 7.867 ppm2 7.172 CV 1 ASSI { 3827} (( segid " " and resid 261 and name HN )) (( segid " " and resid 260 and name HA )) 3.100 1.200 1.200 peak 3827 spectrum 1 weight 0.10000E+01 volume 0.52596E-02 ppm1 7.866 ppm2 4.202 CV 1 ASSI { 3828} (( segid " " and resid 261 and name HN )) (( segid " " and resid 261 and name HA )) 2.800 1.000 1.000 peak 3828 spectrum 1 weight 0.10000E+01 volume 0.90824E-02 ppm1 7.866 ppm2 4.107 CV 1 ASSI { 3829} (( segid " " and resid 261 and name HN )) (( segid " " and resid 222 and name HD3 )) 4.400 2.400 1.600 peak 3829 spectrum 1 weight 0.10000E+01 volume 0.14025E-02 ppm1 7.870 ppm2 3.836 CV 1 OR { 3829} (( segid " " and resid 261 and name HN )) (( segid " " and resid 208 and name HB3 )) ASSI { 3830} (( segid " " and resid 261 and name HN )) (( segid " " and resid 261 and name HB3 )) 3.000 1.100 1.100 peak 3830 spectrum 1 weight 0.10000E+01 volume 0.59041E-02 ppm1 7.865 ppm2 2.989 CV 1 ASSI { 3831} (( segid " " and resid 261 and name HN )) (( segid " " and resid 261 and name HB2 )) 3.100 1.200 1.200 peak 3831 spectrum 1 weight 0.10000E+01 volume 0.93069E-02 ppm1 7.866 ppm2 2.343 CV 1 ASSI { 3832} (( segid " " and resid 261 and name HN )) (( segid " " and resid 259 and name HB3 )) 4.300 2.300 1.700 peak 3832 spectrum 1 weight 0.10000E+01 volume 0.47915E-02 ppm1 7.865 ppm2 2.059 CV 1 ASSI { 3833} (( segid " " and resid 261 and name HN )) (( segid " " and resid 260 and name HB3 )) 2.900 1.000 2.000 peak 3833 spectrum 1 weight 0.10000E+01 volume 0.87031E-02 ppm1 7.866 ppm2 1.920 CV 1 ASSI { 3834} (( segid " " and resid 261 and name HN )) (( segid " " and resid 259 and name HB2 )) 2.500 2.500 3.500 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.11387E-01 ppm1 7.866 ppm2 1.692 CV 1 ASSI { 3835} (( segid " " and resid 261 and name HN )) ( segid " " and resid 259 and name HD1%) 3.500 1.500 1.500 peak 3835 spectrum 1 weight 0.10000E+01 volume 0.52781E-02 ppm1 7.865 ppm2 1.050 CV 1 ASSI { 3836} (( segid " " and resid 261 and name HN )) ( segid " " and resid 259 and name HD2%) 3.900 1.900 1.900 peak 3836 spectrum 1 weight 0.10000E+01 volume 0.21261E-02 ppm1 7.866 ppm2 0.548 CV 1 ASSI { 3837} (( segid " " and resid 261 and name HN )) (( segid " " and resid 259 and name HN )) 4.100 2.100 1.900 peak 3837 spectrum 1 weight 0.10000E+01 volume 0.12534E-02 ppm1 7.864 ppm2 6.316 CV 1 ASSI { 3838} (( segid " " and resid 261 and name HN )) (( segid " " and resid 262 and name HA1 )) 5.000 3.100 1.000 peak 3838 spectrum 1 weight 0.10000E+01 volume 0.11936E-02 ppm1 7.861 ppm2 3.227 CV 1 ASSI { 3839} (( segid " " and resid 261 and name HN )) (( segid " " and resid 259 and name HG )) 4.800 2.800 1.200 peak 3839 spectrum 1 weight 0.10000E+01 volume 0.13416E-02 ppm1 7.863 ppm2 1.212 CV 1 ASSI { 3841} (( segid " " and resid 261 and name HN )) ( segid " " and resid 207 and name HB% ) 3.900 1.900 1.900 peak 3841 spectrum 1 weight 0.10000E+01 volume 0.17969E-02 ppm1 7.864 ppm2 -0.380 CV 1 ASSI { 3847} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HN )) 3.100 1.200 1.200 peak 3847 spectrum 1 weight 0.10000E+01 volume 0.56764E-02 ppm1 7.638 ppm2 9.044 CV 1 ASSI { 3850} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HA )) 3.300 1.300 1.300 peak 3850 spectrum 1 weight 0.10000E+01 volume 0.45964E-02 ppm1 7.640 ppm2 4.577 CV 1 ASSI { 3851} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HA )) 3.200 1.300 1.300 peak 3851 spectrum 1 weight 0.10000E+01 volume 0.54326E-02 ppm1 7.639 ppm2 4.488 CV 1 ASSI { 3852} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HB2 )) 3.500 1.500 1.500 peak 3852 spectrum 1 weight 0.10000E+01 volume 0.37826E-02 ppm1 7.637 ppm2 3.991 CV 1 OR { 3852} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HB3 )) ASSI { 3853} (( segid " " and resid 171 and name HN )) (( segid " " and resid 174 and name HB3 )) 3.900 1.900 1.900 peak 3853 spectrum 1 weight 0.10000E+01 volume 0.14207E-02 ppm1 7.640 ppm2 2.620 CV 1 ASSI { 3854} (( segid " " and resid 171 and name HN )) (( segid " " and resid 174 and name HB2 )) 3.700 1.700 1.700 peak 3854 spectrum 1 weight 0.10000E+01 volume 0.22031E-02 ppm1 7.643 ppm2 2.096 CV 1 ASSI { 3855} (( segid " " and resid 171 and name HN )) (( segid " " and resid 174 and name HG2 )) 4.900 3.000 1.100 peak 3855 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 7.639 ppm2 1.910 CV 1 ASSI { 3856} (( segid " " and resid 171 and name HN )) (( segid " " and resid 169 and name HB3 )) 4.300 2.400 1.700 peak 3856 spectrum 1 weight 0.10000E+01 volume 0.23009E-02 ppm1 7.639 ppm2 1.754 CV 1 ASSI { 3857} (( segid " " and resid 171 and name HN )) (( segid " " and resid 169 and name HB2 )) 3.600 1.600 1.600 peak 3857 spectrum 1 weight 0.10000E+01 volume 0.24075E-02 ppm1 7.639 ppm2 1.608 CV 1 OR { 3857} (( segid " " and resid 171 and name HN )) (( segid " " and resid 169 and name HD2 )) ASSI { 3858} (( segid " " and resid 171 and name HN )) ( segid " " and resid 170 and name HG2%) 3.800 1.800 1.800 peak 3858 spectrum 1 weight 0.10000E+01 volume 0.44405E-02 ppm1 7.640 ppm2 1.240 CV 1 ASSI { 3869} (( segid " " and resid 197 and name HN )) (( segid " " and resid 184 and name HN )) 2.900 1.100 1.100 peak 3869 spectrum 1 weight 0.10000E+01 volume 0.69021E-02 ppm1 9.121 ppm2 8.740 CV 1 OR { 3869} (( segid " " and resid 197 and name HN )) (( segid " " and resid 185 and name HN )) ASSI { 3870} (( segid " " and resid 197 and name HN )) (( segid " " and resid 196 and name HA )) 2.300 0.600 0.600 peak 3870 spectrum 1 weight 0.10000E+01 volume 0.16457E-01 ppm1 9.121 ppm2 5.289 CV 1 ASSI { 3871} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HA )) 2.900 1.100 1.100 peak 3871 spectrum 1 weight 0.10000E+01 volume 0.52830E-02 ppm1 9.120 ppm2 5.145 CV 1 OR { 3871} (( segid " " and resid 197 and name HN )) (( segid " " and resid 202 and name HA )) ASSI { 3872} (( segid " " and resid 197 and name HN )) (( segid " " and resid 196 and name HB3 )) 2.900 1.000 1.000 peak 3872 spectrum 1 weight 0.10000E+01 volume 0.83372E-02 ppm1 9.121 ppm2 2.606 CV 1 ASSI { 3873} (( segid " " and resid 197 and name HN )) (( segid " " and resid 198 and name HG2 )) 3.400 3.400 2.600 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.59038E-02 ppm1 9.122 ppm2 2.463 CV 1 ASSI { 3874} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HB2 )) 3.200 1.300 1.300 peak 3874 spectrum 1 weight 0.10000E+01 volume 0.76666E-02 ppm1 9.121 ppm2 2.184 CV 1 ASSI { 3875} (( segid " " and resid 197 and name HN )) (( segid " " and resid 184 and name HB2 )) 3.100 1.200 1.200 peak 3875 spectrum 1 weight 0.10000E+01 volume 0.10460E-01 ppm1 9.121 ppm2 1.869 CV 1 OR { 3875} (( segid " " and resid 197 and name HN )) (( segid " " and resid 198 and name HB2 )) ASSI { 3876} (( segid " " and resid 197 and name HN )) (( segid " " and resid 202 and name HB3 )) 3.600 1.600 1.600 peak 3876 spectrum 1 weight 0.10000E+01 volume 0.28986E-02 ppm1 9.123 ppm2 1.640 CV 1 OR { 3876} (( segid " " and resid 197 and name HN )) (( segid " " and resid 158 and name HB3 )) ASSI { 3877} (( segid " " and resid 197 and name HN )) ( segid " " and resid 186 and name HG1%) 3.000 1.200 1.200 peak 3877 spectrum 1 weight 0.10000E+01 volume 0.68397E-02 ppm1 9.121 ppm2 0.741 CV 1 ASSI { 3878} (( segid " " and resid 197 and name HN )) (( segid " " and resid 186 and name HN )) 3.800 1.800 1.800 peak 3878 spectrum 1 weight 0.10000E+01 volume 0.32508E-02 ppm1 9.120 ppm2 8.949 CV 1 ASSI { 3879} (( segid " " and resid 197 and name HN )) (( segid " " and resid 183 and name HA )) 4.200 2.200 1.800 peak 3879 spectrum 1 weight 0.10000E+01 volume 0.19112E-02 ppm1 9.119 ppm2 4.961 CV 1 ASSI { 3880} (( segid " " and resid 197 and name HN )) (( segid " " and resid 185 and name HA )) 3.500 1.500 1.500 peak 3880 spectrum 1 weight 0.10000E+01 volume 0.31326E-02 ppm1 9.119 ppm2 4.195 CV 1 ASSI { 3881} (( segid " " and resid 197 and name HN )) (( segid " " and resid 202 and name HG2 )) 4.800 2.800 1.200 peak 3881 spectrum 1 weight 0.10000E+01 volume 0.13121E-02 ppm1 9.119 ppm2 1.470 CV 1 ASSI { 3882} (( segid " " and resid 197 and name HN )) (( segid " " and resid 196 and name HN )) 4.500 2.600 1.500 peak 3882 spectrum 1 weight 0.10000E+01 volume 0.11176E-02 ppm1 9.112 ppm2 8.194 CV 1 ASSI { 3891} (( segid " " and resid 219 and name HN )) (( segid " " and resid 220 and name HN )) 3.700 1.700 1.700 peak 3891 spectrum 1 weight 0.10000E+01 volume 0.57083E-02 ppm1 8.281 ppm2 8.650 CV 1 ASSI { 3893} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HN )) 3.000 1.100 1.100 peak 3893 spectrum 1 weight 0.10000E+01 volume 0.64549E-02 ppm1 8.282 ppm2 8.119 CV 1 ASSI { 3896} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HA )) 2.000 2.000 4.000 peak 3896 spectrum 1 weight 0.10000E+01 volume 0.79946E-01 ppm1 8.281 ppm2 4.385 CV 1 OR { 3896} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HA )) ASSI { 3897} (( segid " " and resid 219 and name HN )) (( segid " " and resid 217 and name HB3 )) 4.000 2.000 2.000 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.18639E-02 ppm1 8.283 ppm2 2.720 CV 1 ASSI { 3898} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HG2 )) 3.300 1.400 1.400 peak 3898 spectrum 1 weight 0.10000E+01 volume 0.61095E-02 ppm1 8.281 ppm2 2.236 CV 1 OR { 3898} (( segid " " and resid 219 and name HN )) (( segid " " and resid 220 and name HG2 )) OR { 3898} (( segid " " and resid 219 and name HN )) (( segid " " and resid 220 and name HG3 )) ASSI { 3899} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HB3 )) 3.100 1.200 1.200 peak 3899 spectrum 1 weight 0.10000E+01 volume 0.10522E-01 ppm1 8.281 ppm2 2.071 CV 1 ASSI { 3900} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HB2 )) 3.300 1.300 1.300 peak 3900 spectrum 1 weight 0.10000E+01 volume 0.71265E-02 ppm1 8.281 ppm2 1.926 CV 1 ASSI { 3902} (( segid " " and resid 219 and name HN )) (( segid " " and resid 217 and name HA )) 3.700 1.700 1.700 peak 3902 spectrum 1 weight 0.10000E+01 volume 0.22137E-02 ppm1 8.280 ppm2 4.561 CV 1 ASSI { 3903} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HB )) 2.900 1.100 1.100 peak 3903 spectrum 1 weight 0.10000E+01 volume 0.10153E-01 ppm1 8.280 ppm2 4.246 CV 1 ASSI { 3905} (( segid " " and resid 219 and name HN )) ( segid " " and resid 219 and name HG2%) 3.000 1.100 1.100 peak 3905 spectrum 1 weight 0.10000E+01 volume 0.16498E-01 ppm1 8.281 ppm2 1.254 CV 1 ASSI { 3913} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HA )) 4.300 2.400 1.700 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 8.132 ppm2 4.388 CV 1 ASSI { 3914} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA2 )) 3.700 1.700 1.700 peak 3914 spectrum 1 weight 0.10000E+01 volume 0.23842E-02 ppm1 8.127 ppm2 3.925 CV 1 OR { 3914} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA1 )) ASSI { 3915} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 4.100 2.100 1.900 peak 3915 spectrum 1 weight 0.10000E+01 volume 0.15474E-02 ppm1 8.125 ppm2 8.295 CV 1 ASSI { 3938} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HA )) 3.800 1.800 1.800 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.15419E-02 ppm1 9.046 ppm2 4.495 CV 1 ASSI { 3939} (( segid " " and resid 170 and name HN )) (( segid " " and resid 171 and name HN )) 3.600 1.600 1.600 peak 3939 spectrum 1 weight 0.10000E+01 volume 0.20952E-02 ppm1 9.040 ppm2 7.641 CV 1 OR { 3939} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HN )) ASSI { 3943} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HA )) 3.200 1.300 1.300 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.44827E-02 ppm1 9.035 ppm2 4.043 CV 1 ASSI { 3983} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HG2 )) 5.000 3.100 1.000 peak 3983 spectrum 1 weight 0.10000E+01 volume 0.13005E-02 ppm1 8.282 ppm2 2.466 CV 1 ASSI { 3987} (( segid " " and resid 191 and name HN )) (( segid " " and resid 192 and name HN )) 2.900 1.100 1.100 peak 3987 spectrum 1 weight 0.10000E+01 volume 0.64785E-02 ppm1 8.277 ppm2 7.608 CV 1 ASSI { 3989} (( segid " " and resid 191 and name HN )) (( segid " " and resid 189 and name HA )) 4.700 2.700 1.300 peak 3989 spectrum 1 weight 0.10000E+01 volume 0.12809E-02 ppm1 8.279 ppm2 5.090 CV 1 ASSI { 3991} (( segid " " and resid 191 and name HN )) (( segid " " and resid 189 and name HB2 )) 3.800 1.800 1.800 peak 3991 spectrum 1 weight 0.10000E+01 volume 0.44926E-02 ppm1 8.277 ppm2 4.290 CV 1 OR { 3991} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HA )) ASSI { 3992} (( segid " " and resid 191 and name HN )) (( segid " " and resid 191 and name HB3 )) 2.800 1.000 1.000 peak 3992 spectrum 1 weight 0.10000E+01 volume 0.98357E-02 ppm1 8.278 ppm2 4.015 CV 1 OR { 3992} (( segid " " and resid 191 and name HN )) (( segid " " and resid 191 and name HB2 )) ASSI { 3993} (( segid " " and resid 191 and name HN )) (( segid " " and resid 191 and name HA )) 2.900 1.100 1.100 peak 3993 spectrum 1 weight 0.10000E+01 volume 0.56929E-02 ppm1 8.278 ppm2 3.792 CV 1 ASSI { 3994} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HB2 )) 3.600 1.600 1.600 peak 3994 spectrum 1 weight 0.10000E+01 volume 0.35012E-02 ppm1 8.279 ppm2 2.240 CV 1 OR { 3994} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HB3 )) ASSI { 3995} (( segid " " and resid 191 and name HN )) (( segid " " and resid 278 and name HB2 )) 5.500 3.800 0.500 peak 3995 spectrum 1 weight 0.10000E+01 volume 0.10399E-02 ppm1 8.280 ppm2 1.304 CV 1 ASSI { 4005} (( segid " " and resid 215 and name HN )) (( segid " " and resid 214 and name HA )) 2.300 2.300 3.700 peak 4005 spectrum 1 weight 0.10000E+01 volume 0.60276E-01 ppm1 8.062 ppm2 4.603 CV 1 ASSI { 4006} (( segid " " and resid 215 and name HN )) (( segid " " and resid 213 and name HA )) 2.800 2.800 3.200 peak 4006 spectrum 1 weight 0.10000E+01 volume 0.18295E-02 ppm1 8.063 ppm2 4.168 CV 1 ASSI { 4007} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HB2 )) 2.400 0.700 0.700 peak 4007 spectrum 1 weight 0.10000E+01 volume 0.22493E-01 ppm1 8.062 ppm2 3.746 CV 1 OR { 4007} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HB3 )) ASSI { 4008} (( segid " " and resid 215 and name HN )) (( segid " " and resid 214 and name HB3 )) 2.800 1.000 1.000 peak 4008 spectrum 1 weight 0.10000E+01 volume 0.76453E-02 ppm1 8.062 ppm2 2.656 CV 1 ASSI { 4009} (( segid " " and resid 215 and name HN )) (( segid " " and resid 214 and name HB2 )) 3.600 1.700 1.700 peak 4009 spectrum 1 weight 0.10000E+01 volume 0.73829E-02 ppm1 8.062 ppm2 2.507 CV 1 ASSI { 4010} (( segid " " and resid 215 and name HN )) (( segid " " and resid 212 and name HB3 )) 3.400 1.500 1.500 peak 4010 spectrum 1 weight 0.10000E+01 volume 0.37603E-02 ppm1 8.064 ppm2 1.939 CV 1 OR { 4010} (( segid " " and resid 215 and name HN )) (( segid " " and resid 218 and name HB2 )) ASSI { 4011} (( segid " " and resid 215 and name HN )) (( segid " " and resid 212 and name HB2 )) 3.300 1.300 1.300 peak 4011 spectrum 1 weight 0.10000E+01 volume 0.46663E-02 ppm1 8.061 ppm2 1.747 CV 1 ASSI { 4012} (( segid " " and resid 215 and name HN )) (( segid " " and resid 213 and name HB3 )) 3.900 1.900 1.900 peak 4012 spectrum 1 weight 0.10000E+01 volume 0.17875E-02 ppm1 8.062 ppm2 1.486 CV 1 ASSI { 4013} (( segid " " and resid 215 and name HN )) (( segid " " and resid 217 and name HN )) 4.700 2.700 1.300 peak 4013 spectrum 1 weight 0.10000E+01 volume 0.13524E-02 ppm1 8.057 ppm2 8.312 CV 1 ASSI { 4014} (( segid " " and resid 215 and name HN )) (( segid " " and resid 216 and name HA )) 4.100 2.100 1.900 peak 4014 spectrum 1 weight 0.10000E+01 volume 0.14148E-02 ppm1 8.059 ppm2 4.419 CV 1 OR { 4014} (( segid " " and resid 215 and name HN )) (( segid " " and resid 218 and name HA )) ASSI { 4031} (( segid " " and resid 215 and name HN )) (( segid " " and resid 213 and name HN )) 4.500 2.500 1.500 peak 4031 spectrum 1 weight 0.10000E+01 volume 0.13265E-02 ppm1 8.063 ppm2 7.713 CV 1 ASSI { 4032} (( segid " " and resid 215 and name HN )) (( segid " " and resid 218 and name HG3 )) 4.700 2.800 1.300 peak 4032 spectrum 1 weight 0.10000E+01 volume 0.10014E-02 ppm1 8.059 ppm2 2.226 CV 1 OR { 4032} (( segid " " and resid 215 and name HN )) (( segid " " and resid 218 and name HG2 )) ASSI { 4033} (( segid " " and resid 215 and name HN )) (( segid " " and resid 218 and name HB3 )) 4.500 2.500 1.500 peak 4033 spectrum 1 weight 0.10000E+01 volume 0.15395E-02 ppm1 8.058 ppm2 2.071 CV 1 OR { 4033} (( segid " " and resid 215 and name HN )) (( segid " " and resid 212 and name HG2 )) OR { 4033} (( segid " " and resid 215 and name HN )) (( segid " " and resid 212 and name HG3 )) ASSI { 4037} (( segid " " and resid 11 and name HD21)) (( segid " " and resid 10 and name HN )) 4.300 2.300 1.700 peak 4037 spectrum 1 weight 0.10000E+01 volume 0.98252E-03 ppm1 7.653 ppm2 8.041 CV 1 ASSI { 4092} (( segid " " and resid 189 and name HN )) (( segid " " and resid 194 and name HA )) 2.800 1.000 1.000 peak 4092 spectrum 1 weight 0.10000E+01 volume 0.48005E-02 ppm1 7.513 ppm2 5.890 CV 1 ASSI { 4093} (( segid " " and resid 189 and name HN )) (( segid " " and resid 189 and name HA )) 3.200 1.200 1.200 peak 4093 spectrum 1 weight 0.10000E+01 volume 0.41335E-02 ppm1 7.513 ppm2 5.088 CV 1 ASSI { 4094} (( segid " " and resid 189 and name HN )) (( segid " " and resid 189 and name HB3 )) 3.300 1.400 1.400 peak 4094 spectrum 1 weight 0.10000E+01 volume 0.98156E-02 ppm1 7.513 ppm2 4.749 CV 1 ASSI { 4095} (( segid " " and resid 189 and name HN )) (( segid " " and resid 189 and name HB2 )) 2.800 1.000 1.000 peak 4095 spectrum 1 weight 0.10000E+01 volume 0.44861E-02 ppm1 7.513 ppm2 4.280 CV 1 ASSI { 4096} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HA )) 2.400 0.700 0.700 peak 4096 spectrum 1 weight 0.10000E+01 volume 0.11622E-01 ppm1 7.513 ppm2 4.144 CV 1 ASSI { 4098} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HE3 )) 4.700 2.800 1.300 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.16447E-02 ppm1 7.513 ppm2 2.185 CV 1 ASSI { 4100} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HG3 )) 4.800 2.900 1.200 peak 4100 spectrum 1 weight 0.10000E+01 volume 0.15672E-02 ppm1 7.513 ppm2 0.451 CV 1 ASSI { 4101} (( segid " " and resid 189 and name HN )) (( segid " " and resid 195 and name HN )) 4.500 2.600 1.500 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.14182E-02 ppm1 7.507 ppm2 9.436 CV 1 ASSI { 4117} (( segid " " and resid 166 and name HN )) (( segid " " and resid 177 and name HB2 )) 5.000 3.100 1.000 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 7.964 ppm2 1.605 CV 1 ASSI { 4121} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HN )) 4.500 2.500 1.500 peak 4121 spectrum 1 weight 0.10000E+01 volume 0.16089E-02 ppm1 7.516 ppm2 8.737 CV 1 ASSI { 4123} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HD3 )) 3.900 1.900 1.900 peak 4123 spectrum 1 weight 0.10000E+01 volume 0.37674E-02 ppm1 7.512 ppm2 1.126 CV 1 OR { 4123} (( segid " " and resid 189 and name HN )) ( segid " " and resid 260 and name HD2%) ASSI { 4124} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HG2 )) 4.600 2.600 1.400 peak 4124 spectrum 1 weight 0.10000E+01 volume 0.17299E-02 ppm1 7.514 ppm2 -1.300 CV 1 ASSI { 4125} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HE3 )) 4.500 2.500 1.500 peak 4125 spectrum 1 weight 0.10000E+01 volume 0.11939E-02 ppm1 7.507 ppm2 2.221 CV 1 OR { 4125} (( segid " " and resid 189 and name HN )) (( segid " " and resid 187 and name HG3 )) OR { 4125} (( segid " " and resid 189 and name HN )) (( segid " " and resid 187 and name HG2 )) ASSI { 4139} (( segid " " and resid 166 and name HN )) (( segid " " and resid 167 and name HN )) 4.200 2.200 1.800 peak 4139 spectrum 1 weight 0.10000E+01 volume 0.23960E-02 ppm1 7.967 ppm2 9.161 CV 1 ASSI { 4141} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HN )) 3.800 1.800 1.800 peak 4141 spectrum 1 weight 0.10000E+01 volume 0.41627E-02 ppm1 7.966 ppm2 7.688 CV 1 ASSI { 4143} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HA )) 2.300 0.700 0.700 peak 4143 spectrum 1 weight 0.10000E+01 volume 0.26776E-01 ppm1 7.966 ppm2 4.417 CV 1 ASSI { 4144} (( segid " " and resid 166 and name HN )) (( segid " " and resid 179 and name HA )) 4.100 2.100 1.900 peak 4144 spectrum 1 weight 0.10000E+01 volume 0.17244E-02 ppm1 7.966 ppm2 3.091 CV 1 ASSI { 4145} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HB2 )) 2.600 0.900 0.900 peak 4145 spectrum 1 weight 0.10000E+01 volume 0.15446E-01 ppm1 7.966 ppm2 2.730 CV 1 ASSI { 4146} (( segid " " and resid 166 and name HN )) ( segid " " and resid 165 and name HB% ) 2.600 0.900 0.900 peak 4146 spectrum 1 weight 0.10000E+01 volume 0.23339E-01 ppm1 7.966 ppm2 1.037 CV 1 ASSI { 4147} (( segid " " and resid 166 and name HN )) (( segid " " and resid 179 and name HN )) 4.100 2.100 1.900 peak 4147 spectrum 1 weight 0.10000E+01 volume 0.14717E-02 ppm1 7.965 ppm2 8.169 CV 1 ASSI { 4149} (( segid " " and resid 166 and name HN )) (( segid " " and resid 178 and name HA )) 4.300 2.300 1.700 peak 4149 spectrum 1 weight 0.10000E+01 volume 0.20803E-02 ppm1 7.963 ppm2 5.248 CV 1 ASSI { 4150} (( segid " " and resid 166 and name HN )) (( segid " " and resid 179 and name HB )) 4.700 2.700 1.300 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.13252E-02 ppm1 7.964 ppm2 3.777 CV 1 ASSI { 4169} (( segid " " and resid 253 and name HN )) (( segid " " and resid 231 and name HB2 )) 4.000 2.000 2.000 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.18698E-02 ppm1 8.886 ppm2 2.719 CV 1 OR { 4169} (( segid " " and resid 253 and name HN )) (( segid " " and resid 231 and name HB3 )) ASSI { 4175} (( segid " " and resid 250 and name HN )) (( segid " " and resid 233 and name HN )) 3.600 1.700 1.700 peak 4175 spectrum 1 weight 0.10000E+01 volume 0.42286E-02 ppm1 8.883 ppm2 8.391 CV 1 OR { 4175} (( segid " " and resid 253 and name HN )) (( segid " " and resid 233 and name HN )) ASSI { 4176} (( segid " " and resid 250 and name HN )) (( segid " " and resid 249 and name HN )) 3.800 1.800 1.800 peak 4176 spectrum 1 weight 0.10000E+01 volume 0.24108E-02 ppm1 8.880 ppm2 8.197 CV 1 ASSI { 4177} (( segid " " and resid 250 and name HN )) (( segid " " and resid 251 and name HN )) 2.500 0.800 0.800 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.90707E-02 ppm1 8.883 ppm2 7.608 CV 1 ASSI { 4178} (( segid " " and resid 253 and name HN )) (( segid " " and resid 232 and name HA )) 3.200 1.300 1.300 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.11915E-01 ppm1 8.884 ppm2 5.119 CV 1 OR { 4178} (( segid " " and resid 250 and name HN )) (( segid " " and resid 233 and name HA )) ASSI { 4179} (( segid " " and resid 253 and name HN )) (( segid " " and resid 252 and name HA )) 2.100 0.600 0.600 peak 4179 spectrum 1 weight 0.10000E+01 volume 0.42007E-01 ppm1 8.884 ppm2 4.985 CV 1 ASSI { 4180} (( segid " " and resid 253 and name HN )) (( segid " " and resid 253 and name HA )) 2.800 1.000 1.000 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.88731E-02 ppm1 8.884 ppm2 4.824 CV 1 ASSI { 4181} (( segid " " and resid 250 and name HN )) (( segid " " and resid 234 and name HA )) 3.600 1.600 1.600 peak 4181 spectrum 1 weight 0.10000E+01 volume 0.27417E-02 ppm1 8.880 ppm2 4.419 CV 1 OR { 4181} (( segid " " and resid 250 and name HN )) (( segid " " and resid 236 and name HA )) ASSI { 4182} (( segid " " and resid 250 and name HN )) (( segid " " and resid 250 and name HA2 )) 2.900 1.100 1.100 peak 4182 spectrum 1 weight 0.10000E+01 volume 0.10993E-01 ppm1 8.882 ppm2 4.258 CV 1 ASSI { 4183} (( segid " " and resid 250 and name HN )) (( segid " " and resid 250 and name HA1 )) 2.400 0.700 0.700 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.16035E-01 ppm1 8.883 ppm2 3.527 CV 1 ASSI { 4184} (( segid " " and resid 250 and name HN )) (( segid " " and resid 249 and name HA )) 2.100 0.600 0.600 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.28636E-01 ppm1 8.882 ppm2 3.262 CV 1 ASSI { 4185} (( segid " " and resid 250 and name HN )) (( segid " " and resid 251 and name HG3 )) 5.700 4.000 0.300 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.10590E-02 ppm1 8.880 ppm2 2.408 CV 1 ASSI { 4187} (( segid " " and resid 250 and name HN )) (( segid " " and resid 249 and name HG2 )) 3.200 1.300 1.300 peak 4187 spectrum 1 weight 0.10000E+01 volume 0.10232E-01 ppm1 8.884 ppm2 2.011 CV 1 OR { 4187} (( segid " " and resid 250 and name HN )) (( segid " " and resid 249 and name HG3 )) ASSI { 4188} (( segid " " and resid 250 and name HN )) (( segid " " and resid 249 and name HB2 )) 3.400 1.500 1.500 peak 4188 spectrum 1 weight 0.10000E+01 volume 0.76039E-02 ppm1 8.883 ppm2 1.794 CV 1 OR { 4188} (( segid " " and resid 250 and name HN )) (( segid " " and resid 249 and name HB3 )) ASSI { 4189} (( segid " " and resid 253 and name HN )) (( segid " " and resid 268 and name HD3 )) 5.000 3.200 1.000 peak 4189 spectrum 1 weight 0.10000E+01 volume 0.12990E-02 ppm1 8.883 ppm2 1.593 CV 1 OR { 4189} (( segid " " and resid 250 and name HN )) (( segid " " and resid 268 and name HD3 )) ASSI { 4190} (( segid " " and resid 250 and name HN )) ( segid " " and resid 233 and name HB% ) 2.300 0.700 0.700 peak 4190 spectrum 1 weight 0.10000E+01 volume 0.25773E-01 ppm1 8.884 ppm2 1.434 CV 1 OR { 4190} (( segid " " and resid 253 and name HN )) ( segid " " and resid 252 and name HB% ) ! ASSI { 4191} ! (( segid " " and resid 250 and name HN )) ! (( segid " " and resid 235 and name HD3 )) ! 4.400 2.400 1.600 peak 4191 spectrum 1 weight 0.10000E+01 volume 0.12396E-02 ppm1 8.882 ppm2 1.261 CV 1 ASSI { 4192} (( segid " " and resid 253 and name HN )) ( segid " " and resid 253 and name HG1%) 3.200 1.300 1.300 peak 4192 spectrum 1 weight 0.10000E+01 volume 0.10482E-01 ppm1 8.884 ppm2 0.745 CV 1 ASSI { 4193} (( segid " " and resid 253 and name HN )) ( segid " " and resid 253 and name HG2%) 2.400 0.700 0.700 peak 4193 spectrum 1 weight 0.10000E+01 volume 0.19917E-01 ppm1 8.884 ppm2 0.464 CV 1 ASSI { 4205} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HN )) 4.100 2.100 1.900 peak 4205 spectrum 1 weight 0.10000E+01 volume 0.31974E-02 ppm1 8.270 ppm2 8.832 CV 1 ASSI { 4206} (( segid " " and resid 160 and name HN )) (( segid " " and resid 215 and name HN )) 4.000 2.000 2.000 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.15124E-02 ppm1 8.265 ppm2 8.088 CV 1 ASSI { 4215} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 4215 spectrum 1 weight 0.10000E+01 volume 0.98403E-02 ppm1 8.056 ppm2 7.385 CV 1 ASSI { 4216} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HD22)) 4.700 2.800 1.300 peak 4216 spectrum 1 weight 0.10000E+01 volume 0.99271E-03 ppm1 8.055 ppm2 7.123 CV 1 ! OR { 4216} ! (( segid " " and resid 10 and name HN )) ! (( segid " " and resid 204 and name HH2 )) ASSI { 4218} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.800 1.000 1.000 peak 4218 spectrum 1 weight 0.10000E+01 volume 0.10306E-01 ppm1 8.056 ppm2 4.168 CV 1 ASSI { 4219} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 2.100 0.600 0.600 peak 4219 spectrum 1 weight 0.10000E+01 volume 0.39255E-01 ppm1 8.056 ppm2 3.798 CV 1 ASSI { 4220} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) 4.600 2.600 1.400 peak 4220 spectrum 1 weight 0.10000E+01 volume 0.11849E-02 ppm1 8.055 ppm2 2.709 CV 1 ASSI { 4221} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB3 )) 3.700 1.700 1.700 peak 4221 spectrum 1 weight 0.10000E+01 volume 0.61994E-02 ppm1 8.057 ppm2 1.805 CV 1 ASSI { 4222} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.800 1.800 1.800 peak 4222 spectrum 1 weight 0.10000E+01 volume 0.37742E-02 ppm1 8.057 ppm2 0.670 CV 1 ASSI { 4223} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HN )) 3.300 1.300 1.300 peak 4223 spectrum 1 weight 0.10000E+01 volume 0.39084E-02 ppm1 7.968 ppm2 7.337 CV 1 ASSI { 4226} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HA2 )) 3.100 1.200 1.200 peak 4226 spectrum 1 weight 0.10000E+01 volume 0.62453E-02 ppm1 7.969 ppm2 3.998 CV 1 OR { 4226} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HA1 )) ASSI { 4256} (( segid " " and resid 250 and name HN )) (( segid " " and resid 235 and name HN )) 4.000 2.000 2.000 peak 4256 spectrum 1 weight 0.10000E+01 volume 0.98096E-03 ppm1 8.888 ppm2 7.461 CV 1 ASSI { 4259} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HN )) 4.200 2.200 1.800 peak 4259 spectrum 1 weight 0.10000E+01 volume 0.22588E-02 ppm1 8.269 ppm2 9.114 CV 1 ASSI { 4263} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 2.700 0.900 0.900 peak 4263 spectrum 1 weight 0.10000E+01 volume 0.72508E-02 ppm1 8.268 ppm2 5.567 CV 1 ASSI { 4266} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.100 0.500 0.500 peak 4266 spectrum 1 weight 0.10000E+01 volume 0.41922E-01 ppm1 8.268 ppm2 4.389 CV 1 ASSI { 4267} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB )) 3.200 1.300 1.300 peak 4267 spectrum 1 weight 0.10000E+01 volume 0.52998E-02 ppm1 8.269 ppm2 3.984 CV 1 ASSI { 4268} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HG2 )) 3.900 1.900 1.900 peak 4268 spectrum 1 weight 0.10000E+01 volume 0.57899E-02 ppm1 8.269 ppm2 2.455 CV 1 OR { 4268} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HG3 )) ASSI { 4269} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB3 )) 3.600 1.600 1.600 peak 4269 spectrum 1 weight 0.10000E+01 volume 0.67211E-02 ppm1 8.268 ppm2 2.158 CV 1 ASSI { 4270} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HG2%) 3.300 1.400 1.400 peak 4270 spectrum 1 weight 0.10000E+01 volume 0.70586E-02 ppm1 8.268 ppm2 1.192 CV 1 ASSI { 4271} (( segid " " and resid 160 and name HN )) ( segid " " and resid 156 and name HG2%) 4.200 2.200 1.800 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.26570E-02 ppm1 8.269 ppm2 0.829 CV 1 ASSI { 4424} (( segid " " and resid 15 and name HE )) (( segid " " and resid 15 and name HB2 )) 4.400 2.400 1.600 peak 4424 spectrum 1 weight 0.10000E+01 volume 0.13066E-02 ppm1 5.699 ppm2 0.935 CV 1 ASSI { 4427} (( segid " " and resid 15 and name HE )) (( segid " " and resid 16 and name HD2 )) 4.100 2.100 1.900 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.11610E-02 ppm1 5.690 ppm2 3.087 CV 1 ASSI { 4428} (( segid " " and resid 15 and name HE )) (( segid " " and resid 15 and name HD3 )) 3.500 1.600 1.600 peak 4428 spectrum 1 weight 0.10000E+01 volume 0.23150E-02 ppm1 5.695 ppm2 1.592 CV 1 ASSI { 4429} (( segid " " and resid 15 and name HE )) (( segid " " and resid 15 and name HG2 )) 3.900 1.900 1.900 peak 4429 spectrum 1 weight 0.10000E+01 volume 0.17014E-02 ppm1 5.695 ppm2 0.127 CV 1 ASSI { 4430} (( segid " " and resid 15 and name HE )) (( segid " " and resid 15 and name HD2 )) 3.300 1.400 1.400 peak 4430 spectrum 1 weight 0.10000E+01 volume 0.34897E-02 ppm1 5.690 ppm2 0.724 CV 1 OR { 4430} (( segid " " and resid 15 and name HE )) (( segid " " and resid 15 and name HG3 )) ASSI { 4452} (( segid " " and resid 15 and name HE )) (( segid " " and resid 15 and name HB3 )) 4.200 2.200 1.800 peak 4452 spectrum 1 weight 0.10000E+01 volume 0.15522E-02 ppm1 5.693 ppm2 1.308 CV 1 ASSI { 4533} (( segid " " and resid 284 and name HN )) (( segid " " and resid 230 and name HG3 )) 4.400 2.400 1.600 peak 4533 spectrum 1 weight 0.10000E+01 volume 0.17444E-02 ppm1 8.411 ppm2 2.280 CV 1 ASSI { 4534} (( segid " " and resid 284 and name HN )) (( segid " " and resid 282 and name HB3 )) 4.700 2.700 1.300 peak 4534 spectrum 1 weight 0.10000E+01 volume 0.24262E-02 ppm1 8.409 ppm2 1.524 CV 1 ASSI { 4535} (( segid " " and resid 284 and name HN )) (( segid " " and resid 282 and name HG3 )) 3.800 1.800 1.800 peak 4535 spectrum 1 weight 0.10000E+01 volume 0.31799E-02 ppm1 8.409 ppm2 1.108 CV 1 OR { 4535} (( segid " " and resid 284 and name HN )) (( segid " " and resid 282 and name HG2 )) ASSI { 4536} (( segid " " and resid 284 and name HN )) ( segid " " and resid 232 and name HG2%) 2.700 2.700 3.300 peak 4536 spectrum 1 weight 0.10000E+01 volume 0.21977E-02 ppm1 8.411 ppm2 0.764 CV 1 ASSI { 4543} (( segid " " and resid 284 and name HN )) (( segid " " and resid 283 and name HN )) 2.500 0.800 0.800 peak 4543 spectrum 1 weight 0.10000E+01 volume 0.41129E-02 ppm1 8.408 ppm2 7.919 CV 1 ASSI { 4547} (( segid " " and resid 284 and name HN )) (( segid " " and resid 283 and name HA )) 2.400 0.700 0.700 peak 4547 spectrum 1 weight 0.10000E+01 volume 0.28774E-01 ppm1 8.408 ppm2 4.354 CV 1 OR { 4547} (( segid " " and resid 284 and name HN )) (( segid " " and resid 285 and name HA )) ASSI { 4548} (( segid " " and resid 284 and name HN )) (( segid " " and resid 284 and name HA1 )) 2.000 0.500 0.500 peak 4548 spectrum 1 weight 0.10000E+01 volume 0.40115E-01 ppm1 8.408 ppm2 3.936 CV 1 OR { 4548} (( segid " " and resid 284 and name HN )) (( segid " " and resid 284 and name HA2 )) ASSI { 4549} (( segid " " and resid 284 and name HN )) (( segid " " and resid 283 and name HB2 )) 3.100 1.200 1.200 peak 4549 spectrum 1 weight 0.10000E+01 volume 0.93455E-02 ppm1 8.408 ppm2 3.586 CV 1 OR { 4549} (( segid " " and resid 284 and name HN )) (( segid " " and resid 283 and name HB3 )) ASSI { 4550} (( segid " " and resid 284 and name HN )) (( segid " " and resid 282 and name HE2 )) 3.500 1.600 1.600 peak 4550 spectrum 1 weight 0.10000E+01 volume 0.11098E-02 ppm1 8.403 ppm2 2.953 CV 1 OR { 4550} (( segid " " and resid 284 and name HN )) (( segid " " and resid 282 and name HE3 )) ASSI { 4551} (( segid " " and resid 284 and name HN )) (( segid " " and resid 282 and name HA )) 4.300 2.400 1.700 peak 4551 spectrum 1 weight 0.10000E+01 volume 0.12264E-02 ppm1 8.405 ppm2 2.820 CV 1 ASSI { 4552} (( segid " " and resid 284 and name HN )) (( segid " " and resid 230 and name HG2 )) 3.700 1.700 1.700 peak 4552 spectrum 1 weight 0.10000E+01 volume 0.14533E-02 ppm1 8.408 ppm2 2.036 CV 1 OR { 4552} (( segid " " and resid 284 and name HN )) (( segid " " and resid 230 and name HB2 )) ASSI { 4553} (( segid " " and resid 284 and name HN )) (( segid " " and resid 282 and name HB2 )) 4.300 2.300 1.700 peak 4553 spectrum 1 weight 0.10000E+01 volume 0.11905E-02 ppm1 8.407 ppm2 1.360 CV 1 ASSI { 4617} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 2.700 0.900 0.900 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.14633E-01 ppm1 8.153 ppm2 4.339 CV 1 ASSI { 4618} (( segid " " and resid 154 and name HN )) (( segid " " and resid 156 and name HA )) 2.800 2.800 3.200 peak 4618 spectrum 1 weight 0.10000E+01 volume 0.11358E-01 ppm1 8.153 ppm2 4.148 CV 1 ASSI { 4620} (( segid " " and resid 154 and name HN )) ( segid " " and resid 153 and name HG2%) 4.000 2.000 2.000 peak 4620 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 8.152 ppm2 1.169 CV 1 ASSI { 4621} (( segid " " and resid 154 and name HN )) ( segid " " and resid 152 and name HD1%) 3.300 1.300 1.300 peak 4621 spectrum 1 weight 0.10000E+01 volume 0.15505E-02 ppm1 8.150 ppm2 0.855 CV 1 OR { 4621} (( segid " " and resid 154 and name HN )) ( segid " " and resid 156 and name HD1%) OR { 4621} (( segid " " and resid 154 and name HN )) ( segid " " and resid 156 and name HG2%) ASSI { 4713} (( segid " " and resid 273 and name HN )) (( segid " " and resid 266 and name HN )) 2.800 1.000 1.000 peak 4713 spectrum 1 weight 0.10000E+01 volume 0.65787E-02 ppm1 8.561 ppm2 9.468 CV 1 ASSI { 4714} (( segid " " and resid 273 and name HN )) (( segid " " and resid 274 and name HN )) 4.400 2.400 1.600 peak 4714 spectrum 1 weight 0.10000E+01 volume 0.13484E-02 ppm1 8.562 ppm2 9.146 CV 1 ASSI { 4715} (( segid " " and resid 273 and name HN )) (( segid " " and resid 268 and name HN )) 4.800 2.900 1.200 peak 4715 spectrum 1 weight 0.10000E+01 volume 0.16767E-02 ppm1 8.558 ppm2 8.961 CV 1 ASSI { 4717} (( segid " " and resid 273 and name HN )) (( segid " " and resid 272 and name HN )) 4.200 2.200 1.800 peak 4717 spectrum 1 weight 0.10000E+01 volume 0.20755E-02 ppm1 8.562 ppm2 8.143 CV 1 ASSI { 4718} (( segid " " and resid 273 and name HN )) (( segid " " and resid 272 and name HA )) 2.100 0.600 0.600 peak 4718 spectrum 1 weight 0.10000E+01 volume 0.27137E-01 ppm1 8.562 ppm2 5.558 CV 1 ASSI { 4719} (( segid " " and resid 273 and name HN )) (( segid " " and resid 267 and name HA )) 4.000 2.000 2.000 peak 4719 spectrum 1 weight 0.10000E+01 volume 0.45417E-02 ppm1 8.560 ppm2 5.309 CV 1 ASSI { 4720} (( segid " " and resid 273 and name HN )) (( segid " " and resid 265 and name HA )) 3.900 1.900 1.900 peak 4720 spectrum 1 weight 0.10000E+01 volume 0.33240E-02 ppm1 8.562 ppm2 4.309 CV 1 ASSI { 4721} (( segid " " and resid 273 and name HN )) (( segid " " and resid 273 and name HA2 )) 2.700 0.900 0.900 peak 4721 spectrum 1 weight 0.10000E+01 volume 0.10490E-01 ppm1 8.562 ppm2 3.993 CV 1 OR { 4721} (( segid " " and resid 273 and name HN )) (( segid " " and resid 273 and name HA1 )) ASSI { 4722} (( segid " " and resid 273 and name HN )) (( segid " " and resid 266 and name HG13)) 3.900 1.900 1.900 peak 4722 spectrum 1 weight 0.10000E+01 volume 0.33150E-02 ppm1 8.562 ppm2 1.322 CV 1 ASSI { 4723} (( segid " " and resid 273 and name HN )) (( segid " " and resid 256 and name HG12)) 2.900 2.900 3.100 peak 4723 spectrum 1 weight 0.10000E+01 volume 0.11321E-01 ppm1 8.562 ppm2 1.009 CV 1 ASSI { 4724} (( segid " " and resid 273 and name HN )) ( segid " " and resid 265 and name HG2%) 2.700 0.900 0.900 peak 4724 spectrum 1 weight 0.10000E+01 volume 0.12104E-01 ppm1 8.562 ppm2 0.728 CV 1 ASSI { 4725} (( segid " " and resid 273 and name HN )) ( segid " " and resid 266 and name HG2%) 4.200 2.200 1.800 peak 4725 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 8.560 ppm2 0.546 CV 1 ASSI { 4748} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.800 1.000 1.000 peak 4748 spectrum 1 weight 0.10000E+01 volume 0.10765E-01 ppm1 8.411 ppm2 4.267 CV 1 ASSI { 4749} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA2 )) 2.900 1.100 1.100 peak 4749 spectrum 1 weight 0.10000E+01 volume 0.95997E-02 ppm1 8.411 ppm2 3.913 CV 1 OR { 4749} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA1 )) ASSI { 4750} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB3 )) 3.900 1.900 1.900 peak 4750 spectrum 1 weight 0.10000E+01 volume 0.17485E-02 ppm1 8.411 ppm2 1.571 CV 1 OR { 4750} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB2 )) ASSI { 4751} (( segid " " and resid 4 and name HN )) ( segid " " and resid 3 and name HD2%) 4.600 2.600 1.400 peak 4751 spectrum 1 weight 0.10000E+01 volume 0.10146E-02 ppm1 8.413 ppm2 0.844 CV 1 ASSI { 4762} (( segid " " and resid 208 and name HN )) (( segid " " and resid 261 and name HA )) 3.500 1.500 1.500 peak 4762 spectrum 1 weight 0.10000E+01 volume 0.19449E-02 ppm1 8.372 ppm2 4.110 CV 1 ASSI { 4763} (( segid " " and resid 208 and name HN )) (( segid " " and resid 208 and name HB3 )) 3.200 1.300 1.300 peak 4763 spectrum 1 weight 0.10000E+01 volume 0.52515E-02 ppm1 8.368 ppm2 3.843 CV 1 ASSI { 4764} (( segid " " and resid 208 and name HN )) (( segid " " and resid 208 and name HB2 )) 3.200 1.300 1.300 peak 4764 spectrum 1 weight 0.10000E+01 volume 0.38181E-02 ppm1 8.369 ppm2 3.764 CV 1 ASSI { 4765} (( segid " " and resid 208 and name HN )) (( segid " " and resid 261 and name HB3 )) 4.000 2.000 2.000 peak 4765 spectrum 1 weight 0.10000E+01 volume 0.24169E-02 ppm1 8.370 ppm2 2.986 CV 1 ASSI { 4766} (( segid " " and resid 208 and name HN )) (( segid " " and resid 209 and name HB2 )) 4.500 2.600 1.500 peak 4766 spectrum 1 weight 0.10000E+01 volume 0.12783E-02 ppm1 8.372 ppm2 2.837 CV 1 ! OR { 4766} ! (( segid " " and resid 208 and name HN )) ! (( segid " " and resid 17 and name HD2 )) ASSI { 4767} (( segid " " and resid 208 and name HN )) (( segid " " and resid 207 and name HA )) 3.700 1.700 1.700 peak 4767 spectrum 1 weight 0.10000E+01 volume 0.21353E-02 ppm1 8.369 ppm2 2.520 CV 1 ASSI { 4768} (( segid " " and resid 208 and name HN )) (( segid " " and resid 210 and name HB2 )) 4.100 2.100 1.900 peak 4768 spectrum 1 weight 0.10000E+01 volume 0.21225E-02 ppm1 8.371 ppm2 1.335 CV 1 ASSI { 4769} (( segid " " and resid 208 and name HN )) ( segid " " and resid 207 and name HB% ) 3.000 1.200 1.200 peak 4769 spectrum 1 weight 0.10000E+01 volume 0.61931E-02 ppm1 8.368 ppm2 -0.383 CV 1 ASSI { 4772} (( segid " " and resid 208 and name HN )) (( segid " " and resid 209 and name HN )) 3.000 1.100 1.100 peak 4772 spectrum 1 weight 0.10000E+01 volume 0.45788E-02 ppm1 8.367 ppm2 7.602 CV 1 ASSI { 4773} (( segid " " and resid 208 and name HN )) (( segid " " and resid 208 and name HA )) 3.000 1.200 1.200 peak 4773 spectrum 1 weight 0.10000E+01 volume 0.63430E-02 ppm1 8.368 ppm2 3.993 CV 1 OR { 4773} (( segid " " and resid 208 and name HN )) (( segid " " and resid 206 and name HA )) ASSI { 4774} (( segid " " and resid 208 and name HN )) (( segid " " and resid 261 and name HB2 )) 4.200 2.200 1.800 peak 4774 spectrum 1 weight 0.10000E+01 volume 0.24714E-02 ppm1 8.365 ppm2 2.339 CV 1 ASSI { 4775} (( segid " " and resid 208 and name HN )) (( segid " " and resid 210 and name HB3 )) 4.200 2.200 1.800 peak 4775 spectrum 1 weight 0.10000E+01 volume 0.26318E-02 ppm1 8.366 ppm2 1.652 CV 1 OR { 4775} (( segid " " and resid 208 and name HN )) (( segid " " and resid 259 and name HB2 )) ASSI { 4792} (( segid " " and resid 208 and name HN )) ( segid " " and resid 209 and name HD% ) 4.500 2.500 1.500 peak 4792 spectrum 1 weight 0.10000E+01 volume 0.14390E-02 ppm1 8.367 ppm2 7.175 CV 1 ASSI { 4877} (( segid " " and resid 242 and name HN )) (( segid " " and resid 243 and name HN )) 3.000 1.100 1.100 peak 4877 spectrum 1 weight 0.10000E+01 volume 0.31445E-02 ppm1 8.862 ppm2 8.190 CV 1 ASSI { 4879} (( segid " " and resid 242 and name HN )) (( segid " " and resid 241 and name HA )) 3.000 1.100 1.100 peak 4879 spectrum 1 weight 0.10000E+01 volume 0.11206E-01 ppm1 8.861 ppm2 4.514 CV 1 ASSI { 4880} (( segid " " and resid 242 and name HN )) (( segid " " and resid 242 and name HA2 )) 2.700 0.900 0.900 peak 4880 spectrum 1 weight 0.10000E+01 volume 0.88883E-02 ppm1 8.862 ppm2 4.002 CV 1 ASSI { 4881} (( segid " " and resid 242 and name HN )) (( segid " " and resid 242 and name HA1 )) 2.900 1.100 1.100 peak 4881 spectrum 1 weight 0.10000E+01 volume 0.91867E-02 ppm1 8.862 ppm2 3.861 CV 1 ASSI { 4882} (( segid " " and resid 242 and name HN )) (( segid " " and resid 241 and name HG3 )) 4.100 2.100 1.900 peak 4882 spectrum 1 weight 0.10000E+01 volume 0.61312E-02 ppm1 8.861 ppm2 2.187 CV 1 ASSI { 4883} (( segid " " and resid 242 and name HN )) (( segid " " and resid 241 and name HB2 )) 3.000 1.100 1.100 peak 4883 spectrum 1 weight 0.10000E+01 volume 0.33007E-02 ppm1 8.863 ppm2 1.642 CV 1 ASSI { 4911} (( segid " " and resid 192 and name HN )) (( segid " " and resid 190 and name HA )) 3.300 1.400 1.400 peak 4911 spectrum 1 weight 0.10000E+01 volume 0.35158E-02 ppm1 7.610 ppm2 4.292 CV 1 OR { 4911} (( segid " " and resid 192 and name HN )) (( segid " " and resid 189 and name HB2 )) ASSI { 4912} (( segid " " and resid 192 and name HN )) (( segid " " and resid 192 and name HA2 )) 3.100 1.200 1.200 peak 4912 spectrum 1 weight 0.10000E+01 volume 0.75032E-02 ppm1 7.611 ppm2 4.088 CV 1 ASSI { 4913} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HA )) 3.400 1.500 1.500 peak 4913 spectrum 1 weight 0.10000E+01 volume 0.27203E-02 ppm1 7.611 ppm2 3.788 CV 1 ASSI { 4914} (( segid " " and resid 192 and name HN )) (( segid " " and resid 192 and name HA1 )) 2.700 0.900 0.900 peak 4914 spectrum 1 weight 0.10000E+01 volume 0.89318E-02 ppm1 7.610 ppm2 3.553 CV 1 ASSI { 4916} (( segid " " and resid 192 and name HN )) (( segid " " and resid 190 and name HB3 )) 3.900 1.900 1.900 peak 4916 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 7.614 ppm2 2.236 CV 1 ASSI { 4918} (( segid " " and resid 192 and name HN )) ( segid " " and resid 260 and name HD1%) 4.100 2.100 1.900 peak 4918 spectrum 1 weight 0.10000E+01 volume 0.14404E-02 ppm1 7.615 ppm2 1.068 CV 1 ASSI { 4919} (( segid " " and resid 192 and name HN )) ( segid " " and resid 207 and name HB% ) 4.200 2.200 1.800 peak 4919 spectrum 1 weight 0.10000E+01 volume 0.16357E-02 ppm1 7.611 ppm2 -0.377 CV 1 ASSI { 4920} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HN )) 3.100 1.200 1.200 peak 4920 spectrum 1 weight 0.10000E+01 volume 0.44568E-02 ppm1 7.609 ppm2 8.280 CV 1 ASSI { 4924} (( segid " " and resid 192 and name HN )) (( segid " " and resid 193 and name HB2 )) 4.500 2.500 1.500 peak 4924 spectrum 1 weight 0.10000E+01 volume 0.14131E-02 ppm1 7.607 ppm2 2.790 CV 1 ASSI { 4925} (( segid " " and resid 192 and name HN )) (( segid " " and resid 278 and name HB2 )) 5.200 3.300 1.800 peak 4925 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 7.605 ppm2 1.353 CV 1 ASSI { 4940} (( segid " " and resid 203 and name HN )) (( segid " " and resid 195 and name HA )) 4.000 2.000 2.000 peak 4940 spectrum 1 weight 0.10000E+01 volume 0.20347E-02 ppm1 7.861 ppm2 4.071 CV 1 ASSI { 4942} (( segid " " and resid 203 and name HN )) (( segid " " and resid 175 and name HG3 )) 4.300 2.300 1.700 peak 4942 spectrum 1 weight 0.10000E+01 volume 0.13963E-02 ppm1 7.861 ppm2 2.324 CV 1 ASSI { 4943} (( segid " " and resid 203 and name HN )) ( segid " " and resid 198 and name HE% ) 4.900 3.000 1.100 peak 4943 spectrum 1 weight 0.10000E+01 volume 0.16447E-02 ppm1 7.863 ppm2 2.136 CV 1 ASSI { 4957} (( segid " " and resid 203 and name HN )) (( segid " " and resid 195 and name HB3 )) 3.900 1.900 1.900 peak 4957 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 7.865 ppm2 2.309 CV 1 ASSI { 4958} (( segid " " and resid 203 and name HN )) (( segid " " and resid 198 and name HB2 )) 2.700 2.700 3.300 peak 4958 spectrum 1 weight 0.10000E+01 volume 0.29626E-02 ppm1 7.865 ppm2 1.859 CV 1 OR { 4958} (( segid " " and resid 203 and name HN )) (( segid " " and resid 201 and name HB2 )) OR { 4958} (( segid " " and resid 203 and name HN )) (( segid " " and resid 6 and name HB3 )) OR { 4958} (( segid " " and resid 203 and name HN )) (( segid " " and resid 177 and name HB3 )) ASSI { 4959} (( segid " " and resid 203 and name HN )) (( segid " " and resid 198 and name HN )) 4.300 2.300 1.700 peak 4959 spectrum 1 weight 0.10000E+01 volume 0.21094E-02 ppm1 7.863 ppm2 8.784 CV 1 OR { 4959} (( segid " " and resid 203 and name HN )) (( segid " " and resid 204 and name HN )) ASSI { 4960} (( segid " " and resid 203 and name HN )) (( segid " " and resid 196 and name HN )) 3.000 1.100 1.100 peak 4960 spectrum 1 weight 0.10000E+01 volume 0.62125E-02 ppm1 7.864 ppm2 8.194 CV 1 ASSI { 4964} (( segid " " and resid 203 and name HN )) (( segid " " and resid 202 and name HA )) 2.300 0.600 0.600 peak 4964 spectrum 1 weight 0.10000E+01 volume 0.25838E-01 ppm1 7.862 ppm2 5.160 CV 1 ASSI { 4965} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HA2 )) 2.900 1.100 1.100 peak 4965 spectrum 1 weight 0.10000E+01 volume 0.63938E-02 ppm1 7.862 ppm2 3.864 CV 1 ASSI { 4966} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HA1 )) 2.900 1.000 1.000 peak 4966 spectrum 1 weight 0.10000E+01 volume 0.66646E-02 ppm1 7.862 ppm2 3.671 CV 1 ASSI { 4967} (( segid " " and resid 203 and name HN )) (( segid " " and resid 202 and name HD2 )) 4.900 3.000 1.100 peak 4967 spectrum 1 weight 0.10000E+01 volume 0.99286E-03 ppm1 7.864 ppm2 3.102 CV 1 ASSI { 4968} (( segid " " and resid 203 and name HN )) (( segid " " and resid 202 and name HB3 )) 2.500 0.800 0.800 peak 4968 spectrum 1 weight 0.10000E+01 volume 0.12088E-01 ppm1 7.863 ppm2 1.637 CV 1 ASSI { 4969} (( segid " " and resid 203 and name HN )) (( segid " " and resid 175 and name HB2 )) 2.800 1.000 1.000 peak 4969 spectrum 1 weight 0.10000E+01 volume 0.93370E-02 ppm1 7.863 ppm2 1.490 CV 1 OR { 4969} (( segid " " and resid 203 and name HN )) (( segid " " and resid 202 and name HG2 )) ASSI { 4970} (( segid " " and resid 203 and name HN )) ( segid " " and resid 205 and name HD1%) 4.000 2.000 2.000 peak 4970 spectrum 1 weight 0.10000E+01 volume 0.15090E-02 ppm1 7.860 ppm2 0.946 CV 1 OR { 4970} (( segid " " and resid 203 and name HN )) ( segid " " and resid 177 and name HD2%) ASSI { 4971} (( segid " " and resid 203 and name HN )) ( segid " " and resid 186 and name HG1%) 3.100 1.200 1.200 peak 4971 spectrum 1 weight 0.10000E+01 volume 0.10688E-02 ppm1 7.862 ppm2 0.719 CV 1 ASSI { 5041} (( segid " " and resid 262 and name HN )) (( segid " " and resid 263 and name HN )) 3.000 1.100 1.100 peak 5041 spectrum 1 weight 0.10000E+01 volume 0.92675E-02 ppm1 7.686 ppm2 8.411 CV 1 ASSI { 5042} (( segid " " and resid 262 and name HN )) (( segid " " and resid 261 and name HN )) 2.800 1.000 1.000 peak 5042 spectrum 1 weight 0.10000E+01 volume 0.80205E-02 ppm1 7.686 ppm2 7.868 CV 1 ASSI { 5044} (( segid " " and resid 262 and name HN )) (( segid " " and resid 264 and name HD1 )) 3.600 1.600 1.600 peak 5044 spectrum 1 weight 0.10000E+01 volume 0.21130E-02 ppm1 7.684 ppm2 7.154 CV 1 ASSI { 5047} (( segid " " and resid 262 and name HN )) (( segid " " and resid 260 and name HA )) 3.400 1.400 1.400 peak 5047 spectrum 1 weight 0.10000E+01 volume 0.28506E-02 ppm1 7.685 ppm2 4.201 CV 1 ASSI { 5048} (( segid " " and resid 262 and name HN )) (( segid " " and resid 192 and name HA2 )) 3.500 1.500 1.500 peak 5048 spectrum 1 weight 0.10000E+01 volume 0.49208E-02 ppm1 7.688 ppm2 4.112 CV 1 OR { 5048} (( segid " " and resid 262 and name HN )) (( segid " " and resid 261 and name HA )) ASSI { 5049} (( segid " " and resid 262 and name HN )) (( segid " " and resid 262 and name HA2 )) 3.100 1.200 1.200 peak 5049 spectrum 1 weight 0.10000E+01 volume 0.79900E-02 ppm1 7.686 ppm2 3.911 CV 1 ASSI { 5051} (( segid " " and resid 262 and name HN )) (( segid " " and resid 262 and name HA1 )) 2.600 0.800 0.800 peak 5051 spectrum 1 weight 0.10000E+01 volume 0.99596E-02 ppm1 7.686 ppm2 3.226 CV 1 ASSI { 5052} (( segid " " and resid 262 and name HN )) (( segid " " and resid 261 and name HB2 )) 4.100 2.100 1.900 peak 5052 spectrum 1 weight 0.10000E+01 volume 0.12590E-02 ppm1 7.684 ppm2 2.337 CV 1 ASSI { 5054} (( segid " " and resid 262 and name HN )) (( segid " " and resid 259 and name HB2 )) 4.100 2.100 1.900 peak 5054 spectrum 1 weight 0.10000E+01 volume 0.20774E-02 ppm1 7.684 ppm2 1.690 CV 1 ASSI { 5055} (( segid " " and resid 262 and name HN )) ( segid " " and resid 259 and name HD1%) 3.900 1.900 1.900 peak 5055 spectrum 1 weight 0.10000E+01 volume 0.17620E-02 ppm1 7.688 ppm2 1.057 CV 1 ASSI { 5056} (( segid " " and resid 262 and name HN )) ( segid " " and resid 259 and name HD2%) 4.400 2.400 1.600 peak 5056 spectrum 1 weight 0.10000E+01 volume 0.10981E-02 ppm1 7.685 ppm2 0.557 CV 1 ASSI { 5057} (( segid " " and resid 262 and name HN )) ( segid " " and resid 207 and name HB% ) 3.300 1.300 1.300 peak 5057 spectrum 1 weight 0.10000E+01 volume 0.99343E-03 ppm1 7.690 ppm2 -0.391 CV 1 OR { 5057} (( segid " " and resid 262 and name HN )) (( segid " " and resid 276 and name HG2 )) ASSI { 5058} (( segid " " and resid 262 and name HN )) (( segid " " and resid 260 and name HB3 )) 4.000 2.000 2.000 peak 5058 spectrum 1 weight 0.10000E+01 volume 0.12091E-02 ppm1 7.681 ppm2 1.914 CV 1 OR { 5058} (( segid " " and resid 262 and name HN )) ( segid " " and resid 278 and name HE% ) ASSI { 5065} (( segid " " and resid 228 and name HN )) (( segid " " and resid 256 and name HA )) 3.900 1.900 1.900 peak 5065 spectrum 1 weight 0.10000E+01 volume 0.18570E-02 ppm1 7.247 ppm2 4.500 CV 1 ASSI { 5070} (( segid " " and resid 228 and name HN )) ( segid " " and resid 256 and name HD1%) 4.200 2.200 1.800 peak 5070 spectrum 1 weight 0.10000E+01 volume 0.20359E-02 ppm1 7.246 ppm2 0.626 CV 1 ASSI { 5082} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HN )) 2.700 0.900 0.900 peak 5082 spectrum 1 weight 0.10000E+01 volume 0.12812E-01 ppm1 7.244 ppm2 7.973 CV 1 OR { 5082} (( segid " " and resid 228 and name HN )) (( segid " " and resid 229 and name HN )) ASSI { 5086} (( segid " " and resid 228 and name HN )) (( segid " " and resid 225 and name HA )) 3.800 1.800 1.800 peak 5086 spectrum 1 weight 0.10000E+01 volume 0.31282E-02 ppm1 7.244 ppm2 4.754 CV 1 ASSI { 5087} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HA )) 3.100 1.200 1.200 peak 5087 spectrum 1 weight 0.10000E+01 volume 0.56791E-02 ppm1 7.242 ppm2 4.205 CV 1 ASSI { 5088} (( segid " " and resid 228 and name HN )) (( segid " " and resid 228 and name HA1 )) 2.600 0.800 0.800 peak 5088 spectrum 1 weight 0.10000E+01 volume 0.12013E-01 ppm1 7.244 ppm2 3.834 CV 1 OR { 5088} (( segid " " and resid 228 and name HN )) (( segid " " and resid 228 and name HA2 )) ASSI { 5089} (( segid " " and resid 228 and name HN )) (( segid " " and resid 225 and name HB2 )) 4.700 2.800 1.300 peak 5089 spectrum 1 weight 0.10000E+01 volume 0.10278E-02 ppm1 7.245 ppm2 2.575 CV 1 ASSI { 5090} (( segid " " and resid 228 and name HN )) ( segid " " and resid 227 and name HB% ) 3.100 1.200 1.200 peak 5090 spectrum 1 weight 0.10000E+01 volume 0.98238E-02 ppm1 7.243 ppm2 1.435 CV 1 ASSI { 5091} (( segid " " and resid 228 and name HN )) ( segid " " and resid 256 and name HG2%) 4.100 2.100 1.900 peak 5091 spectrum 1 weight 0.10000E+01 volume 0.17637E-02 ppm1 7.243 ppm2 0.493 CV 1
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