NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
22289 | 2jnf | 6081 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 194} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA1 )) 2.500 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.42465E-02 ppm1 8.605 ppm2 4.146 CV 1 ASSI { 195} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA2 )) 2.100 0.600 0.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.10764E-01 ppm1 8.605 ppm2 3.874 CV 1 ASSI { 196} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA2 )) 2.200 0.600 0.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.92748E-02 ppm1 8.018 ppm2 3.817 CV 1 OR { 196} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA1 )) ASSI { 197} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA2 )) 2.400 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.47718E-02 ppm1 8.480 ppm2 3.193 CV 1 ASSI { 198} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA1 )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.42796E-02 ppm1 8.482 ppm2 3.275 CV 1 ASSI { 199} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA2 )) 2.400 0.700 0.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.45588E-02 ppm1 8.737 ppm2 3.635 CV 1 ASSI { 200} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA1 )) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.64934E-02 ppm1 8.738 ppm2 3.845 CV 1 ASSI { 203} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA2 )) 2.300 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.57024E-02 ppm1 7.805 ppm2 3.718 CV 1 ASSI { 204} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA1 )) 2.300 0.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.67932E-02 ppm1 7.805 ppm2 3.931 CV 1 ASSI { 208} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA1 )) 2.900 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.15298E-02 ppm1 10.902 ppm2 4.322 CV 1 ASSI { 209} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA2 )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.20835E-02 ppm1 10.902 ppm2 3.760 CV 1 ASSI { 213} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA1 )) 2.100 0.600 0.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.10567E-01 ppm1 7.858 ppm2 4.013 CV 1 OR { 213} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA2 )) ASSI { 217} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA2 )) 2.300 0.700 0.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.60695E-02 ppm1 8.193 ppm2 3.802 CV 1 ASSI { 218} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA1 )) 2.400 0.700 0.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.48778E-02 ppm1 8.193 ppm2 4.055 CV 1 ASSI { 220} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA2 )) 2.200 0.600 0.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.81477E-02 ppm1 8.301 ppm2 3.996 CV 1 OR { 220} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA1 )) ASSI { 221} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.300 0.700 0.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.65606E-02 ppm1 8.001 ppm2 4.125 CV 1 ASSI { 222} (( segid " " and resid 96 and name HN )) ( segid " " and resid 96 and name HB% ) 2.100 0.600 0.600 peak 222 spectrum 1 weight 0.10000E+01 volume 0.10831E-01 ppm1 8.001 ppm2 1.781 CV 1 ASSI { 223} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.500 0.800 0.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.42533E-02 ppm1 8.069 ppm2 4.105 CV 1 ASSI { 224} (( segid " " and resid 118 and name HN )) ( segid " " and resid 118 and name HB% ) 2.200 0.600 0.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.93317E-02 ppm1 8.069 ppm2 1.458 CV 1 ASSI { 225} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 2.500 0.800 0.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.40367E-02 ppm1 7.589 ppm2 4.181 CV 1 ASSI { 226} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HB% ) 2.200 0.600 0.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.80237E-02 ppm1 7.589 ppm2 1.514 CV 1 ASSI { 227} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 2.600 0.800 0.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.31816E-02 ppm1 8.026 ppm2 4.111 CV 1 ASSI { 228} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HB% ) 2.300 0.600 0.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.71138E-02 ppm1 8.026 ppm2 1.557 CV 1 ASSI { 229} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.600 0.800 0.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.29794E-02 ppm1 7.745 ppm2 4.013 CV 1 ASSI { 230} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HG2%) 2.800 1.000 1.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.20416E-02 ppm1 7.745 ppm2 1.262 CV 1 ASSI { 231} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.600 0.800 0.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.31200E-02 ppm1 8.429 ppm2 4.257 CV 1 ASSI { 232} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB3 )) 2.400 0.700 0.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.44259E-02 ppm1 8.429 ppm2 3.901 CV 1 OR { 232} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) ASSI { 233} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 2.700 0.900 0.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.23792E-02 ppm1 8.313 ppm2 4.102 CV 1 ASSI { 234} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB )) 2.300 0.700 0.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.62039E-02 ppm1 8.312 ppm2 2.020 CV 1 ASSI { 235} (( segid " " and resid 84 and name HN )) ( segid " " and resid 84 and name HG1%) 2.500 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.40837E-02 ppm1 8.312 ppm2 0.918 CV 1 OR { 235} (( segid " " and resid 84 and name HN )) ( segid " " and resid 84 and name HG2%) ASSI { 236} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 2.600 0.800 0.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.32519E-02 ppm1 8.697 ppm2 5.033 CV 1 ASSI { 237} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 3.000 1.100 1.100 peak 237 spectrum 1 weight 0.10000E+01 volume 0.13938E-02 ppm1 9.229 ppm2 4.608 CV 1 ASSI { 238} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 2.300 0.600 0.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.68966E-02 ppm1 9.229 ppm2 4.462 CV 1 ASSI { 240} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) 2.400 2.400 3.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.46850E-02 ppm1 7.296 ppm2 1.703 CV 1 ASSI { 241} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 2.900 1.100 1.100 peak 241 spectrum 1 weight 0.10000E+01 volume 0.15742E-02 ppm1 8.426 ppm2 3.737 CV 1 ASSI { 242} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HG2%) 2.300 0.600 0.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.66640E-02 ppm1 8.425 ppm2 0.886 CV 1 OR { 242} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HG1%) ASSI { 243} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB )) 2.600 2.600 3.400 peak 243 spectrum 1 weight 0.10000E+01 volume 0.30730E-02 ppm1 8.425 ppm2 2.066 CV 1 ASSI { 244} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 2.400 0.700 0.700 peak 244 spectrum 1 weight 0.10000E+01 volume 0.49709E-02 ppm1 7.914 ppm2 4.659 CV 1 ASSI { 245} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB2 )) 2.500 2.500 3.500 peak 245 spectrum 1 weight 0.10000E+01 volume 0.37311E-02 ppm1 7.912 ppm2 2.726 CV 1 ASSI { 246} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB3 )) 2.500 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.35104E-02 ppm1 7.912 ppm2 2.572 CV 1 ASSI { 249} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.800 0.900 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.21564E-02 ppm1 8.267 ppm2 4.511 CV 1 ASSI { 250} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB )) 2.100 2.100 3.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.11767E-01 ppm1 8.267 ppm2 4.005 CV 1 ASSI { 251} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HG2%) 3.000 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.14103E-02 ppm1 8.268 ppm2 1.169 CV 1 ASSI { 254} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.600 0.800 0.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.33930E-02 ppm1 7.539 ppm2 4.342 CV 1 ASSI { 255} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.700 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.24490E-02 ppm1 7.539 ppm2 3.053 CV 1 ASSI { 256} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB3 )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.34917E-02 ppm1 7.539 ppm2 2.389 CV 1 ASSI { 257} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 2.400 0.700 0.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.48649E-02 ppm1 7.595 ppm2 2.848 CV 1 ASSI { 258} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.400 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.43200E-02 ppm1 7.593 ppm2 4.392 CV 1 ASSI { 259} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.700 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.25818E-02 ppm1 8.208 ppm2 4.091 CV 1 ASSI { 260} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.300 0.700 0.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.56507E-02 ppm1 8.206 ppm2 1.940 CV 1 ASSI { 261} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB )) 2.500 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.38769E-02 ppm1 8.378 ppm2 4.298 CV 1 ASSI { 262} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.700 0.900 0.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.24056E-02 ppm1 8.377 ppm2 3.794 CV 1 ASSI { 263} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.700 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.23161E-02 ppm1 9.088 ppm2 3.718 CV 1 ASSI { 264} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) 2.400 0.700 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.50241E-02 ppm1 9.089 ppm2 2.016 CV 1 ASSI { 265} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.700 0.900 0.900 peak 265 spectrum 1 weight 0.10000E+01 volume 0.26682E-02 ppm1 8.654 ppm2 4.286 CV 1 ASSI { 266} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.26651E-02 ppm1 8.079 ppm2 4.466 CV 1 ASSI { 267} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB )) 2.700 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.23859E-02 ppm1 8.080 ppm2 1.795 CV 1 ASSI { 269} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.35574E-02 ppm1 7.609 ppm2 4.300 CV 1 ASSI { 270} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.500 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.38159E-02 ppm1 7.612 ppm2 1.957 CV 1 ASSI { 271} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB3 )) 2.700 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.23694E-02 ppm1 7.609 ppm2 1.630 CV 1 ASSI { 272} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD1%) 2.500 0.800 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.35714E-02 ppm1 7.610 ppm2 0.928 CV 1 OR { 272} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HG2%) OR { 272} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD2%) OR { 272} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HG13)) ASSI { 273} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.600 0.800 0.800 peak 273 spectrum 1 weight 0.10000E+01 volume 0.33553E-02 ppm1 8.394 ppm2 3.865 CV 1 ASSI { 274} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB )) 2.300 0.700 0.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.56248E-02 ppm1 8.394 ppm2 2.502 CV 1 ASSI { 275} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HG2%) 2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.45857E-02 ppm1 8.395 ppm2 1.279 CV 1 ASSI { 276} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 2.500 0.800 0.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.34447E-02 ppm1 7.667 ppm2 3.921 CV 1 ASSI { 277} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB3 )) 2.300 0.700 0.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.63435E-02 ppm1 7.667 ppm2 2.193 CV 1 OR { 277} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 278} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.700 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.24092E-02 ppm1 7.953 ppm2 3.865 CV 1 ASSI { 279} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.800 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.21098E-02 ppm1 7.706 ppm2 3.162 CV 1 ASSI { 280} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.400 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.54077E-02 ppm1 7.293 ppm2 3.851 CV 1 ASSI { 281} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 2.300 0.700 0.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.58575E-02 ppm1 7.293 ppm2 1.827 CV 1 ASSI { 283} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.24521E-02 ppm1 7.215 ppm2 3.466 CV 1 ASSI { 284} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB )) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.25984E-02 ppm1 7.215 ppm2 1.834 CV 1 ASSI { 285} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HD1%) 2.600 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.29184E-02 ppm1 7.217 ppm2 0.874 CV 1 OR { 285} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HG2%) OR { 285} (( segid " " and resid 36 and name HN )) ( segid " " and resid 52 and name HG2%) ASSI { 286} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 2.600 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.32705E-02 ppm1 7.740 ppm2 4.516 CV 1 ASSI { 287} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG3 )) 2.900 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.15975E-02 ppm1 7.742 ppm2 2.443 CV 1 ASSI { 288} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG2 )) 2.700 0.900 0.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.22861E-02 ppm1 7.742 ppm2 2.272 CV 1 ASSI { 289} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.500 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.38345E-02 ppm1 7.740 ppm2 1.898 CV 1 ASSI { 290} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.600 0.800 0.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.29980E-02 ppm1 8.176 ppm2 4.477 CV 1 ASSI { 291} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB3 )) 2.400 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.51239E-02 ppm1 8.176 ppm2 2.733 CV 1 OR { 291} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 292} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.24955E-02 ppm1 8.556 ppm2 3.786 CV 1 ASSI { 293} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.17950E-02 ppm1 8.808 ppm2 4.872 CV 1 ASSI { 294} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB3 )) 2.600 0.800 0.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.33832E-02 ppm1 8.810 ppm2 3.845 CV 1 ASSI { 295} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.500 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.35527E-02 ppm1 8.808 ppm2 4.066 CV 1 ASSI { 296} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 3.000 1.100 1.100 peak 296 spectrum 1 weight 0.10000E+01 volume 0.13323E-02 ppm1 8.313 ppm2 4.322 CV 1 ASSI { 297} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.12496E-02 ppm1 8.109 ppm2 5.429 CV 1 ASSI { 298} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.600 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.31624E-02 ppm1 8.110 ppm2 1.659 CV 1 OR { 298} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG2 )) ASSI { 300} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 7.943 ppm2 4.125 CV 1 ASSI { 301} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.700 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.26516E-02 ppm1 8.914 ppm2 3.949 CV 1 ASSI { 302} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB3 )) 2.400 2.400 3.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.44859E-02 ppm1 8.916 ppm2 2.077 CV 1 ASSI { 303} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.400 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.55111E-02 ppm1 8.914 ppm2 1.965 CV 1 ASSI { 304} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.700 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.23394E-02 ppm1 8.746 ppm2 5.403 CV 1 ASSI { 305} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) 2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.34964E-02 ppm1 8.743 ppm2 3.041 CV 1 ASSI { 306} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB3 )) 2.700 0.900 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.22629E-02 ppm1 8.743 ppm2 2.323 CV 1 ASSI { 307} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.900 1.000 1.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.17035E-02 ppm1 8.407 ppm2 4.535 CV 1 ASSI { 308} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.900 1.000 1.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.16544E-02 ppm1 8.408 ppm2 3.269 CV 1 ASSI { 309} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB3 )) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.25984E-02 ppm1 8.408 ppm2 2.704 CV 1 ASSI { 310} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.800 1.000 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 7.752 ppm2 3.787 CV 1 ASSI { 311} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB3 )) 2.300 0.700 0.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.62607E-02 ppm1 7.751 ppm2 1.878 CV 1 OR { 311} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB2 )) ASSI { 312} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 2.500 0.800 0.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.34447E-02 ppm1 7.866 ppm2 4.184 CV 1 ASSI { 313} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB2 )) 2.500 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.35900E-02 ppm1 7.866 ppm2 2.706 CV 1 ASSI { 314} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.21600E-02 ppm1 8.404 ppm2 3.466 CV 1 ASSI { 315} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 315 spectrum 1 weight 0.10000E+01 volume 0.11312E-02 ppm1 8.258 ppm2 5.576 CV 1 ASSI { 316} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.23425E-02 ppm1 7.588 ppm2 5.375 CV 1 ASSI { 319} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 2.900 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.16730E-02 ppm1 8.819 ppm2 3.422 CV 1 ASSI { 320} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB3 )) 2.700 0.900 0.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.26883E-02 ppm1 8.819 ppm2 3.026 CV 1 ASSI { 321} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 2.000 2.000 4.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.14698E-01 ppm1 8.749 ppm2 4.374 CV 1 ASSI { 322} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB3 )) 2.200 0.600 0.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.78376E-02 ppm1 8.750 ppm2 1.941 CV 1 ASSI { 323} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 2.500 0.800 0.800 peak 323 spectrum 1 weight 0.10000E+01 volume 0.34587E-02 ppm1 8.189 ppm2 4.358 CV 1 ASSI { 324} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG3 )) 2.700 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.24024E-02 ppm1 8.189 ppm2 2.268 CV 1 ASSI { 325} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB3 )) 2.300 0.700 0.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.60126E-02 ppm1 8.189 ppm2 1.971 CV 1 OR { 325} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) ASSI { 326} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.800 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.21331E-02 ppm1 8.395 ppm2 4.286 CV 1 ASSI { 327} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 2.500 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.42465E-02 ppm1 8.397 ppm2 1.657 CV 1 ASSI { 328} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.800 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.21564E-02 ppm1 7.003 ppm2 4.839 CV 1 ASSI { 329} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.800 2.800 3.200 peak 329 spectrum 1 weight 0.10000E+01 volume 0.21533E-02 ppm1 7.003 ppm2 3.334 CV 1 ASSI { 330} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB3 )) 2.700 0.900 0.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.25420E-02 ppm1 7.003 ppm2 2.528 CV 1 ASSI { 331} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 2.700 0.900 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.25353E-02 ppm1 7.561 ppm2 3.703 CV 1 ASSI { 332} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.900 1.000 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.16544E-02 ppm1 7.196 ppm2 3.011 CV 1 ASSI { 333} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.600 0.800 0.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.31299E-02 ppm1 8.264 ppm2 3.338 CV 1 ASSI { 335} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.24955E-02 ppm1 6.856 ppm2 3.304 CV 1 ASSI { 336} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB )) 2.600 0.900 0.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.27380E-02 ppm1 6.856 ppm2 1.942 CV 1 ASSI { 338} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.600 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.27711E-02 ppm1 8.188 ppm2 4.066 CV 1 ASSI { 339} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 2.900 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 9.483 ppm2 4.579 CV 1 ASSI { 340} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB2 )) 2.200 0.600 0.600 peak 340 spectrum 1 weight 0.10000E+01 volume 0.88147E-02 ppm1 9.483 ppm2 4.418 CV 1 ASSI { 341} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.600 0.900 0.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.29510E-02 ppm1 6.968 ppm2 4.433 CV 1 ASSI { 342} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB3 )) 2.500 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.36701E-02 ppm1 6.968 ppm2 1.795 CV 1 ASSI { 343} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.600 0.800 0.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.32658E-02 ppm1 8.589 ppm2 4.365 CV 1 ASSI { 344} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB )) 2.600 2.600 3.400 peak 344 spectrum 1 weight 0.10000E+01 volume 0.29887E-02 ppm1 8.589 ppm2 4.321 CV 1 ASSI { 345} (( segid " " and resid 123 and name HN )) ( segid " " and resid 123 and name HG2%) 2.400 0.700 0.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.46788E-02 ppm1 8.589 ppm2 1.220 CV 1 ASSI { 346} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) 2.500 0.800 0.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.41271E-02 ppm1 8.904 ppm2 4.478 CV 1 ASSI { 347} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HG2 )) 2.800 1.000 1.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.17671E-02 ppm1 8.909 ppm2 2.411 CV 1 ASSI { 348} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB3 )) 2.500 0.800 0.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.37032E-02 ppm1 8.909 ppm2 2.136 CV 1 ASSI { 349} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 2.700 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.26718E-02 ppm1 7.718 ppm2 4.653 CV 1 ASSI { 350} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.23228E-02 ppm1 7.718 ppm2 2.871 CV 1 ASSI { 351} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB3 )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.24857E-02 ppm1 7.718 ppm2 2.396 CV 1 ASSI { 352} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 2.500 0.800 0.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.34633E-02 ppm1 7.612 ppm2 4.154 CV 1 ASSI { 353} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.300 0.700 0.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.63176E-02 ppm1 7.612 ppm2 1.854 CV 1 ASSI { 354} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 2.400 0.700 0.700 peak 354 spectrum 1 weight 0.10000E+01 volume 0.44063E-02 ppm1 7.543 ppm2 4.082 CV 1 ASSI { 356} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB3 )) 3.100 1.200 1.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.10433E-02 ppm1 7.545 ppm2 2.310 CV 1 OR { 356} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG2 )) ASSI { 357} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB3 )) 2.200 0.600 0.600 peak 357 spectrum 1 weight 0.10000E+01 volume 0.78841E-02 ppm1 7.545 ppm2 2.129 CV 1 OR { 357} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) ASSI { 358} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.700 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.21998E-02 ppm1 8.060 ppm2 3.876 CV 1 ASSI { 359} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 2.800 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.18606E-02 ppm1 7.945 ppm2 3.613 CV 1 ASSI { 360} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HG2 )) 2.700 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.25451E-02 ppm1 7.305 ppm2 2.489 CV 1 OR { 360} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HG3 )) ASSI { 361} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) 2.300 0.700 0.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.59609E-02 ppm1 7.305 ppm2 2.249 CV 1 OR { 361} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB3 )) ASSI { 362} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.600 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.28512E-02 ppm1 7.305 ppm2 4.013 CV 1 ASSI { 363} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 2.600 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.31247E-02 ppm1 8.365 ppm2 3.733 CV 1 ASSI { 364} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 2.300 0.700 0.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.55628E-02 ppm1 8.369 ppm2 1.995 CV 1 ASSI { 365} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.700 0.900 0.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.23358E-02 ppm1 7.790 ppm2 4.307 CV 1 ASSI { 366} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 2.600 0.900 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.27282E-02 ppm1 7.790 ppm2 1.742 CV 1 ASSI { 367} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.700 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.23859E-02 ppm1 7.610 ppm2 3.756 CV 1 ASSI { 368} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.600 0.800 0.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.33832E-02 ppm1 8.131 ppm2 4.362 CV 1 ASSI { 369} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB3 )) 2.800 1.000 1.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.18446E-02 ppm1 8.132 ppm2 2.722 CV 1 ASSI { 370} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.900 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.16704E-02 ppm1 8.347 ppm2 3.788 CV 1 ASSI { 371} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 2.400 0.700 0.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.47253E-02 ppm1 9.012 ppm2 4.760 CV 1 ASSI { 372} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 3.200 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.91507E-03 ppm1 8.995 ppm2 4.790 CV 1 ASSI { 373} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 2.900 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.17319E-02 ppm1 7.090 ppm2 5.385 CV 1 ASSI { 374} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.300 1.400 1.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.71706E-03 ppm1 7.090 ppm2 3.083 CV 1 ASSI { 375} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 375 spectrum 1 weight 0.10000E+01 volume 0.79410E-03 ppm1 7.090 ppm2 2.692 CV 1 ASSI { 377} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.400 0.700 0.700 peak 377 spectrum 1 weight 0.10000E+01 volume 0.43598E-02 ppm1 9.834 ppm2 2.082 CV 1 ASSI { 378} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 2.700 0.900 0.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.24557E-02 ppm1 8.640 ppm2 4.184 CV 1 ASSI { 379} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HG3 )) 2.400 0.700 0.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.47982E-02 ppm1 8.640 ppm2 2.279 CV 1 OR { 379} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HG2 )) ASSI { 380} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) 2.500 2.500 3.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.35853E-02 ppm1 8.641 ppm2 2.063 CV 1 ASSI { 381} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.200 0.600 0.600 peak 381 spectrum 1 weight 0.10000E+01 volume 0.78169E-02 ppm1 8.640 ppm2 1.868 CV 1 ASSI { 382} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 2.500 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.42067E-02 ppm1 7.618 ppm2 3.974 CV 1 ASSI { 383} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB3 )) 2.200 0.600 0.600 peak 383 spectrum 1 weight 0.10000E+01 volume 0.84683E-02 ppm1 7.621 ppm2 1.823 CV 1 ASSI { 384} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG3 )) 2.400 0.700 0.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.54749E-02 ppm1 7.621 ppm2 1.444 CV 1 OR { 384} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG2 )) ASSI { 385} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.600 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.27876E-02 ppm1 7.871 ppm2 4.668 CV 1 ASSI { 386} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) 2.400 0.700 0.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.47382E-02 ppm1 7.872 ppm2 2.369 CV 1 ASSI { 387} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.500 0.800 0.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.38159E-02 ppm1 7.872 ppm2 1.593 CV 1 ASSI { 388} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.600 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.28946E-02 ppm1 7.315 ppm2 4.407 CV 1 ASSI { 389} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) 2.700 0.900 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.25022E-02 ppm1 7.315 ppm2 2.954 CV 1 ASSI { 390} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.500 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.36277E-02 ppm1 7.315 ppm2 2.430 CV 1 ASSI { 391} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 2.500 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.38862E-02 ppm1 7.376 ppm2 3.884 CV 1 ASSI { 392} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB3 )) 2.200 0.600 0.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.72637E-02 ppm1 7.376 ppm2 1.560 CV 1 ASSI { 394} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HD1%) 3.100 1.200 1.200 peak 394 spectrum 1 weight 0.10000E+01 volume 0.10665E-02 ppm1 7.377 ppm2 0.797 CV 1 ASSI { 395} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.600 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.31014E-02 ppm1 7.831 ppm2 3.864 CV 1 ASSI { 396} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.200 0.600 0.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.73878E-02 ppm1 7.832 ppm2 1.906 CV 1 ASSI { 397} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HG3 )) 2.900 1.100 1.100 peak 397 spectrum 1 weight 0.10000E+01 volume 0.14734E-02 ppm1 7.831 ppm2 1.661 CV 1 ASSI { 398} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 2.700 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.23094E-02 ppm1 8.727 ppm2 4.000 CV 1 ASSI { 399} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB3 )) 2.400 0.700 0.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.44590E-02 ppm1 8.727 ppm2 2.455 CV 1 ASSI { 400} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 2.600 0.800 0.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.32705E-02 ppm1 8.142 ppm2 3.670 CV 1 ASSI { 401} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG2 )) 2.500 0.800 0.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.39565E-02 ppm1 8.142 ppm2 2.323 CV 1 OR { 401} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG3 )) ASSI { 402} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA )) 3.200 1.300 1.300 peak 402 spectrum 1 weight 0.10000E+01 volume 0.89026E-03 ppm1 8.835 ppm2 5.275 CV 1 ASSI { 403} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.100 1.200 1.200 peak 403 spectrum 1 weight 0.10000E+01 volume 0.95746E-03 ppm1 9.900 ppm2 5.094 CV 1 ASSI { 404} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 3.000 1.100 1.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.13923E-02 ppm1 7.698 ppm2 4.625 CV 1 ASSI { 405} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.600 0.800 0.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.30544E-02 ppm1 8.406 ppm2 4.131 CV 1 ASSI { 406} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB3 )) 2.500 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.41338E-02 ppm1 8.406 ppm2 3.840 CV 1 ASSI { 407} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.600 0.900 0.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.29603E-02 ppm1 7.974 ppm2 4.668 CV 1 ASSI { 408} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB3 )) 2.900 1.100 1.100 peak 408 spectrum 1 weight 0.10000E+01 volume 0.14419E-02 ppm1 7.974 ppm2 3.085 CV 1 ASSI { 409} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.20137E-02 ppm1 7.974 ppm2 2.736 CV 1 ASSI { 410} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.700 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.21863E-02 ppm1 8.308 ppm2 4.874 CV 1 ASSI { 411} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB3 )) 2.600 0.800 0.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.32095E-02 ppm1 8.307 ppm2 2.925 CV 1 ASSI { 412} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.500 2.500 3.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.41737E-02 ppm1 8.307 ppm2 1.952 CV 1 ASSI { 413} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 2.600 0.800 0.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.32002E-02 ppm1 8.319 ppm2 3.704 CV 1 ASSI { 414} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB )) 2.400 0.700 0.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.43530E-02 ppm1 8.318 ppm2 1.655 CV 1 ASSI { 415} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HG2%) 2.400 2.400 3.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.44394E-02 ppm1 8.317 ppm2 0.863 CV 1 ASSI { 416} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.700 0.900 0.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.25849E-02 ppm1 7.265 ppm2 4.043 CV 1 ASSI { 417} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HG3 )) 3.200 1.300 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.93265E-03 ppm1 7.266 ppm2 2.359 CV 1 OR { 417} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HG2 )) ASSI { 418} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB3 )) 2.300 0.700 0.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.61160E-02 ppm1 7.266 ppm2 2.126 CV 1 OR { 418} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) ASSI { 419} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 2.600 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.28874E-02 ppm1 7.468 ppm2 4.392 CV 1 ASSI { 420} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) 2.300 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.68036E-02 ppm1 7.468 ppm2 2.754 CV 1 ASSI { 421} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.800 1.000 1.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.19501E-02 ppm1 8.449 ppm2 3.617 CV 1 ASSI { 422} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 2.400 0.700 0.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.47315E-02 ppm1 8.191 ppm2 4.180 CV 1 ASSI { 423} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.500 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.38955E-02 ppm1 8.221 ppm2 4.174 CV 1 ASSI { 424} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB3 )) 2.500 0.800 0.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.37032E-02 ppm1 8.223 ppm2 2.844 CV 1 ASSI { 426} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 3.400 1.400 1.400 peak 426 spectrum 1 weight 0.10000E+01 volume 0.63124E-03 ppm1 7.966 ppm2 4.116 CV 1 ASSI { 427} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA )) 2.500 0.800 0.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.36417E-02 ppm1 8.328 ppm2 4.712 CV 1 ASSI { 428} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB2 )) 3.300 1.400 1.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.68966E-03 ppm1 8.329 ppm2 2.736 CV 1 ASSI { 429} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.700 0.900 0.900 peak 429 spectrum 1 weight 0.10000E+01 volume 0.23358E-02 ppm1 7.105 ppm2 4.145 CV 1 ASSI { 430} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB )) 2.600 0.900 0.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.27447E-02 ppm1 7.106 ppm2 1.961 CV 1 ASSI { 431} (( segid " " and resid 152 and name HN )) ( segid " " and resid 152 and name HG1%) 2.400 0.700 0.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.43396E-02 ppm1 7.105 ppm2 0.879 CV 1 ASSI { 433} (( segid " " and resid 150 and name HN )) ( segid " " and resid 150 and name HE% ) 2.800 1.000 1.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.18679E-02 ppm1 8.787 ppm2 1.940 CV 1 ASSI { 434} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 2.600 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.27013E-02 ppm1 8.618 ppm2 3.928 CV 1 ASSI { 435} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB3 )) 2.300 0.700 0.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.65141E-02 ppm1 8.619 ppm2 3.054 CV 1 OR { 435} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB2 )) ASSI { 437} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 3.400 1.400 1.400 peak 437 spectrum 1 weight 0.10000E+01 volume 0.60074E-03 ppm1 8.339 ppm2 4.216 CV 1 ASSI { 438} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG2 )) 4.500 2.600 1.500 peak 438 spectrum 1 weight 0.10000E+01 volume 0.10852E-03 ppm1 7.972 ppm2 2.202 CV 1 OR { 438} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG3 )) ASSI { 440} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 2.400 2.400 3.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.51172E-02 ppm1 7.682 ppm2 4.331 CV 1 OR { 440} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB )) ASSI { 441} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.400 0.700 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.46850E-02 ppm1 7.684 ppm2 4.407 CV 1 OR { 441} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) ASSI { 442} (( segid " " and resid 154 and name HN )) ( segid " " and resid 154 and name HG2%) 2.600 0.800 0.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.31200E-02 ppm1 7.682 ppm2 1.141 CV 1 ASSI { 443} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB )) 2.300 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.67105E-02 ppm1 8.449 ppm2 2.236 CV 1 ASSI { 445} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 2.400 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.55111E-02 ppm1 8.071 ppm2 4.092 CV 1 ASSI { 446} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB2 )) 2.200 0.600 0.600 peak 446 spectrum 1 weight 0.10000E+01 volume 0.94506E-02 ppm1 8.070 ppm2 2.216 CV 1 OR { 446} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB3 )) ASSI { 448} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.500 0.800 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.35621E-02 ppm1 7.941 ppm2 4.374 CV 1 ASSI { 449} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.500 0.800 0.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.40884E-02 ppm1 7.941 ppm2 3.004 CV 1 ASSI { 450} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.51502E-02 ppm1 8.412 ppm2 4.114 CV 1 ASSI { 451} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.200 0.600 0.600 peak 451 spectrum 1 weight 0.10000E+01 volume 0.73051E-02 ppm1 8.412 ppm2 1.966 CV 1 ASSI { 453} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HG3 )) 2.600 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.27183E-02 ppm1 8.413 ppm2 2.322 CV 1 ASSI { 454} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 2.600 0.900 0.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.27545E-02 ppm1 8.959 ppm2 4.071 CV 1 ASSI { 455} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB2 )) 2.400 0.700 0.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.48313E-02 ppm1 8.959 ppm2 3.884 CV 1 OR { 455} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB3 )) ASSI { 456} (( segid " " and resid 124 and name HN )) ( segid " " and resid 124 and name HD1%) 2.800 1.000 1.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.20442E-02 ppm1 6.968 ppm2 0.813 CV 1 ASSI { 457} (( segid " " and resid 124 and name HN )) ( segid " " and resid 124 and name HD2%) 2.800 1.000 1.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.20866E-02 ppm1 6.968 ppm2 0.928 CV 1 ASSI { 460} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.200 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.83494E-02 ppm1 8.060 ppm2 1.909 CV 1 ASSI { 461} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB3 )) 2.800 1.000 1.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.18606E-02 ppm1 8.060 ppm2 1.231 CV 1 ASSI { 462} (( segid " " and resid 117 and name HN )) ( segid " " and resid 116 and name HG2%) 2.400 0.700 0.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.47915E-02 ppm1 8.060 ppm2 0.776 CV 1 OR { 462} (( segid " " and resid 117 and name HN )) ( segid " " and resid 117 and name HD2%) OR { 462} (( segid " " and resid 117 and name HN )) ( segid " " and resid 117 and name HD1%) ASSI { 463} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB )) 2.500 0.800 0.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.37078E-02 ppm1 7.944 ppm2 1.926 CV 1 ASSI { 465} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HG2 )) 2.900 1.000 1.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 8.367 ppm2 1.779 CV 1 ASSI { 466} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HD2 )) 3.300 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.72172E-03 ppm1 8.365 ppm2 3.230 CV 1 OR { 466} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HD3 )) ASSI { 467} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HG2%) 2.600 0.900 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.28543E-02 ppm1 8.347 ppm2 1.044 CV 1 ASSI { 468} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.900 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.17035E-02 ppm1 9.012 ppm2 4.590 CV 1 ASSI { 469} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.600 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.27080E-02 ppm1 9.012 ppm2 4.136 CV 1 ASSI { 471} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 2.400 0.700 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.51751E-02 ppm1 8.428 ppm2 4.110 CV 1 ASSI { 472} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HG2 )) 2.500 0.800 0.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.34070E-02 ppm1 8.428 ppm2 2.478 CV 1 OR { 472} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HG3 )) ASSI { 473} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB3 )) 2.200 0.600 0.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.93161E-02 ppm1 8.427 ppm2 2.183 CV 1 ASSI { 474} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 2.500 0.800 0.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.42067E-02 ppm1 8.222 ppm2 4.114 CV 1 ASSI { 475} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HG2 )) 2.900 1.000 1.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 8.223 ppm2 2.567 CV 1 ASSI { 476} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB3 )) 2.200 0.600 0.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.75119E-02 ppm1 8.223 ppm2 2.233 CV 1 ASSI { 477} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 2.500 0.800 0.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 8.353 ppm2 4.182 CV 1 ASSI { 478} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HG2 )) 2.600 0.900 0.900 peak 478 spectrum 1 weight 0.10000E+01 volume 0.27912E-02 ppm1 8.354 ppm2 2.312 CV 1 OR { 478} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HG3 )) ASSI { 479} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB2 )) 2.200 0.600 0.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.85355E-02 ppm1 8.353 ppm2 2.068 CV 1 ASSI { 481} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB3 )) 2.600 0.900 0.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.29086E-02 ppm1 8.397 ppm2 1.482 CV 1 ASSI { 482} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HD2%) 2.900 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.15411E-02 ppm1 8.399 ppm2 0.921 CV 1 ASSI { 483} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HD1%) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.26082E-02 ppm1 8.396 ppm2 0.732 CV 1 ASSI { 484} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HG2%) 2.900 1.000 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.16657E-02 ppm1 7.196 ppm2 0.711 CV 1 ASSI { 486} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.18374E-02 ppm1 8.141 ppm2 3.783 CV 1 ASSI { 487} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB3 )) 2.500 0.800 0.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.34540E-02 ppm1 8.143 ppm2 3.052 CV 1 ASSI { 488} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.600 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.29086E-02 ppm1 8.143 ppm2 2.875 CV 1 ASSI { 489} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 2.500 0.800 0.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.35243E-02 ppm1 8.135 ppm2 4.028 CV 1 ASSI { 490} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB3 )) 2.300 0.700 0.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.62401E-02 ppm1 8.141 ppm2 2.719 CV 1 ASSI { 491} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.000 1.200 1.200 peak 491 spectrum 1 weight 0.10000E+01 volume 0.11694E-02 ppm1 8.259 ppm2 3.424 CV 1 ASSI { 492} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB3 )) 3.000 1.100 1.100 peak 492 spectrum 1 weight 0.10000E+01 volume 0.13509E-02 ppm1 8.257 ppm2 2.802 CV 1 ASSI { 493} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.800 1.000 1.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.19925E-02 ppm1 8.754 ppm2 4.864 CV 1 ASSI { 494} (( segid " " and resid 67 and name HN )) ( segid " " and resid 67 and name HG2%) 2.800 1.000 1.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.19547E-02 ppm1 8.754 ppm2 1.000 CV 1 ASSI { 495} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB )) 3.300 1.300 1.300 peak 495 spectrum 1 weight 0.10000E+01 volume 0.77910E-03 ppm1 8.754 ppm2 1.970 CV 1 ASSI { 496} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 2.400 0.700 0.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.47718E-02 ppm1 10.377 ppm2 3.026 CV 1 ASSI { 497} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 2.700 0.900 0.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.22329E-02 ppm1 10.377 ppm2 4.547 CV 1 ASSI { 498} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.500 0.800 0.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.38014E-02 ppm1 7.614 ppm2 4.158 CV 1 ASSI { 499} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB3 )) 2.200 2.200 3.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.92386E-02 ppm1 7.615 ppm2 2.343 CV 1 ASSI { 500} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HG3 )) 2.600 0.800 0.800 peak 500 spectrum 1 weight 0.10000E+01 volume 0.33692E-02 ppm1 7.616 ppm2 2.589 CV 1 ASSI { 501} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.500 0.800 0.800 peak 501 spectrum 1 weight 0.10000E+01 volume 0.36417E-02 ppm1 8.253 ppm2 3.898 CV 1 ASSI { 502} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HB% ) 2.300 0.600 0.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.68708E-02 ppm1 8.253 ppm2 1.231 CV 1 ASSI { 503} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB )) 2.500 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.43065E-02 ppm1 7.746 ppm2 4.331 CV 1 ASSI { 504} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB3 )) 3.300 1.400 1.400 peak 504 spectrum 1 weight 0.10000E+01 volume 0.66433E-03 ppm1 8.340 ppm2 3.928 CV 1 ASSI { 505} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.51906E-02 ppm1 8.029 ppm2 3.954 CV 1 ASSI { 506} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB3 )) 2.300 0.700 0.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.59195E-02 ppm1 8.029 ppm2 1.979 CV 1 ASSI { 507} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.300 2.300 3.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.68708E-02 ppm1 8.029 ppm2 1.894 CV 1 ASSI { 508} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.24588E-02 ppm1 7.953 ppm2 1.757 CV 1 ASSI { 509} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB3 )) 2.700 0.900 0.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.25555E-02 ppm1 7.953 ppm2 1.418 CV 1 ASSI { 511} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HG2%) 2.900 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.15670E-02 ppm1 7.706 ppm2 0.669 CV 1 ASSI { 512} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG13)) 2.500 0.800 0.800 peak 512 spectrum 1 weight 0.10000E+01 volume 0.41602E-02 ppm1 7.707 ppm2 1.015 CV 1 ASSI { 513} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB )) 2.500 0.800 0.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.36794E-02 ppm1 7.708 ppm2 1.375 CV 1 ASSI { 514} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB )) 2.800 1.000 1.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.20969E-02 ppm1 8.314 ppm2 1.504 CV 1 ASSI { 518} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.500 2.500 3.500 peak 518 spectrum 1 weight 0.10000E+01 volume 0.35057E-02 ppm1 8.176 ppm2 2.356 CV 1 ASSI { 521} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HG1%) 2.600 2.600 3.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.29603E-02 ppm1 8.434 ppm2 1.053 CV 1 ASSI { 522} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB )) 2.300 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.70207E-02 ppm1 8.434 ppm2 2.183 CV 1 OR { 522} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB )) ASSI { 523} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.700 0.900 0.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.25787E-02 ppm1 8.435 ppm2 3.530 CV 1 ASSI { 527} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 2.400 0.700 0.700 peak 527 spectrum 1 weight 0.10000E+01 volume 0.45392E-02 ppm1 7.787 ppm2 4.287 CV 1 ASSI { 529} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HD2 )) 2.800 1.000 1.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.18560E-02 ppm1 7.787 ppm2 1.678 CV 1 OR { 529} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HD3 )) ASSI { 531} (( segid " " and resid 17 and name HN )) ( segid " " and resid 17 and name HG2%) 2.900 1.100 1.100 peak 531 spectrum 1 weight 0.10000E+01 volume 0.15013E-02 ppm1 8.376 ppm2 1.285 CV 1 ASSI { 532} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.200 0.600 0.600 peak 532 spectrum 1 weight 0.10000E+01 volume 0.72068E-02 ppm1 7.740 ppm2 4.356 CV 1 ASSI { 533} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HB% ) 2.200 0.600 0.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.72275E-02 ppm1 7.739 ppm2 1.585 CV 1 ASSI { 534} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 2.600 0.800 0.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.29841E-02 ppm1 7.593 ppm2 4.380 CV 1 ASSI { 535} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB3 )) 2.200 0.600 0.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.79048E-02 ppm1 7.595 ppm2 2.329 CV 1 ASSI { 537} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.300 0.700 0.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.56972E-02 ppm1 7.304 ppm2 1.889 CV 1 ASSI { 539} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.500 0.800 0.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.40646E-02 ppm1 7.943 ppm2 3.943 CV 1 ASSI { 540} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB3 )) 2.500 0.800 0.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.41070E-02 ppm1 7.943 ppm2 3.774 CV 1 ASSI { 541} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HG1%) 2.700 2.700 3.300 peak 541 spectrum 1 weight 0.10000E+01 volume 0.26284E-02 ppm1 8.394 ppm2 1.138 CV 1 ASSI { 542} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB )) 2.300 0.700 0.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.57489E-02 ppm1 7.611 ppm2 2.117 CV 1 ASSI { 543} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HG1%) 2.500 0.800 0.800 peak 543 spectrum 1 weight 0.10000E+01 volume 0.36468E-02 ppm1 7.609 ppm2 1.107 CV 1 ASSI { 544} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HG2%) 2.800 1.000 1.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.19739E-02 ppm1 7.609 ppm2 0.883 CV 1 ASSI { 545} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD1%) 2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.20767E-02 ppm1 7.952 ppm2 0.658 CV 1 ASSI { 546} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG3 )) 2.900 1.000 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 7.667 ppm2 2.427 CV 1 OR { 546} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG2 )) ASSI { 547} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.200 0.600 0.600 peak 547 spectrum 1 weight 0.10000E+01 volume 0.92386E-02 ppm1 7.615 ppm2 2.299 CV 1 ASSI { 549} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB3 )) 2.600 0.800 0.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.31485E-02 ppm1 7.866 ppm2 2.581 CV 1 ASSI { 552} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB3 )) 2.800 1.000 1.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.18539E-02 ppm1 8.329 ppm2 2.553 CV 1 ASSI { 553} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB3 )) 2.500 0.800 0.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.37358E-02 ppm1 7.593 ppm2 1.530 CV 1 ASSI { 554} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 2.400 0.700 0.700 peak 554 spectrum 1 weight 0.10000E+01 volume 0.54646E-02 ppm1 7.593 ppm2 1.872 CV 1 ASSI { 555} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.300 1.300 1.300 peak 555 spectrum 1 weight 0.10000E+01 volume 0.78944E-03 ppm1 8.835 ppm2 3.329 CV 1 ASSI { 556} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB3 )) 3.000 1.200 1.200 peak 556 spectrum 1 weight 0.10000E+01 volume 0.11860E-02 ppm1 8.836 ppm2 2.733 CV 1 ASSI { 557} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 2.400 0.700 0.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.49977E-02 ppm1 8.139 ppm2 2.605 CV 1 ASSI { 558} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 2.700 0.900 0.900 peak 558 spectrum 1 weight 0.10000E+01 volume 0.24722E-02 ppm1 8.496 ppm2 3.528 CV 1 ASSI { 562} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG3 )) 2.600 2.600 3.400 peak 562 spectrum 1 weight 0.10000E+01 volume 0.30265E-02 ppm1 8.750 ppm2 2.260 CV 1 OR { 562} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG2 )) ASSI { 563} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HG2%) 2.600 0.900 0.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.29654E-02 ppm1 9.901 ppm2 0.657 CV 1 ASSI { 564} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HG1%) 3.200 1.300 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.84579E-03 ppm1 9.901 ppm2 1.248 CV 1 ASSI { 565} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB )) 2.700 0.900 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.24392E-02 ppm1 9.902 ppm2 2.174 CV 1 ASSI { 567} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB )) 3.100 1.200 1.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.10298E-02 ppm1 7.698 ppm2 3.798 CV 1 ASSI { 568} (( segid " " and resid 143 and name HN )) ( segid " " and resid 143 and name HG2%) 2.900 1.100 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.15670E-02 ppm1 7.700 ppm2 0.647 CV 1 ASSI { 571} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG3 )) 2.400 2.400 3.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.44658E-02 ppm1 8.265 ppm2 0.754 CV 1 OR { 571} (( segid " " and resid 73 and name HN )) ( segid " " and resid 67 and name HD1%) OR { 571} (( segid " " and resid 73 and name HN )) ( segid " " and resid 15 and name HD1%) ASSI { 572} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG12)) 2.800 1.000 1.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.19030E-02 ppm1 7.706 ppm2 -0.420 CV 1 ASSI { 573} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD1%) 2.900 1.100 1.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.15365E-02 ppm1 7.706 ppm2 0.162 CV 1 ASSI { 574} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HG13)) 2.600 0.900 0.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.27680E-02 ppm1 7.944 ppm2 1.585 CV 1 ASSI { 575} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HG2%) 2.800 1.000 1.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.19010E-02 ppm1 7.944 ppm2 0.771 CV 1 ASSI { 576} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HG12)) 2.700 0.900 0.900 peak 576 spectrum 1 weight 0.10000E+01 volume 0.21931E-02 ppm1 7.944 ppm2 0.602 CV 1 ASSI { 577} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HD1%) 3.000 1.100 1.100 peak 577 spectrum 1 weight 0.10000E+01 volume 0.13576E-02 ppm1 7.944 ppm2 0.223 CV 1 ASSI { 578} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB )) 2.600 0.800 0.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.31717E-02 ppm1 7.196 ppm2 1.538 CV 1 ASSI { 579} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG13)) 2.400 0.700 0.700 peak 579 spectrum 1 weight 0.10000E+01 volume 0.44859E-02 ppm1 7.197 ppm2 0.988 CV 1 ASSI { 580} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG12)) 2.500 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.35290E-02 ppm1 7.196 ppm2 0.394 CV 1 OR { 580} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD1%) ASSI { 582} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG12)) 2.500 0.800 0.800 peak 582 spectrum 1 weight 0.10000E+01 volume 0.36561E-02 ppm1 7.215 ppm2 1.717 CV 1 ASSI { 583} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG13)) 2.800 1.000 1.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.17903E-02 ppm1 7.217 ppm2 1.089 CV 1 ASSI { 584} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB )) 2.200 0.600 0.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.85355E-02 ppm1 8.404 ppm2 1.962 CV 1 ASSI { 585} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG13)) 2.600 0.800 0.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.30027E-02 ppm1 7.293 ppm2 1.548 CV 1 ASSI { 586} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG12)) 2.700 0.900 0.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.22561E-02 ppm1 7.293 ppm2 1.256 CV 1 ASSI { 587} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG12)) 2.600 0.800 0.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.31909E-02 ppm1 8.079 ppm2 1.553 CV 1 ASSI { 589} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB )) 3.300 1.300 1.300 peak 589 spectrum 1 weight 0.10000E+01 volume 0.77652E-03 ppm1 8.995 ppm2 1.821 CV 1 ASSI { 590} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HG13)) 2.900 1.100 1.100 peak 590 spectrum 1 weight 0.10000E+01 volume 0.14569E-02 ppm1 8.995 ppm2 1.404 CV 1 ASSI { 591} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HG12)) 2.800 1.000 1.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.18188E-02 ppm1 8.995 ppm2 1.103 CV 1 ASSI { 592} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HD1%) 3.000 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.11979E-02 ppm1 8.996 ppm2 0.650 CV 1 ASSI { 593} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HG2%) 3.100 1.200 1.200 peak 593 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 8.995 ppm2 0.464 CV 1 ASSI { 594} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG )) 2.500 2.500 3.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.36138E-02 ppm1 7.954 ppm2 1.960 CV 1 ASSI { 596} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB3 )) 2.800 1.000 1.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.20969E-02 ppm1 7.295 ppm2 1.359 CV 1 ASSI { 598} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HD1%) 3.000 1.100 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.12842E-02 ppm1 7.295 ppm2 0.740 CV 1 ASSI { 599} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG3 )) 3.100 1.200 1.200 peak 599 spectrum 1 weight 0.10000E+01 volume 0.10996E-02 ppm1 8.109 ppm2 1.469 CV 1 ASSI { 601} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HD2 )) 3.500 1.500 1.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.51854E-03 ppm1 8.109 ppm2 3.126 CV 1 OR { 601} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HD3 )) ASSI { 604} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 3.100 1.200 1.200 peak 604 spectrum 1 weight 0.10000E+01 volume 0.99986E-03 ppm1 8.461 ppm2 3.648 CV 1 ASSI { 606} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.800 1.000 1.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.18069E-02 ppm1 8.461 ppm2 3.011 CV 1 OR { 606} (( segid " " and resid 146 and name HN )) (( segid " " and resid 149 and name HB3 )) ASSI { 607} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 2.500 0.800 0.800 peak 607 spectrum 1 weight 0.10000E+01 volume 0.41400E-02 ppm1 8.485 ppm2 3.325 CV 1 ASSI { 608} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB2 )) 2.500 2.500 3.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.39803E-02 ppm1 8.485 ppm2 2.653 CV 1 ASSI { 609} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB3 )) 2.500 0.800 0.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.38816E-02 ppm1 8.485 ppm2 2.492 CV 1 ASSI { 610} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.600 0.900 0.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.29654E-02 ppm1 8.413 ppm2 3.513 CV 1 ASSI { 611} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.300 0.700 0.700 peak 611 spectrum 1 weight 0.10000E+01 volume 0.59609E-02 ppm1 8.413 ppm2 3.005 CV 1 ASSI { 613} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HD3 )) 2.300 0.700 0.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.64003E-02 ppm1 7.623 ppm2 1.751 CV 1 OR { 613} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HD2 )) ASSI { 614} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HE3 )) 3.900 1.900 1.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.25958E-03 ppm1 7.620 ppm2 3.006 CV 1 OR { 614} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HE2 )) ASSI { 615} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HE2 )) 3.900 1.900 1.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.28491E-03 ppm1 7.781 ppm2 2.989 CV 1 OR { 615} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HE3 )) ASSI { 616} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB3 )) 2.200 2.200 3.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.75377E-02 ppm1 7.781 ppm2 2.009 CV 1 ASSI { 617} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HD2 )) 2.600 0.800 0.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.29934E-02 ppm1 7.781 ppm2 1.719 CV 1 OR { 617} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HD3 )) ASSI { 618} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HG3 )) 2.800 2.800 3.200 peak 618 spectrum 1 weight 0.10000E+01 volume 0.18632E-02 ppm1 7.781 ppm2 1.515 CV 1 ASSI { 619} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.400 0.700 0.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.44125E-02 ppm1 7.782 ppm2 4.243 CV 1 ASSI { 620} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HE2 )) 3.700 1.800 1.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.33604E-03 ppm1 7.787 ppm2 2.949 CV 1 OR { 620} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HE3 )) ASSI { 621} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 3.300 1.400 1.400 peak 621 spectrum 1 weight 0.10000E+01 volume 0.68191E-03 ppm1 9.142 ppm2 4.181 CV 1 ASSI { 622} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.100 1.200 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.11431E-02 ppm1 9.139 ppm2 3.971 CV 1 OR { 622} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB3 )) ASSI { 623} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG13)) 2.500 0.800 0.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.34209E-02 ppm1 8.449 ppm2 1.710 CV 1 ASSI { 624} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG12)) 2.800 1.000 1.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.17810E-02 ppm1 8.449 ppm2 1.398 CV 1 ASSI { 625} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HG2%) 2.700 2.700 3.300 peak 625 spectrum 1 weight 0.10000E+01 volume 0.22396E-02 ppm1 8.449 ppm2 0.856 CV 1 ASSI { 626} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HD1%) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.10583E-02 ppm1 8.449 ppm2 0.620 CV 1 ASSI { 627} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.900 1.100 1.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.15556E-02 ppm1 8.264 ppm2 3.508 CV 1 ASSI { 628} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB )) 2.400 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.44125E-02 ppm1 8.264 ppm2 1.962 CV 1 ASSI { 629} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG12)) 2.700 0.900 0.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.25384E-02 ppm1 8.264 ppm2 1.463 CV 1 ASSI { 631} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HG2%) 2.700 2.700 3.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.22660E-02 ppm1 8.264 ppm2 0.890 CV 1 ASSI { 632} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD1%) 2.700 0.900 0.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.23523E-02 ppm1 8.264 ppm2 0.708 CV 1 ASSI { 633} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG13)) 2.800 1.000 1.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.19594E-02 ppm1 8.754 ppm2 1.641 CV 1 ASSI { 634} (( segid " " and resid 67 and name HN )) ( segid " " and resid 67 and name HD1%) 3.400 1.400 1.400 peak 634 spectrum 1 weight 0.10000E+01 volume 0.64779E-03 ppm1 8.754 ppm2 0.767 CV 1 ASSI { 635} (( segid " " and resid 67 and name HN )) ( segid " " and resid 33 and name HG2%) 3.300 1.300 1.300 peak 635 spectrum 1 weight 0.10000E+01 volume 0.74860E-03 ppm1 8.755 ppm2 1.186 CV 1 ASSI { 636} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HG13)) 2.500 0.800 0.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.38345E-02 ppm1 8.317 ppm2 1.908 CV 1 ASSI { 639} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HG )) 2.800 1.000 1.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.21202E-02 ppm1 7.613 ppm2 1.487 CV 1 ASSI { 640} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HD1%) 2.700 0.900 0.900 peak 640 spectrum 1 weight 0.10000E+01 volume 0.22592E-02 ppm1 7.614 ppm2 0.821 CV 1 ASSI { 641} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HG3 )) 2.400 0.700 0.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.43329E-02 ppm1 8.191 ppm2 2.808 CV 1 ASSI { 642} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HG2 )) 2.800 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.21031E-02 ppm1 8.191 ppm2 2.478 CV 1 ASSI { 643} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB3 )) 2.400 2.400 3.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.48711E-02 ppm1 8.191 ppm2 2.148 CV 1 ASSI { 644} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.200 0.600 0.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.80237E-02 ppm1 8.191 ppm2 2.010 CV 1 ASSI { 645} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HG3 )) 2.700 0.900 0.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.24790E-02 ppm1 8.070 ppm2 2.457 CV 1 OR { 645} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HG2 )) ASSI { 647} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.600 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.32943E-02 ppm1 8.003 ppm2 4.098 CV 1 ASSI { 648} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG3 )) 2.700 0.900 0.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.23259E-02 ppm1 8.004 ppm2 2.377 CV 1 ASSI { 649} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB3 )) 2.400 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.45056E-02 ppm1 8.003 ppm2 2.104 CV 1 ASSI { 650} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) 2.500 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.35197E-02 ppm1 8.697 ppm2 2.966 CV 1 ASSI { 651} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB3 )) 2.500 0.800 0.800 peak 651 spectrum 1 weight 0.10000E+01 volume 0.36370E-02 ppm1 8.697 ppm2 2.865 CV 1 ASSI { 652} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 2.600 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.30358E-02 ppm1 8.318 ppm2 4.469 CV 1 ASSI { 653} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.600 0.800 0.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.32002E-02 ppm1 8.318 ppm2 3.980 CV 1 ASSI { 654} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB3 )) 2.200 0.600 0.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.79513E-02 ppm1 8.318 ppm2 2.193 CV 1 ASSI { 655} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 2.500 2.500 3.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.34633E-02 ppm1 8.319 ppm2 1.733 CV 1 ASSI { 656} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HG )) 2.400 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.48912E-02 ppm1 8.318 ppm2 1.984 CV 1 OR { 656} (( segid " " and resid 93 and name HN )) ( segid " " and resid 150 and name HE% ) ASSI { 659} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB3 )) 2.400 0.700 0.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.44259E-02 ppm1 8.318 ppm2 2.106 CV 1 ASSI { 660} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HG )) 2.500 2.500 3.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.42331E-02 ppm1 8.318 ppm2 1.646 CV 1 ASSI { 661} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 2.700 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.26651E-02 ppm1 8.318 ppm2 1.223 CV 1 ASSI { 663} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HD2%) 2.500 0.800 0.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.43132E-02 ppm1 8.318 ppm2 0.871 CV 1 ASSI { 664} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG2 )) 3.300 1.400 1.400 peak 664 spectrum 1 weight 0.10000E+01 volume 0.74033E-03 ppm1 7.792 ppm2 2.742 CV 1 ASSI { 665} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB3 )) 2.700 0.900 0.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.22494E-02 ppm1 7.790 ppm2 2.364 CV 1 ASSI { 666} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG3 )) 2.600 2.600 3.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.29603E-02 ppm1 7.790 ppm2 2.317 CV 1 ASSI { 667} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) 2.600 0.900 0.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.27349E-02 ppm1 8.788 ppm2 3.040 CV 1 OR { 667} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HG2 )) ASSI { 668} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HG2 )) 2.500 0.800 0.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.38159E-02 ppm1 8.727 ppm2 2.949 CV 1 ASSI { 669} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.500 2.500 3.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.34400E-02 ppm1 8.727 ppm2 2.068 CV 1 ASSI { 670} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.400 2.400 3.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.47847E-02 ppm1 8.142 ppm2 2.187 CV 1 ASSI { 671} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB3 )) 2.400 0.700 0.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.47718E-02 ppm1 8.142 ppm2 2.030 CV 1 ASSI { 672} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB3 )) 2.400 0.700 0.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.55163E-02 ppm1 7.303 ppm2 1.983 CV 1 ASSI { 673} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG2 )) 2.900 2.900 3.100 peak 673 spectrum 1 weight 0.10000E+01 volume 0.16306E-02 ppm1 8.916 ppm2 2.496 CV 1 ASSI { 674} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HD3 )) 2.900 1.000 1.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.16802E-02 ppm1 7.561 ppm2 3.006 CV 1 ASSI { 675} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HD2 )) 3.300 1.300 1.300 peak 675 spectrum 1 weight 0.10000E+01 volume 0.76463E-03 ppm1 7.561 ppm2 2.520 CV 1 ASSI { 677} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB3 )) 2.500 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.39286E-02 ppm1 7.561 ppm2 1.433 CV 1 ASSI { 679} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG2 )) 2.500 0.800 0.800 peak 679 spectrum 1 weight 0.10000E+01 volume 0.35951E-02 ppm1 7.562 ppm2 1.012 CV 1 OR { 679} (( segid " " and resid 22 and name HN )) (( segid " " and resid 39 and name HG13)) ASSI { 681} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HG3 )) 3.100 3.100 2.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.10402E-02 ppm1 8.367 ppm2 1.536 CV 1 ASSI { 682} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.300 0.700 0.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.65813E-02 ppm1 7.995 ppm2 4.011 CV 1 ASSI { 683} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.100 0.600 0.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.10846E-01 ppm1 7.993 ppm2 2.289 CV 1 ASSI { 684} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG2 )) 2.600 0.800 0.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.31247E-02 ppm1 7.994 ppm2 2.530 CV 1 ASSI { 686} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HG3 )) 2.900 1.000 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.16047E-02 ppm1 8.477 ppm2 1.546 CV 1 ASSI { 687} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HG2 )) 3.300 1.400 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.68863E-03 ppm1 8.478 ppm2 1.335 CV 1 ASSI { 688} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HD2 )) 3.500 1.600 1.600 peak 688 spectrum 1 weight 0.10000E+01 volume 0.46932E-03 ppm1 8.476 ppm2 2.836 CV 1 ASSI { 690} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.500 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.39193E-02 ppm1 8.475 ppm2 4.020 CV 1 ASSI { 691} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.600 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.31816E-02 ppm1 8.176 ppm2 4.272 CV 1 ASSI { 693} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HD2%) 2.600 0.800 0.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.33366E-02 ppm1 8.176 ppm2 0.731 CV 1 OR { 693} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HD1%) ASSI { 694} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG2 )) 2.800 2.800 3.200 peak 694 spectrum 1 weight 0.10000E+01 volume 0.20204E-02 ppm1 9.088 ppm2 2.347 CV 1 OR { 694} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG3 )) ASSI { 697} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB )) 3.100 1.200 1.200 peak 697 spectrum 1 weight 0.10000E+01 volume 0.10681E-02 ppm1 8.556 ppm2 4.314 CV 1 ASSI { 698} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HG2%) 2.600 0.900 0.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.29277E-02 ppm1 8.556 ppm2 1.204 CV 1 ASSI { 700} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HD1%) 2.500 0.800 0.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.35621E-02 ppm1 7.294 ppm2 0.914 CV 1 OR { 700} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 701} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD1%) 2.400 2.400 3.600 peak 701 spectrum 1 weight 0.10000E+01 volume 0.46519E-02 ppm1 8.080 ppm2 0.805 CV 1 ASSI { 703} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HG )) 2.400 2.400 3.600 peak 703 spectrum 1 weight 0.10000E+01 volume 0.54077E-02 ppm1 6.968 ppm2 1.652 CV 1 ASSI { 704} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) 2.700 0.900 0.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.24392E-02 ppm1 6.969 ppm2 1.270 CV 1 ASSI { 705} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB )) 3.000 1.100 1.100 peak 705 spectrum 1 weight 0.10000E+01 volume 0.12558E-02 ppm1 8.654 ppm2 4.736 CV 1 ASSI { 706} (( segid " " and resid 48 and name HN )) ( segid " " and resid 48 and name HG2%) 2.400 0.700 0.700 peak 706 spectrum 1 weight 0.10000E+01 volume 0.46653E-02 ppm1 8.654 ppm2 1.323 CV 1 ASSI { 707} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB2 )) 3.200 1.300 1.300 peak 707 spectrum 1 weight 0.10000E+01 volume 0.86596E-03 ppm1 8.340 ppm2 3.857 CV 1 ASSI { 708} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.900 1.000 1.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.16027E-02 ppm1 8.794 ppm2 3.935 CV 1 ASSI { 709} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB2 )) 2.500 2.500 3.500 peak 709 spectrum 1 weight 0.10000E+01 volume 0.39095E-02 ppm1 8.795 ppm2 1.853 CV 1 ASSI { 710} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG3 )) 3.200 1.200 1.200 peak 710 spectrum 1 weight 0.10000E+01 volume 0.93885E-03 ppm1 8.794 ppm2 1.507 CV 1 ASSI { 711} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG2 )) 3.000 1.100 1.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.12940E-02 ppm1 8.794 ppm2 1.641 CV 1 ASSI { 712} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB3 )) 2.900 1.000 1.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.16657E-02 ppm1 8.188 ppm2 3.471 CV 1 ASSI { 713} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG2 )) 3.200 3.200 2.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.79668E-03 ppm1 7.751 ppm2 0.697 CV 1 ASSI { 719} (( segid " " and resid 46 and name HE22)) (( segid " " and resid 46 and name HE21)) 2.300 0.700 0.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.60695E-02 ppm1 6.566 ppm2 6.338 CV 1 ASSI { 726} (( segid " " and resid 85 and name HD22)) (( segid " " and resid 85 and name HD21)) 1.900 0.400 0.400 peak 726 spectrum 1 weight 0.10000E+01 volume 0.21135E-01 ppm1 7.087 ppm2 7.761 CV 1 ASSI { 731} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 35 and name HE22)) 1.700 0.400 0.500 peak 731 spectrum 1 weight 0.10000E+01 volume 0.33496E-01 ppm1 7.338 ppm2 6.762 CV 1 ASSI { 739} (( segid " " and resid 88 and name HE22)) (( segid " " and resid 88 and name HE21)) 1.700 0.400 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.37218E-01 ppm1 7.668 ppm2 6.806 CV 1 ASSI { 743} (( segid " " and resid 11 and name HE22)) (( segid " " and resid 11 and name HE21)) 2.200 0.600 0.600 peak 743 spectrum 1 weight 0.10000E+01 volume 0.76411E-02 ppm1 7.572 ppm2 6.989 CV 1 ASSI { 749} (( segid " " and resid 54 and name HE21)) (( segid " " and resid 54 and name HE22)) 1.700 0.300 0.500 peak 749 spectrum 1 weight 0.10000E+01 volume 0.42853E-01 ppm1 6.848 ppm2 7.298 CV 1 ASSI { 757} (( segid " " and resid 10 and name HD21)) (( segid " " and resid 10 and name HD22)) 1.900 0.400 0.400 peak 757 spectrum 1 weight 0.10000E+01 volume 0.20256E-01 ppm1 7.958 ppm2 6.999 CV 1 ASSI { 762} (( segid " " and resid 105 and name HD22)) (( segid " " and resid 105 and name HD21)) 2.100 0.500 0.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.11767E-01 ppm1 6.996 ppm2 7.612 CV 1 ASSI { 767} (( segid " " and resid 91 and name HE21)) (( segid " " and resid 91 and name HE22)) 1.700 0.300 0.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.44658E-01 ppm1 6.849 ppm2 7.715 CV 1 ASSI { 771} (( segid " " and resid 64 and name HD22)) (( segid " " and resid 64 and name HD21)) 1.800 0.400 0.400 peak 771 spectrum 1 weight 0.10000E+01 volume 0.26092E-01 ppm1 7.923 ppm2 7.003 CV 1 ASSI { 777} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HD1%) 2.400 0.700 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.54542E-02 ppm1 8.403 ppm2 0.869 CV 1 ASSI { 778} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG13)) 2.400 0.700 0.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.46984E-02 ppm1 6.856 ppm2 0.961 CV 1 ASSI { 779} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HG2%) 2.800 1.000 1.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.20669E-02 ppm1 8.403 ppm2 1.026 CV 1 ASSI { 781} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HD2%) 3.000 1.100 1.100 peak 781 spectrum 1 weight 0.10000E+01 volume 0.13509E-02 ppm1 7.377 ppm2 0.711 CV 1 ASSI { 782} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HG2%) 2.400 0.700 0.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.54232E-02 ppm1 8.436 ppm2 0.998 CV 1 ASSI { 783} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HG2%) 2.500 0.800 0.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.35434E-02 ppm1 8.313 ppm2 0.085 CV 1 ASSI { 784} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 2.800 1.000 1.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.19408E-02 ppm1 10.377 ppm2 7.859 CV 1 ASSI { 785} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 2.600 0.900 0.900 peak 785 spectrum 1 weight 0.10000E+01 volume 0.28476E-02 ppm1 8.168 ppm2 4.364 CV 1 ASSI { 786} (( segid " " and resid 3 and name HN )) (( segid " " and resid 1 and name HA )) 3.600 1.600 1.600 peak 786 spectrum 1 weight 0.10000E+01 volume 0.41995E-03 ppm1 7.912 ppm2 4.364 CV 1 OR { 786} (( segid " " and resid 116 and name HN )) (( segid " " and resid 111 and name HA )) ASSI { 787} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA1 )) 2.700 0.900 0.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.23327E-02 ppm1 7.912 ppm2 3.971 CV 1 OR { 787} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) ASSI { 789} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB2 )) 3.500 1.500 1.500 peak 789 spectrum 1 weight 0.10000E+01 volume 0.55318E-03 ppm1 8.425 ppm2 2.722 CV 1 ASSI { 790} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB3 )) 3.300 1.400 1.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.73309E-03 ppm1 8.425 ppm2 2.567 CV 1 ASSI { 791} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.23259E-02 ppm1 7.295 ppm2 4.280 CV 1 OR { 791} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HA )) ASSI { 792} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HG2%) 2.600 0.800 0.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.32234E-02 ppm1 8.429 ppm2 0.883 CV 1 OR { 792} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HG1%) ASSI { 796} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HN )) 2.900 1.100 1.100 peak 796 spectrum 1 weight 0.10000E+01 volume 0.14496E-02 ppm1 7.912 ppm2 8.182 CV 1 ASSI { 797} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 3.200 1.300 1.300 peak 797 spectrum 1 weight 0.10000E+01 volume 0.80133E-03 ppm1 7.912 ppm2 8.435 CV 1 ASSI { 799} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.37172E-02 ppm1 8.429 ppm2 7.803 CV 1 ASSI { 800} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HN )) 2.600 0.800 0.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.32943E-02 ppm1 7.787 ppm2 7.298 CV 1 ASSI { 802} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HN )) 2.800 0.900 0.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.21300E-02 ppm1 7.295 ppm2 7.789 CV 1 ASSI { 804} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HN )) 3.700 1.700 1.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.35719E-03 ppm1 7.295 ppm2 8.421 CV 1 OR { 804} (( segid " " and resid 7 and name HN )) (( segid " " and resid 4 and name HN )) ASSI { 805} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HN )) 3.600 1.600 1.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.45521E-03 ppm1 9.228 ppm2 7.312 CV 1 ASSI { 806} (( segid " " and resid 13 and name HN )) (( segid " " and resid 16 and name HN )) 3.700 1.700 1.700 peak 806 spectrum 1 weight 0.10000E+01 volume 0.36592E-03 ppm1 7.785 ppm2 9.094 CV 1 ASSI { 807} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.22959E-02 ppm1 8.176 ppm2 9.108 CV 1 ASSI { 808} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.19315E-02 ppm1 8.375 ppm2 9.094 CV 1 ASSI { 809} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HN )) 3.700 1.700 1.700 peak 809 spectrum 1 weight 0.10000E+01 volume 0.36944E-03 ppm1 7.739 ppm2 9.094 CV 1 ASSI { 810} (( segid " " and resid 108 and name HN )) (( segid " " and resid 144 and name HN )) 3.000 1.100 1.100 peak 810 spectrum 1 weight 0.10000E+01 volume 0.12361E-02 ppm1 8.993 ppm2 9.880 CV 1 ASSI { 812} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HG1%) 2.500 0.800 0.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.37642E-02 ppm1 8.810 ppm2 0.097 CV 1 ASSI { 813} (( segid " " and resid 30 and name HN )) ( segid " " and resid 31 and name HG2%) 3.700 1.700 1.700 peak 813 spectrum 1 weight 0.10000E+01 volume 0.35677E-03 ppm1 8.109 ppm2 0.111 CV 1 OR { 813} (( segid " " and resid 30 and name HN )) ( segid " " and resid 31 and name HG1%) ASSI { 814} (( segid " " and resid 35 and name HN )) ( segid " " and resid 31 and name HG1%) 3.300 1.400 1.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.73309E-03 ppm1 7.741 ppm2 0.100 CV 1 ASSI { 815} (( segid " " and resid 19 and name HN )) ( segid " " and resid 31 and name HG1%) 3.600 1.600 1.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.43055E-03 ppm1 8.413 ppm2 0.111 CV 1 OR { 815} (( segid " " and resid 19 and name HN )) ( segid " " and resid 31 and name HG2%) ASSI { 816} (( segid " " and resid 20 and name HN )) ( segid " " and resid 31 and name HG1%) 4.000 2.000 2.000 peak 816 spectrum 1 weight 0.10000E+01 volume 0.22820E-03 ppm1 8.205 ppm2 0.100 CV 1 OR { 816} (( segid " " and resid 20 and name HN )) ( segid " " and resid 31 and name HG2%) ASSI { 817} (( segid " " and resid 21 and name HN )) ( segid " " and resid 39 and name HD1%) 3.900 1.900 1.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.27245E-03 ppm1 7.595 ppm2 0.125 CV 1 OR { 817} (( segid " " and resid 21 and name HN )) ( segid " " and resid 31 and name HG1%) ASSI { 818} (( segid " " and resid 22 and name HN )) ( segid " " and resid 31 and name HG1%) 3.000 1.100 1.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.12609E-02 ppm1 7.539 ppm2 0.111 CV 1 ASSI { 819} (( segid " " and resid 23 and name HN )) ( segid " " and resid 31 and name HG1%) 2.900 1.100 1.100 peak 819 spectrum 1 weight 0.10000E+01 volume 0.14708E-02 ppm1 7.304 ppm2 0.107 CV 1 ASSI { 820} (( segid " " and resid 24 and name HN )) ( segid " " and resid 31 and name HG1%) 2.800 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.19878E-02 ppm1 8.267 ppm2 0.111 CV 1 ASSI { 821} (( segid " " and resid 67 and name HN )) ( segid " " and resid 31 and name HG2%) 3.200 1.300 1.300 peak 821 spectrum 1 weight 0.10000E+01 volume 0.79771E-03 ppm1 8.754 ppm2 0.083 CV 1 ASSI { 822} (( segid " " and resid 36 and name HN )) ( segid " " and resid 31 and name HG1%) 3.500 1.600 1.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.47403E-03 ppm1 7.215 ppm2 0.143 CV 1 OR { 822} (( segid " " and resid 36 and name HN )) ( segid " " and resid 39 and name HD1%) ASSI { 823} (( segid " " and resid 38 and name HN )) ( segid " " and resid 39 and name HD1%) 3.700 1.700 1.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.35016E-03 ppm1 7.294 ppm2 0.139 CV 1 OR { 823} (( segid " " and resid 38 and name HN )) ( segid " " and resid 31 and name HG1%) ASSI { 824} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HD1%) 3.700 1.800 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.33646E-03 ppm1 7.952 ppm2 0.125 CV 1 ASSI { 825} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HG12)) 3.700 1.700 1.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.35677E-03 ppm1 7.294 ppm2 -0.409 CV 1 ASSI { 826} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG12)) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.22200E-03 ppm1 7.952 ppm2 -0.395 CV 1 ASSI { 827} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HG12)) 4.200 2.200 1.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.18043E-03 ppm1 7.215 ppm2 -0.380 CV 1 ASSI { 828} (( segid " " and resid 113 and name HN )) ( segid " " and resid 116 and name HD1%) 3.700 1.700 1.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.36536E-03 ppm1 7.790 ppm2 0.209 CV 1 ASSI { 829} (( segid " " and resid 117 and name HN )) ( segid " " and resid 116 and name HD1%) 3.600 1.600 1.600 peak 829 spectrum 1 weight 0.10000E+01 volume 0.45345E-03 ppm1 8.060 ppm2 0.209 CV 1 ASSI { 830} (( segid " " and resid 74 and name HN )) ( segid " " and resid 75 and name HD1%) 3.700 1.700 1.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.37766E-03 ppm1 6.856 ppm2 0.406 CV 1 OR { 830} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HG12)) ASSI { 831} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD1%) 3.200 1.300 1.300 peak 831 spectrum 1 weight 0.10000E+01 volume 0.81426E-03 ppm1 8.479 ppm2 0.392 CV 1 OR { 831} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG12)) ASSI { 832} (( segid " " and resid 72 and name HN )) ( segid " " and resid 75 and name HD1%) 3.600 1.600 1.600 peak 832 spectrum 1 weight 0.10000E+01 volume 0.41349E-03 ppm1 8.141 ppm2 0.392 CV 1 ASSI { 833} (( segid " " and resid 73 and name HN )) ( segid " " and resid 75 and name HD1%) 4.100 2.100 1.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.19087E-03 ppm1 8.264 ppm2 0.392 CV 1 ASSI { 834} (( segid " " and resid 107 and name HN )) ( segid " " and resid 108 and name HG2%) 3.700 1.700 1.700 peak 834 spectrum 1 weight 0.10000E+01 volume 0.38707E-03 ppm1 7.090 ppm2 0.462 CV 1 ASSI { 835} (( segid " " and resid 109 and name HN )) ( segid " " and resid 108 and name HG2%) 3.000 1.100 1.100 peak 835 spectrum 1 weight 0.10000E+01 volume 0.13359E-02 ppm1 9.012 ppm2 0.462 CV 1 ASSI { 836} (( segid " " and resid 101 and name HN )) ( segid " " and resid 108 and name HG2%) 3.100 1.200 1.200 peak 836 spectrum 1 weight 0.10000E+01 volume 0.10283E-02 ppm1 7.871 ppm2 0.462 CV 1 ASSI { 837} (( segid " " and resid 102 and name HN )) ( segid " " and resid 108 and name HG2%) 3.600 1.700 1.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.39648E-03 ppm1 7.622 ppm2 0.476 CV 1 ASSI { 838} (( segid " " and resid 103 and name HN )) ( segid " " and resid 108 and name HG2%) 4.100 2.100 1.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.19589E-03 ppm1 8.640 ppm2 0.476 CV 1 ASSI { 839} (( segid " " and resid 113 and name HN )) ( segid " " and resid 108 and name HG2%) 3.500 3.500 2.500 peak 839 spectrum 1 weight 0.10000E+01 volume 0.47046E-03 ppm1 7.790 ppm2 0.462 CV 1 ASSI { 840} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HA )) 3.800 1.800 1.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.31650E-03 ppm1 7.293 ppm2 3.157 CV 1 ASSI { 841} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 3.400 1.400 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.61987E-03 ppm1 7.953 ppm2 3.157 CV 1 ASSI { 842} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HA )) 3.600 1.700 1.700 peak 842 spectrum 1 weight 0.10000E+01 volume 0.39767E-03 ppm1 7.667 ppm2 3.157 CV 1 ASSI { 843} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HA )) 2.900 1.100 1.100 peak 843 spectrum 1 weight 0.10000E+01 volume 0.14238E-02 ppm1 8.394 ppm2 3.157 CV 1 ASSI { 844} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.100 1.200 1.200 peak 844 spectrum 1 weight 0.10000E+01 volume 0.10996E-02 ppm1 8.738 ppm2 3.466 CV 1 ASSI { 845} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) 3.700 1.700 1.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.37239E-03 ppm1 7.293 ppm2 3.466 CV 1 ASSI { 846} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 3.200 1.300 1.300 peak 846 spectrum 1 weight 0.10000E+01 volume 0.82253E-03 ppm1 7.706 ppm2 3.452 CV 1 ASSI { 847} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 3.800 1.800 1.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.30528E-03 ppm1 7.953 ppm2 3.452 CV 1 ASSI { 848} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HA )) 3.500 1.500 1.500 peak 848 spectrum 1 weight 0.10000E+01 volume 0.52578E-03 ppm1 7.741 ppm2 3.441 CV 1 ASSI { 849} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.900 1.100 1.100 peak 849 spectrum 1 weight 0.10000E+01 volume 0.14615E-02 ppm1 7.742 ppm2 2.736 CV 1 OR { 849} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB3 )) ASSI { 850} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 34 and name HB2 )) 3.900 1.900 1.900 peak 850 spectrum 1 weight 0.10000E+01 volume 0.28615E-03 ppm1 7.338 ppm2 2.736 CV 1 OR { 850} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 34 and name HB3 )) ASSI { 852} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 34 and name HB2 )) 3.900 1.900 1.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.27995E-03 ppm1 6.770 ppm2 2.736 CV 1 OR { 852} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 34 and name HB3 )) ASSI { 854} (( segid " " and resid 33 and name HN )) (( segid " " and resid 66 and name HB3 )) 3.100 1.200 1.200 peak 854 spectrum 1 weight 0.10000E+01 volume 0.96212E-03 ppm1 8.556 ppm2 2.722 CV 1 OR { 854} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HB3 )) ASSI { 855} (( segid " " and resid 32 and name HN )) (( segid " " and resid 66 and name HB3 )) 3.800 1.800 1.800 peak 855 spectrum 1 weight 0.10000E+01 volume 0.30280E-03 ppm1 8.810 ppm2 2.722 CV 1 ASSI { 856} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 3.600 1.700 1.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.40056E-03 ppm1 8.914 ppm2 8.603 CV 1 ASSI { 857} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 2.800 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.21465E-02 ppm1 8.606 ppm2 7.957 CV 1 ASSI { 858} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HN )) 2.800 0.900 0.900 peak 858 spectrum 1 weight 0.10000E+01 volume 0.21331E-02 ppm1 9.637 ppm2 7.943 CV 1 ASSI { 859} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.24123E-02 ppm1 9.637 ppm2 8.098 CV 1 ASSI { 862} (( segid " " and resid 27 and name HN )) (( segid " " and resid 29 and name HN )) 3.600 1.600 1.600 peak 862 spectrum 1 weight 0.10000E+01 volume 0.45464E-03 ppm1 8.606 ppm2 9.642 CV 1 ASSI { 865} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HA )) 3.300 1.300 1.300 peak 865 spectrum 1 weight 0.10000E+01 volume 0.76463E-03 ppm1 8.819 ppm2 5.403 CV 1 ASSI { 866} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HA )) 3.900 1.900 1.900 peak 866 spectrum 1 weight 0.10000E+01 volume 0.26708E-03 ppm1 8.407 ppm2 5.417 CV 1 ASSI { 867} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HA )) 3.700 1.800 1.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.33935E-03 ppm1 7.857 ppm2 5.403 CV 1 ASSI { 868} (( segid " " and resid 64 and name HN )) (( segid " " and resid 60 and name HA )) 3.800 1.800 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.31898E-03 ppm1 10.377 ppm2 5.389 CV 1 ASSI { 869} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HA )) 4.000 2.000 2.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.24257E-03 ppm1 10.902 ppm2 5.389 CV 1 ASSI { 870} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.400 0.700 0.700 peak 870 spectrum 1 weight 0.10000E+01 volume 0.44259E-02 ppm1 8.754 ppm2 5.389 CV 1 ASSI { 873} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 2.500 0.800 0.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.36655E-02 ppm1 8.496 ppm2 5.571 CV 1 ASSI { 874} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 3.800 1.800 1.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.30528E-03 ppm1 8.135 ppm2 5.585 CV 1 ASSI { 875} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.300 0.700 0.700 peak 875 spectrum 1 weight 0.10000E+01 volume 0.60074E-02 ppm1 8.258 ppm2 4.869 CV 1 ASSI { 877} (( segid " " and resid 66 and name HN )) (( segid " " and resid 32 and name HA )) 3.300 1.300 1.300 peak 877 spectrum 1 weight 0.10000E+01 volume 0.75791E-03 ppm1 7.588 ppm2 4.855 CV 1 OR { 877} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HA )) ASSI { 880} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HN )) 3.200 1.300 1.300 peak 880 spectrum 1 weight 0.10000E+01 volume 0.85045E-03 ppm1 7.589 ppm2 10.372 CV 1 ASSI { 881} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 2.400 0.700 0.700 peak 881 spectrum 1 weight 0.10000E+01 volume 0.46653E-02 ppm1 7.589 ppm2 10.905 CV 1 ASSI { 882} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 3.800 1.800 1.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.33392E-03 ppm1 8.752 ppm2 7.592 CV 1 ASSI { 883} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 2.500 0.800 0.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.35336E-02 ppm1 10.377 ppm2 10.905 CV 1 ASSI { 884} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HN )) 3.700 1.700 1.700 peak 884 spectrum 1 weight 0.10000E+01 volume 0.34721E-03 ppm1 10.377 ppm2 8.814 CV 1 ASSI { 885} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.24092E-02 ppm1 7.856 ppm2 8.828 CV 1 ASSI { 886} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 2.900 1.000 1.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.15815E-02 ppm1 7.856 ppm2 10.372 CV 1 ASSI { 887} (( segid " " and resid 63 and name HN )) (( segid " " and resid 65 and name HN )) 3.700 1.800 1.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.33604E-03 ppm1 7.856 ppm2 10.905 CV 1 ASSI { 890} (( segid " " and resid 64 and name HD21)) (( segid " " and resid 64 and name HN )) 3.800 1.800 1.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.30694E-03 ppm1 7.007 ppm2 10.386 CV 1 ASSI { 891} (( segid " " and resid 64 and name HD22)) (( segid " " and resid 64 and name HN )) 3.800 1.800 1.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.33516E-03 ppm1 7.923 ppm2 10.386 CV 1 ASSI { 892} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 2.600 0.900 0.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.27013E-02 ppm1 8.820 ppm2 7.855 CV 1 ASSI { 893} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) 2.600 0.800 0.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.29748E-02 ppm1 10.853 ppm2 7.705 CV 1 ASSI { 894} (( segid " " and resid 141 and name HN )) (( segid " " and resid 143 and name HN )) 3.300 1.400 1.400 peak 894 spectrum 1 weight 0.10000E+01 volume 0.68346E-03 ppm1 8.406 ppm2 7.705 CV 1 ASSI { 895} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HN )) 2.800 1.000 1.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.21000E-02 ppm1 10.853 ppm2 8.407 CV 1 ASSI { 897} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HN )) 2.800 1.000 1.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.20183E-02 ppm1 8.018 ppm2 8.383 CV 1 ASSI { 898} (( segid " " and resid 139 and name HN )) (( segid " " and resid 141 and name HN )) 3.200 1.300 1.300 peak 898 spectrum 1 weight 0.10000E+01 volume 0.90783E-03 ppm1 7.974 ppm2 8.393 CV 1 ASSI { 900} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 2.700 0.900 0.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.22592E-02 ppm1 8.406 ppm2 10.863 CV 1 ASSI { 901} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HN )) 3.700 1.700 1.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.36138E-03 ppm1 8.018 ppm2 10.863 CV 1 ASSI { 902} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HN )) 3.600 1.600 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.45464E-03 ppm1 7.698 ppm2 9.894 CV 1 ASSI { 903} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HN )) 3.700 1.700 1.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.35016E-03 ppm1 8.833 ppm2 9.894 CV 1 ASSI { 904} (( segid " " and resid 146 and name HN )) ( segid " " and resid 146 and name HD% ) 3.100 1.200 1.200 peak 904 spectrum 1 weight 0.10000E+01 volume 0.10448E-02 ppm1 8.486 ppm2 6.565 CV 1 ASSI { 905} (( segid " " and resid 143 and name HN )) (( segid " " and resid 146 and name HZ )) 2.700 2.700 3.300 peak 905 spectrum 1 weight 0.10000E+01 volume 0.23694E-02 ppm1 7.699 ppm2 6.601 CV 1 OR { 905} (( segid " " and resid 143 and name HN )) ( segid " " and resid 146 and name HD% ) ASSI { 906} (( segid " " and resid 141 and name HN )) (( segid " " and resid 146 and name HZ )) 3.700 1.700 1.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.34974E-03 ppm1 8.406 ppm2 6.582 CV 1 ASSI { 907} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 3.100 1.200 1.200 peak 907 spectrum 1 weight 0.10000E+01 volume 0.11544E-02 ppm1 8.018 ppm2 4.673 CV 1 ASSI { 908} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.400 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.47382E-02 ppm1 9.900 ppm2 4.631 CV 1 ASSI { 909} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.300 0.600 0.600 peak 909 spectrum 1 weight 0.10000E+01 volume 0.69173E-02 ppm1 8.835 ppm2 5.108 CV 1 ASSI { 910} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 2.700 0.900 0.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.21765E-02 ppm1 8.485 ppm2 5.276 CV 1 ASSI { 911} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.300 0.700 0.700 peak 911 spectrum 1 weight 0.10000E+01 volume 0.62142E-02 ppm1 8.028 ppm2 4.868 CV 1 ASSI { 912} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HA )) 3.000 1.100 1.100 peak 912 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 7.974 ppm2 4.872 CV 1 ASSI { 913} (( segid " " and resid 140 and name HN )) (( segid " " and resid 137 and name HA )) 3.700 1.700 1.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.38764E-03 ppm1 8.018 ppm2 4.862 CV 1 ASSI { 914} (( segid " " and resid 103 and name HN )) (( segid " " and resid 105 and name HN )) 3.400 1.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.58988E-03 ppm1 8.640 ppm2 9.838 CV 1 ASSI { 915} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HN )) 2.800 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.17691E-02 ppm1 7.657 ppm2 9.838 CV 1 ASSI { 916} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HN )) 2.600 0.900 0.900 peak 916 spectrum 1 weight 0.10000E+01 volume 0.29463E-02 ppm1 10.867 ppm2 9.838 CV 1 ASSI { 917} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HN )) 3.000 1.100 1.100 peak 917 spectrum 1 weight 0.10000E+01 volume 0.12278E-02 ppm1 7.090 ppm2 9.824 CV 1 ASSI { 918} (( segid " " and resid 105 and name HD21)) (( segid " " and resid 105 and name HN )) 3.900 1.900 1.900 peak 918 spectrum 1 weight 0.10000E+01 volume 0.27163E-03 ppm1 7.608 ppm2 9.838 CV 1 ASSI { 919} (( segid " " and resid 105 and name HD22)) (( segid " " and resid 105 and name HN )) 3.700 1.800 1.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.33770E-03 ppm1 6.996 ppm2 9.838 CV 1 ASSI { 920} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 2.500 0.800 0.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.37032E-02 ppm1 7.621 ppm2 8.645 CV 1 ASSI { 921} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HN )) 2.700 0.900 0.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.25022E-02 ppm1 7.657 ppm2 8.645 CV 1 ASSI { 924} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 2.500 0.800 0.800 peak 924 spectrum 1 weight 0.10000E+01 volume 0.41137E-02 ppm1 9.832 ppm2 10.863 CV 1 ASSI { 925} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 2.400 0.700 0.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.53560E-02 ppm1 7.090 ppm2 10.863 CV 1 ASSI { 926} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HN )) 3.500 1.500 1.500 peak 926 spectrum 1 weight 0.10000E+01 volume 0.50572E-03 ppm1 9.483 ppm2 6.975 CV 1 ASSI { 927} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HN )) 2.400 0.700 0.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.43598E-02 ppm1 8.588 ppm2 6.975 CV 1 ASSI { 928} (( segid " " and resid 122 and name HN )) (( segid " " and resid 124 and name HN )) 3.600 1.600 1.600 peak 928 spectrum 1 weight 0.10000E+01 volume 0.44818E-03 ppm1 8.907 ppm2 6.975 CV 1 ASSI { 929} (( segid " " and resid 124 and name HN )) (( segid " " and resid 121 and name HB2 )) 3.300 1.400 1.400 peak 929 spectrum 1 weight 0.10000E+01 volume 0.67932E-03 ppm1 6.968 ppm2 2.876 CV 1 ASSI { 930} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HB2 )) 3.600 1.600 1.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.41235E-03 ppm1 8.588 ppm2 2.862 CV 1 ASSI { 931} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB2 )) 3.400 1.400 1.400 peak 931 spectrum 1 weight 0.10000E+01 volume 0.60384E-03 ppm1 8.910 ppm2 2.862 CV 1 ASSI { 932} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 3.300 1.400 1.400 peak 932 spectrum 1 weight 0.10000E+01 volume 0.72740E-03 ppm1 7.718 ppm2 8.904 CV 1 ASSI { 933} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 2.700 0.900 0.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.24588E-02 ppm1 8.588 ppm2 8.912 CV 1 ASSI { 935} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) 3.600 1.600 1.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.43820E-03 ppm1 8.959 ppm2 9.487 CV 1 ASSI { 937} (( segid " " and resid 127 and name HN )) (( segid " " and resid 125 and name HN )) 3.900 1.900 1.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.26708E-03 ppm1 8.412 ppm2 9.487 CV 1 ASSI { 938} (( segid " " and resid 128 and name HN )) (( segid " " and resid 125 and name HN )) 3.200 1.300 1.300 peak 938 spectrum 1 weight 0.10000E+01 volume 0.92231E-03 ppm1 7.941 ppm2 9.487 CV 1 ASSI { 939} (( segid " " and resid 129 and name HN )) (( segid " " and resid 125 and name HN )) 3.600 1.600 1.600 peak 939 spectrum 1 weight 0.10000E+01 volume 0.41995E-03 ppm1 8.318 ppm2 9.487 CV 1 ASSI { 940} (( segid " " and resid 126 and name HN )) (( segid " " and resid 128 and name HN )) 3.600 1.700 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.40470E-03 ppm1 8.960 ppm2 7.936 CV 1 ASSI { 942} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 2.500 0.800 0.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.41137E-02 ppm1 8.412 ppm2 7.943 CV 1 ASSI { 943} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HN )) 2.600 0.900 0.900 peak 943 spectrum 1 weight 0.10000E+01 volume 0.28310E-02 ppm1 8.318 ppm2 7.943 CV 1 ASSI { 946} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HN )) 3.800 1.800 1.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.29158E-03 ppm1 7.941 ppm2 8.968 CV 1 ASSI { 947} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HN )) 3.200 1.300 1.300 peak 947 spectrum 1 weight 0.10000E+01 volume 0.85613E-03 ppm1 8.907 ppm2 7.719 CV 1 ASSI { 948} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HN )) 2.700 0.900 0.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.23228E-02 ppm1 8.907 ppm2 8.589 CV 1 ASSI { 949} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HN )) 2.500 0.800 0.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.35150E-02 ppm1 6.968 ppm2 8.589 CV 1 ASSI { 951} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HN )) 2.800 1.000 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.18679E-02 ppm1 8.960 ppm2 8.414 CV 1 ASSI { 952} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA1 )) 3.000 1.200 1.200 peak 952 spectrum 1 weight 0.10000E+01 volume 0.11896E-02 ppm1 9.832 ppm2 3.831 CV 1 ASSI { 953} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA2 )) 2.700 0.900 0.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.25053E-02 ppm1 9.832 ppm2 3.634 CV 1 OR { 953} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HA2 )) ASSI { 954} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.900 1.100 1.100 peak 954 spectrum 1 weight 0.10000E+01 volume 0.14615E-02 ppm1 8.640 ppm2 3.985 CV 1 ASSI { 955} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 3.400 1.400 1.400 peak 955 spectrum 1 weight 0.10000E+01 volume 0.62659E-03 ppm1 7.657 ppm2 4.210 CV 1 ASSI { 956} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HN )) 3.200 1.300 1.300 peak 956 spectrum 1 weight 0.10000E+01 volume 0.88715E-03 ppm1 7.682 ppm2 7.115 CV 1 ASSI { 957} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HN )) 2.500 0.800 0.800 peak 957 spectrum 1 weight 0.10000E+01 volume 0.36370E-02 ppm1 7.592 ppm2 7.115 CV 1 ASSI { 958} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 2.600 0.900 0.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.27845E-02 ppm1 7.805 ppm2 7.115 CV 1 ASSI { 960} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HN )) 3.300 1.300 1.300 peak 960 spectrum 1 weight 0.10000E+01 volume 0.78479E-03 ppm1 7.805 ppm2 7.592 CV 1 ASSI { 961} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HN )) 2.800 0.900 0.900 peak 961 spectrum 1 weight 0.10000E+01 volume 0.21367E-02 ppm1 7.105 ppm2 7.817 CV 1 ASSI { 962} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HN )) 2.900 1.100 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.15039E-02 ppm1 8.789 ppm2 7.820 CV 1 ASSI { 963} (( segid " " and resid 149 and name HN )) (( segid " " and resid 151 and name HN )) 3.600 1.600 1.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.40940E-03 ppm1 8.618 ppm2 7.817 CV 1 ASSI { 964} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HN )) 2.500 0.800 0.800 peak 964 spectrum 1 weight 0.10000E+01 volume 0.34302E-02 ppm1 8.317 ppm2 7.270 CV 1 ASSI { 965} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HN )) 3.400 1.400 1.400 peak 965 spectrum 1 weight 0.10000E+01 volume 0.60384E-03 ppm1 8.307 ppm2 7.270 CV 1 ASSI { 966} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HN )) 2.500 0.800 0.800 peak 966 spectrum 1 weight 0.10000E+01 volume 0.35527E-02 ppm1 7.468 ppm2 7.270 CV 1 ASSI { 968} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HN )) 3.500 1.500 1.500 peak 968 spectrum 1 weight 0.10000E+01 volume 0.52061E-03 ppm1 8.317 ppm2 7.480 CV 1 ASSI { 969} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.23957E-02 ppm1 8.449 ppm2 7.480 CV 1 ASSI { 970} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HN )) 2.700 0.900 0.900 peak 970 spectrum 1 weight 0.10000E+01 volume 0.24355E-02 ppm1 8.221 ppm2 7.592 CV 1 OR { 970} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HN )) ASSI { 971} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HN )) 2.500 0.800 0.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.39239E-02 ppm1 8.191 ppm2 7.592 CV 1 ASSI { 972} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 2.800 1.000 1.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.21166E-02 ppm1 6.856 ppm2 7.199 CV 1 ASSI { 973} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HN )) 3.000 1.100 1.100 peak 973 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 8.480 ppm2 7.175 CV 1 ASSI { 974} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HN )) 3.700 1.700 1.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.38299E-03 ppm1 8.253 ppm2 7.199 CV 1 ASSI { 975} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HN )) 2.500 0.800 0.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.36701E-02 ppm1 8.407 ppm2 8.743 CV 1 ASSI { 976} (( segid " " and resid 58 and name HN )) (( segid " " and resid 60 and name HN )) 3.600 1.600 1.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.46638E-03 ppm1 7.751 ppm2 8.743 CV 1 ASSI { 978} (( segid " " and resid 11 and name HE21)) (( segid " " and resid 83 and name HN )) 3.700 1.700 1.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.34638E-03 ppm1 6.968 ppm2 8.743 CV 1 ASSI { 979} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HN )) 3.900 1.900 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.24609E-03 ppm1 7.706 ppm2 8.743 CV 1 ASSI { 980} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 2.600 0.900 0.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.29086E-02 ppm1 7.293 ppm2 8.743 CV 1 ASSI { 981} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 2.900 1.000 1.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.16259E-02 ppm1 7.215 ppm2 8.743 CV 1 ASSI { 982} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.100 1.200 1.200 peak 982 spectrum 1 weight 0.10000E+01 volume 0.10381E-02 ppm1 9.142 ppm2 4.617 CV 1 ASSI { 983} (( segid " " and resid 85 and name HD21)) (( segid " " and resid 85 and name HA )) 3.700 1.700 1.700 peak 983 spectrum 1 weight 0.10000E+01 volume 0.37120E-03 ppm1 7.737 ppm2 5.030 CV 1 ASSI { 984} (( segid " " and resid 87 and name HN )) (( segid " " and resid 85 and name HA )) 3.500 1.500 1.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.52423E-03 ppm1 8.353 ppm2 5.052 CV 1 ASSI { 985} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.600 0.800 0.800 peak 985 spectrum 1 weight 0.10000E+01 volume 0.31438E-02 ppm1 8.995 ppm2 5.389 CV 1 ASSI { 986} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.500 0.800 0.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.41602E-02 ppm1 8.313 ppm2 5.431 CV 1 ASSI { 987} (( segid " " and resid 31 and name HN )) (( segid " " and resid 67 and name HA )) 3.700 1.700 1.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.38061E-03 ppm1 8.313 ppm2 4.883 CV 1 OR { 987} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HA )) ASSI { 988} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 2.700 0.900 0.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.23161E-02 ppm1 8.176 ppm2 8.547 CV 1 ASSI { 989} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HN )) 3.700 1.700 1.700 peak 989 spectrum 1 weight 0.10000E+01 volume 0.38588E-03 ppm1 7.740 ppm2 8.547 CV 1 ASSI { 991} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HN )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.32379E-02 ppm1 7.740 ppm2 8.174 CV 1 ASSI { 992} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA2 )) 2.700 0.900 0.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.22065E-02 ppm1 7.090 ppm2 3.634 CV 1 ASSI { 993} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA1 )) 2.900 1.100 1.100 peak 993 spectrum 1 weight 0.10000E+01 volume 0.15199E-02 ppm1 7.090 ppm2 4.322 CV 1 ASSI { 994} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HN )) 3.500 1.600 1.600 peak 994 spectrum 1 weight 0.10000E+01 volume 0.47754E-03 ppm1 7.090 ppm2 9.010 CV 1 ASSI { 995} (( segid " " and resid 67 and name HN )) (( segid " " and resid 31 and name HN )) 2.900 1.000 1.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.17267E-02 ppm1 8.752 ppm2 8.308 CV 1 ASSI { 998} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HG2 )) 3.200 1.200 1.200 peak 998 spectrum 1 weight 0.10000E+01 volume 0.93627E-03 ppm1 8.168 ppm2 2.536 CV 1 OR { 998} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HG3 )) ASSI { 999} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB3 )) 3.100 1.200 1.200 peak 999 spectrum 1 weight 0.10000E+01 volume 0.10650E-02 ppm1 8.168 ppm2 2.045 CV 1 OR { 999} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB2 )) ASSI { 1000} (( segid " " and resid 116 and name HN )) ( segid " " and resid 112 and name HG2%) 3.600 1.600 1.600 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.44347E-03 ppm1 7.912 ppm2 0.869 CV 1 OR { 1000} (( segid " " and resid 3 and name HN )) ( segid " " and resid 4 and name HG1%) OR { 1000} (( segid " " and resid 3 and name HN )) ( segid " " and resid 4 and name HG2%) ASSI { 1001} (( segid " " and resid 3 and name HN )) ( segid " " and resid 77 and name HB% ) 3.000 1.200 1.200 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.11762E-02 ppm1 7.912 ppm2 1.231 CV 1 ASSI { 1002} (( segid " " and resid 3 and name HN )) (( segid " " and resid 6 and name HG2 )) 3.100 3.100 2.900 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.98228E-03 ppm1 7.912 ppm2 1.369 CV 1 ASSI { 1004} (( segid " " and resid 6 and name HN )) (( segid " " and resid 3 and name HB2 )) 3.500 1.600 1.600 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.47930E-03 ppm1 7.787 ppm2 2.716 CV 1 ASSI { 1005} (( segid " " and resid 6 and name HN )) ( segid " " and resid 4 and name HG1%) 3.400 1.400 1.400 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.60695E-03 ppm1 7.787 ppm2 0.839 CV 1 ASSI { 1006} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HA )) 3.200 1.300 1.300 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.91404E-03 ppm1 7.787 ppm2 3.741 CV 1 ASSI { 1007} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB3 )) 3.100 1.200 1.200 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.98693E-03 ppm1 7.787 ppm2 3.891 CV 1 OR { 1007} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) ASSI { 1009} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.300 1.400 1.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.68449E-03 ppm1 7.296 ppm2 1.979 CV 1 ASSI { 1010} (( segid " " and resid 7 and name HN )) (( segid " " and resid 4 and name HA )) 3.300 1.300 1.300 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.75532E-03 ppm1 7.295 ppm2 3.736 CV 1 ASSI { 1011} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB )) 3.000 1.100 1.100 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.12558E-02 ppm1 8.429 ppm2 2.034 CV 1 ASSI { 1013} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB3 )) 2.700 0.900 0.900 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.22592E-02 ppm1 9.229 ppm2 4.044 CV 1 ASSI { 1014} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HG3 )) 2.700 0.900 0.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.25219E-02 ppm1 9.229 ppm2 2.533 CV 1 OR { 1014} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HG2 )) ASSI { 1015} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.400 1.500 1.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.55421E-03 ppm1 9.229 ppm2 2.288 CV 1 OR { 1015} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HB3 )) ASSI { 1016} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB2 )) 2.700 0.900 0.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.26682E-02 ppm1 9.229 ppm2 1.721 CV 1 ASSI { 1017} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB3 )) 2.900 2.900 3.100 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.17200E-02 ppm1 9.229 ppm2 1.335 CV 1 ASSI { 1018} (( segid " " and resid 8 and name HN )) ( segid " " and resid 12 and name HG2%) 3.400 1.400 1.400 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.61987E-03 ppm1 9.229 ppm2 0.994 CV 1 ASSI { 1019} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HD2%) 2.800 1.000 1.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.20633E-02 ppm1 9.229 ppm2 0.668 CV 1 ASSI { 1020} (( segid " " and resid 8 and name HN )) (( segid " " and resid 12 and name HN )) 3.600 1.700 1.700 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.39999E-03 ppm1 9.229 ppm2 8.434 CV 1 ASSI { 1021} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HN )) 3.400 1.400 1.400 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.62969E-03 ppm1 9.229 ppm2 8.000 CV 1 ASSI { 1022} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 3.100 1.200 1.200 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 7.781 ppm2 3.516 CV 1 ASSI { 1023} (( segid " " and resid 113 and name HN )) (( segid " " and resid 110 and name HA )) 2.800 1.000 1.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.20256E-02 ppm1 7.790 ppm2 3.768 CV 1 OR { 1023} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) ASSI { 1024} (( segid " " and resid 13 and name HN )) ( segid " " and resid 12 and name HG1%) 2.600 0.800 0.800 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.32798E-02 ppm1 7.781 ppm2 1.027 CV 1 OR { 1024} (( segid " " and resid 13 and name HN )) ( segid " " and resid 12 and name HG2%) ASSI { 1025} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA )) 2.900 1.000 1.000 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.17247E-02 ppm1 7.782 ppm2 4.483 CV 1 ASSI { 1026} (( segid " " and resid 113 and name HN )) ( segid " " and resid 108 and name HD1%) 2.800 1.000 1.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.17877E-02 ppm1 7.790 ppm2 0.652 CV 1 OR { 1026} (( segid " " and resid 113 and name HN )) ( segid " " and resid 133 and name HD1%) ASSI { 1027} (( segid " " and resid 113 and name HN )) ( segid " " and resid 112 and name HG2%) 3.000 1.100 1.100 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.13209E-02 ppm1 7.790 ppm2 0.871 CV 1 ASSI { 1028} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB )) 2.600 2.600 3.400 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.28843E-02 ppm1 7.790 ppm2 2.123 CV 1 OR { 1028} (( segid " " and resid 113 and name HN )) ( segid " " and resid 113 and name HE% ) ASSI { 1029} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HN )) 2.500 0.800 0.800 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.35197E-02 ppm1 7.785 ppm2 8.425 CV 1 ASSI { 1030} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.800 1.000 1.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.20669E-02 ppm1 9.088 ppm2 8.381 CV 1 ASSI { 1031} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.23425E-02 ppm1 9.088 ppm2 8.174 CV 1 ASSI { 1033} (( segid " " and resid 16 and name HN )) ( segid " " and resid 69 and name HE% ) 2.900 1.000 1.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.16094E-02 ppm1 9.088 ppm2 7.066 CV 1 OR { 1033} (( segid " " and resid 16 and name HN )) ( segid " " and resid 72 and name HE% ) ASSI { 1034} (( segid " " and resid 16 and name HN )) ( segid " " and resid 69 and name HD% ) 3.900 1.900 1.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.25793E-03 ppm1 9.088 ppm2 6.486 CV 1 OR { 1034} (( segid " " and resid 16 and name HN )) ( segid " " and resid 19 and name HD% ) ASSI { 1035} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 2.700 0.900 0.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.21600E-02 ppm1 9.088 ppm2 4.231 CV 1 OR { 1035} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 1036} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HA )) 3.400 1.400 1.400 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.62297E-03 ppm1 9.088 ppm2 3.514 CV 1 ASSI { 1037} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB3 )) 2.900 1.000 1.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.15928E-02 ppm1 9.088 ppm2 1.571 CV 1 ASSI { 1038} (( segid " " and resid 16 and name HN )) ( segid " " and resid 12 and name HG1%) 3.500 1.500 1.500 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.50396E-03 ppm1 9.092 ppm2 1.053 CV 1 ASSI { 1039} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HD1%) 3.100 1.200 1.200 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.10335E-02 ppm1 9.088 ppm2 0.721 CV 1 OR { 1039} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HD2%) ASSI { 1041} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HB% ) 3.300 1.300 1.300 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.74705E-03 ppm1 8.377 ppm2 1.590 CV 1 ASSI { 1043} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HB2 )) 3.900 1.900 1.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.27954E-03 ppm1 8.377 ppm2 3.015 CV 1 ASSI { 1044} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 2.700 0.900 0.900 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 8.375 ppm2 7.739 CV 1 ASSI { 1045} (( segid " " and resid 17 and name HN )) ( segid " " and resid 43 and name HD1%) 3.700 1.700 1.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.37239E-03 ppm1 8.375 ppm2 0.967 CV 1 ASSI { 1046} (( segid " " and resid 19 and name HN )) ( segid " " and resid 39 and name HG2%) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.51502E-03 ppm1 8.415 ppm2 0.675 CV 1 ASSI { 1047} (( segid " " and resid 19 and name HN )) ( segid " " and resid 43 and name HD1%) 3.600 1.600 1.600 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.43877E-03 ppm1 8.413 ppm2 0.926 CV 1 OR { 1047} (( segid " " and resid 19 and name HN )) ( segid " " and resid 43 and name HD2%) ASSI { 1048} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HB% ) 2.600 0.900 0.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.27147E-02 ppm1 8.413 ppm2 1.568 CV 1 ASSI { 1049} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.300 1.400 1.400 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.68191E-03 ppm1 8.413 ppm2 1.947 CV 1 OR { 1049} (( segid " " and resid 19 and name HN )) (( segid " " and resid 23 and name HB3 )) OR { 1049} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HB3 )) ASSI { 1050} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 3.100 1.200 1.200 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.98073E-03 ppm1 8.413 ppm2 3.741 CV 1 ASSI { 1051} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) 3.700 1.700 1.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.34892E-03 ppm1 8.413 ppm2 4.100 CV 1 ASSI { 1052} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 3.100 1.200 1.200 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.10898E-02 ppm1 8.413 ppm2 4.342 CV 1 ASSI { 1053} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HD% ) 3.000 1.100 1.100 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.13659E-02 ppm1 8.413 ppm2 6.477 CV 1 ASSI { 1054} (( segid " " and resid 19 and name HN )) ( segid " " and resid 72 and name HE% ) 3.400 1.500 1.500 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.56817E-03 ppm1 8.413 ppm2 7.029 CV 1 ASSI { 1055} (( segid " " and resid 19 and name HN )) (( segid " " and resid 72 and name HZ )) 3.300 1.400 1.400 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.67467E-03 ppm1 8.413 ppm2 7.271 CV 1 OR { 1055} (( segid " " and resid 19 and name HN )) (( segid " " and resid 23 and name HN )) ASSI { 1056} (( segid " " and resid 19 and name HN )) (( segid " " and resid 22 and name HN )) 3.500 1.500 1.500 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.51337E-03 ppm1 8.413 ppm2 7.540 CV 1 OR { 1056} (( segid " " and resid 19 and name HN )) ( segid " " and resid 22 and name HD% ) ASSI { 1057} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 2.700 0.900 0.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.26315E-02 ppm1 8.413 ppm2 7.748 CV 1 ASSI { 1058} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.21900E-02 ppm1 8.413 ppm2 8.218 CV 1 ASSI { 1059} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB3 )) 2.700 0.900 0.900 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.25488E-02 ppm1 8.207 ppm2 3.027 CV 1 ASSI { 1060} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 3.200 1.300 1.300 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.85768E-03 ppm1 8.207 ppm2 3.527 CV 1 ASSI { 1061} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HA )) 3.200 1.300 1.300 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.93368E-03 ppm1 8.207 ppm2 3.793 CV 1 ASSI { 1062} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HA )) 3.600 1.600 1.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.44285E-03 ppm1 8.207 ppm2 4.357 CV 1 OR { 1062} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HB )) ASSI { 1064} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 2.800 1.000 1.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.19408E-02 ppm1 8.206 ppm2 7.587 CV 1 ASSI { 1065} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HD% ) 3.100 1.200 1.200 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.10598E-02 ppm1 8.206 ppm2 6.475 CV 1 ASSI { 1066} (( segid " " and resid 18 and name HN )) ( segid " " and resid 43 and name HD1%) 3.000 1.100 1.100 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.13442E-02 ppm1 7.738 ppm2 0.934 CV 1 ASSI { 1067} (( segid " " and resid 18 and name HN )) ( segid " " and resid 39 and name HG2%) 3.400 1.400 1.400 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.60074E-03 ppm1 7.739 ppm2 0.714 CV 1 OR { 1067} (( segid " " and resid 51 and name HN )) ( segid " " and resid 52 and name HD1%) OR { 1067} (( segid " " and resid 18 and name HN )) ( segid " " and resid 15 and name HD2%) ASSI { 1068} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HB2 )) 3.200 1.300 1.300 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.83028E-03 ppm1 7.739 ppm2 3.016 CV 1 ASSI { 1069} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HB )) 2.500 2.500 3.500 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.36091E-02 ppm1 7.746 ppm2 4.766 CV 1 ASSI { 1070} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HA )) 3.000 1.100 1.100 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.14103E-02 ppm1 8.914 ppm2 4.519 CV 1 ASSI { 1071} (( segid " " and resid 26 and name HN )) ( segid " " and resid 24 and name HG2%) 3.900 1.900 1.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.25710E-03 ppm1 8.915 ppm2 1.170 CV 1 ASSI { 1072} (( segid " " and resid 27 and name HN )) (( segid " " and resid 23 and name HG2 )) 2.800 2.800 3.200 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.18348E-02 ppm1 8.606 ppm2 2.274 CV 1 ASSI { 1073} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HG2 )) 2.700 0.900 0.900 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.26082E-02 ppm1 8.605 ppm2 1.953 CV 1 OR { 1073} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 1074} (( segid " " and resid 28 and name HN )) (( segid " " and resid 23 and name HG3 )) 3.000 3.000 3.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 7.943 ppm2 2.212 CV 1 ASSI { 1075} (( segid " " and resid 28 and name HN )) (( segid " " and resid 25 and name HG2 )) 3.100 1.200 1.200 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.11296E-02 ppm1 7.943 ppm2 1.955 CV 1 ASSI { 1076} (( segid " " and resid 28 and name HN )) (( segid " " and resid 24 and name HA )) 2.900 1.000 1.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.17221E-02 ppm1 7.943 ppm2 4.523 CV 1 ASSI { 1078} (( segid " " and resid 29 and name HN )) (( segid " " and resid 24 and name HA )) 3.600 1.600 1.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.46343E-03 ppm1 9.637 ppm2 4.517 CV 1 ASSI { 1079} (( segid " " and resid 29 and name HN )) (( segid " " and resid 23 and name HG2 )) 3.000 1.100 1.100 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.12408E-02 ppm1 9.637 ppm2 2.247 CV 1 OR { 1079} (( segid " " and resid 29 and name HN )) (( segid " " and resid 23 and name HG3 )) ASSI { 1080} (( segid " " and resid 29 and name HN )) (( segid " " and resid 25 and name HG2 )) 3.400 3.400 2.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.62452E-03 ppm1 9.637 ppm2 1.930 CV 1 OR { 1080} (( segid " " and resid 29 and name HN )) (( segid " " and resid 23 and name HB2 )) ASSI { 1081} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.600 1.700 1.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.39648E-03 ppm1 9.637 ppm2 1.630 CV 1 OR { 1081} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HG2 )) ASSI { 1082} (( segid " " and resid 29 and name HN )) ( segid " " and resid 19 and name HE% ) 3.600 3.600 2.400 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.44053E-03 ppm1 9.637 ppm2 6.855 CV 1 ASSI { 1083} (( segid " " and resid 119 and name HN )) ( segid " " and resid 120 and name HD1%) 3.100 1.200 1.200 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.98693E-03 ppm1 7.545 ppm2 0.821 CV 1 OR { 1083} (( segid " " and resid 119 and name HN )) ( segid " " and resid 117 and name HD1%) OR { 1083} (( segid " " and resid 119 and name HN )) ( segid " " and resid 116 and name HG2%) OR { 1083} (( segid " " and resid 119 and name HN )) ( segid " " and resid 129 and name HD2%) ASSI { 1084} (( segid " " and resid 119 and name HN )) ( segid " " and resid 118 and name HB% ) 2.600 0.800 0.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.32896E-02 ppm1 7.544 ppm2 1.426 CV 1 ASSI { 1085} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HB2 )) 3.000 3.000 3.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.12459E-02 ppm1 7.543 ppm2 1.854 CV 1 ASSI { 1086} (( segid " " and resid 119 and name HN )) (( segid " " and resid 116 and name HA )) 3.300 1.300 1.300 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.78582E-03 ppm1 7.543 ppm2 3.582 CV 1 ASSI { 1087} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HN )) 2.700 0.900 0.900 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.26118E-02 ppm1 7.543 ppm2 8.084 CV 1 ASSI { 1088} (( segid " " and resid 22 and name HN )) (( segid " " and resid 19 and name HA )) 3.400 1.400 1.400 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.64210E-03 ppm1 7.539 ppm2 3.536 CV 1 ASSI { 1089} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HB3 )) 3.000 1.200 1.200 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.11648E-02 ppm1 7.539 ppm2 1.964 CV 1 OR { 1089} (( segid " " and resid 119 and name HN )) (( segid " " and resid 116 and name HB )) OR { 1089} (( segid " " and resid 78 and name HN )) (( segid " " and resid 74 and name HB )) OR { 1089} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HB2 )) OR { 1089} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HB3 )) ASSI { 1090} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.000 1.200 1.200 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.11694E-02 ppm1 7.539 ppm2 2.821 CV 1 ASSI { 1091} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HA1 )) 3.200 1.300 1.300 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.79410E-03 ppm1 7.561 ppm2 3.266 CV 1 ASSI { 1092} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.100 1.200 1.200 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 7.560 ppm2 3.890 CV 1 ASSI { 1093} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) 2.600 0.900 0.900 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.27447E-02 ppm1 7.558 ppm2 7.003 CV 1 ASSI { 1094} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 2.700 0.900 0.900 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.25022E-02 ppm1 7.558 ppm2 8.253 CV 1 ASSI { 1095} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HN )) 3.300 1.400 1.400 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.67312E-03 ppm1 7.558 ppm2 8.473 CV 1 ASSI { 1096} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 2.400 0.700 0.700 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.52991E-02 ppm1 7.539 ppm2 7.299 CV 1 ASSI { 1097} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.800 1.800 1.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.33144E-03 ppm1 7.305 ppm2 2.827 CV 1 ASSI { 1098} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.300 1.300 1.300 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.78220E-03 ppm1 7.305 ppm2 3.053 CV 1 ASSI { 1099} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.900 1.000 1.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.17412E-02 ppm1 7.303 ppm2 4.336 CV 1 ASSI { 1101} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HN )) 3.100 3.100 2.900 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.10283E-02 ppm1 7.303 ppm2 8.262 CV 1 ASSI { 1102} (( segid " " and resid 31 and name HN )) ( segid " " and resid 67 and name HD1%) 3.900 1.900 1.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.25519E-03 ppm1 8.313 ppm2 0.765 CV 1 ASSI { 1103} (( segid " " and resid 31 and name HN )) ( segid " " and resid 67 and name HG2%) 3.600 1.700 1.700 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.40351E-03 ppm1 8.313 ppm2 1.008 CV 1 ASSI { 1104} (( segid " " and resid 31 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.200 1.300 1.300 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.81271E-03 ppm1 8.313 ppm2 2.607 CV 1 ASSI { 1105} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HD2 )) 3.400 1.500 1.500 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.56972E-03 ppm1 8.313 ppm2 3.098 CV 1 OR { 1105} (( segid " " and resid 31 and name HN )) (( segid " " and resid 72 and name HB3 )) ASSI { 1106} (( segid " " and resid 31 and name HN )) (( segid " " and resid 19 and name HZ )) 3.100 1.200 1.200 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.10748E-02 ppm1 8.314 ppm2 7.245 CV 1 ASSI { 1107} (( segid " " and resid 31 and name HN )) ( segid " " and resid 19 and name HE% ) 3.300 1.400 1.400 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.71706E-03 ppm1 8.314 ppm2 6.860 CV 1 ASSI { 1108} (( segid " " and resid 31 and name HN )) (( segid " " and resid 68 and name HA )) 3.400 1.400 1.400 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.65192E-03 ppm1 8.313 ppm2 5.611 CV 1 ASSI { 1109} (( segid " " and resid 32 and name HN )) ( segid " " and resid 24 and name HG2%) 3.300 3.300 2.700 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.78582E-03 ppm1 8.810 ppm2 1.176 CV 1 ASSI { 1110} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB )) 2.600 2.600 3.400 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.32565E-02 ppm1 8.810 ppm2 1.478 CV 1 ASSI { 1111} (( segid " " and resid 32 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.400 1.500 1.500 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.56042E-03 ppm1 8.810 ppm2 1.908 CV 1 OR { 1111} (( segid " " and resid 150 and name HN )) ( segid " " and resid 150 and name HE% ) ASSI { 1112} (( segid " " and resid 32 and name HN )) (( segid " " and resid 35 and name HG3 )) 3.500 1.600 1.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.48225E-03 ppm1 8.810 ppm2 2.421 CV 1 OR { 1112} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB3 )) ASSI { 1113} (( segid " " and resid 32 and name HN )) (( segid " " and resid 23 and name HG3 )) 3.600 1.700 1.700 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.39824E-03 ppm1 8.810 ppm2 2.215 CV 1 OR { 1113} (( segid " " and resid 32 and name HN )) (( segid " " and resid 35 and name HB3 )) OR { 1113} (( segid " " and resid 150 and name HN )) (( segid " " and resid 93 and name HB3 )) ASSI { 1114} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.300 0.600 0.600 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.69742E-02 ppm1 8.808 ppm2 4.320 CV 1 ASSI { 1115} (( segid " " and resid 32 and name HN )) (( segid " " and resid 66 and name HA )) 3.700 1.700 1.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.34183E-03 ppm1 8.808 ppm2 5.391 CV 1 ASSI { 1116} (( segid " " and resid 32 and name HN )) (( segid " " and resid 24 and name HN )) 3.400 1.500 1.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.59816E-03 ppm1 8.808 ppm2 8.308 CV 1 ASSI { 1118} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HD3 )) 3.400 3.400 2.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.61625E-03 ppm1 7.282 ppm2 3.185 CV 1 OR { 1118} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HD2 )) ASSI { 1119} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 3.500 1.500 1.500 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.53508E-03 ppm1 7.282 ppm2 1.914 CV 1 ASSI { 1121} (( segid " " and resid 30 and name HE )) (( segid " " and resid 30 and name HD2 )) 2.700 0.900 0.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.26351E-02 ppm1 7.381 ppm2 3.103 CV 1 ASSI { 1122} (( segid " " and resid 30 and name HE )) (( segid " " and resid 30 and name HG2 )) 3.000 1.100 1.100 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.12925E-02 ppm1 7.381 ppm2 1.646 CV 1 ASSI { 1123} (( segid " " and resid 30 and name HE )) (( segid " " and resid 30 and name HG3 )) 3.300 1.400 1.400 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 7.381 ppm2 1.441 CV 1 ASSI { 1124} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.300 1.300 1.300 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.74705E-03 ppm1 8.556 ppm2 4.069 CV 1 ASSI { 1125} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 2.300 0.700 0.700 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.56352E-02 ppm1 8.556 ppm2 4.840 CV 1 ASSI { 1126} (( segid " " and resid 33 and name HN )) (( segid " " and resid 66 and name HA )) 2.700 0.900 0.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.24454E-02 ppm1 8.556 ppm2 5.368 CV 1 ASSI { 1127} (( segid " " and resid 33 and name HN )) ( segid " " and resid 36 and name HD1%) 3.300 1.400 1.400 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.67105E-03 ppm1 8.556 ppm2 0.865 CV 1 OR { 1127} (( segid " " and resid 33 and name HN )) ( segid " " and resid 56 and name HD1%) ASSI { 1128} (( segid " " and resid 33 and name HN )) (( segid " " and resid 67 and name HG13)) 3.600 3.600 2.400 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.41525E-03 ppm1 8.556 ppm2 1.658 CV 1 OR { 1128} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 1131} (( segid " " and resid 35 and name HN )) (( segid " " and resid 37 and name HN )) 3.300 1.400 1.400 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.67364E-03 ppm1 7.740 ppm2 8.779 CV 1 OR { 1131} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 1132} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HA )) 3.500 1.600 1.600 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.48338E-03 ppm1 8.835 ppm2 3.997 CV 1 ASSI { 1133} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HG2 )) 3.200 1.300 1.300 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.92438E-03 ppm1 8.836 ppm2 2.961 CV 1 ASSI { 1134} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB3 )) 2.700 0.900 0.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.24955E-02 ppm1 8.836 ppm2 2.435 CV 1 ASSI { 1135} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB2 )) 3.000 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.13954E-02 ppm1 8.836 ppm2 2.092 CV 1 ASSI { 1136} (( segid " " and resid 145 and name HN )) ( segid " " and resid 144 and name HG1%) 2.900 1.000 1.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.17433E-02 ppm1 8.836 ppm2 1.239 CV 1 ASSI { 1137} (( segid " " and resid 145 and name HN )) ( segid " " and resid 136 and name HG2%) 3.600 1.600 1.600 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.46224E-03 ppm1 8.836 ppm2 0.868 CV 1 OR { 1137} (( segid " " and resid 145 and name HN )) ( segid " " and resid 152 and name HG1%) ASSI { 1138} (( segid " " and resid 145 and name HN )) ( segid " " and resid 144 and name HG2%) 3.100 1.200 1.200 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.11182E-02 ppm1 8.836 ppm2 0.674 CV 1 OR { 1138} (( segid " " and resid 145 and name HN )) ( segid " " and resid 108 and name HD1%) ASSI { 1140} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA2 )) 3.100 1.200 1.200 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.11146E-02 ppm1 10.853 ppm2 3.799 CV 1 ASSI { 1141} (( segid " " and resid 142 and name HN )) (( segid " " and resid 137 and name HB3 )) 3.900 1.900 1.900 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.27121E-03 ppm1 10.853 ppm2 2.891 CV 1 ASSI { 1143} (( segid " " and resid 142 and name HN )) ( segid " " and resid 143 and name HG2%) 3.800 1.800 1.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.29365E-03 ppm1 10.853 ppm2 0.631 CV 1 OR { 1143} (( segid " " and resid 142 and name HN )) ( segid " " and resid 144 and name HG2%) ASSI { 1144} (( segid " " and resid 142 and name HN )) (( segid " " and resid 146 and name HZ )) 3.500 3.500 2.500 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.47108E-03 ppm1 10.853 ppm2 6.609 CV 1 ASSI { 1145} (( segid " " and resid 143 and name HN )) ( segid " " and resid 110 and name HG2%) 3.400 1.500 1.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.55731E-03 ppm1 7.698 ppm2 0.994 CV 1 ASSI { 1146} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA2 )) 2.900 1.100 1.100 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.14419E-02 ppm1 7.698 ppm2 3.489 CV 1 ASSI { 1147} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.700 0.900 0.900 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.22996E-02 ppm1 7.698 ppm2 4.114 CV 1 ASSI { 1149} (( segid " " and resid 144 and name HN )) (( segid " " and resid 107 and name HA )) 3.700 3.700 2.300 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.35471E-03 ppm1 9.900 ppm2 5.373 CV 1 ASSI { 1150} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB )) 2.900 1.000 1.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.17267E-02 ppm1 9.900 ppm2 3.744 CV 1 ASSI { 1151} (( segid " " and resid 144 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.700 1.700 1.700 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.38004E-03 ppm1 9.900 ppm2 3.070 CV 1 OR { 1151} (( segid " " and resid 144 and name HN )) (( segid " " and resid 149 and name HB3 )) ASSI { 1152} (( segid " " and resid 144 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.400 1.500 1.500 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.57231E-03 ppm1 9.900 ppm2 2.690 CV 1 ASSI { 1153} (( segid " " and resid 144 and name HN )) (( segid " " and resid 108 and name HB )) 4.000 2.000 2.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.23316E-03 ppm1 9.902 ppm2 1.809 CV 1 ASSI { 1154} (( segid " " and resid 144 and name HN )) ( segid " " and resid 110 and name HG2%) 3.300 1.300 1.300 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.75325E-03 ppm1 9.901 ppm2 1.032 CV 1 ASSI { 1155} (( segid " " and resid 144 and name HN )) ( segid " " and resid 107 and name HD% ) 3.600 3.600 2.400 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.43525E-03 ppm1 9.901 ppm2 6.648 CV 1 ASSI { 1156} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HA2 )) 3.600 1.600 1.600 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.46048E-03 ppm1 8.406 ppm2 3.483 CV 1 ASSI { 1157} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB3 )) 3.700 1.700 1.700 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.34059E-03 ppm1 8.406 ppm2 3.052 CV 1 ASSI { 1158} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 2.700 0.900 0.900 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.26449E-02 ppm1 8.406 ppm2 8.004 CV 1 ASSI { 1159} (( segid " " and resid 140 and name HN )) ( segid " " and resid 138 and name HB% ) 3.400 1.400 1.400 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.63952E-03 ppm1 8.018 ppm2 1.542 CV 1 ASSI { 1160} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.500 1.600 1.600 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.48695E-03 ppm1 8.018 ppm2 2.718 CV 1 ASSI { 1161} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB3 )) 3.700 1.700 1.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.35926E-03 ppm1 8.018 ppm2 3.055 CV 1 ASSI { 1162} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HA )) 3.000 1.100 1.100 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.13359E-02 ppm1 8.018 ppm2 4.097 CV 1 ASSI { 1163} (( segid " " and resid 139 and name HN )) ( segid " " and resid 138 and name HB% ) 2.500 0.800 0.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.37078E-02 ppm1 7.974 ppm2 1.534 CV 1 ASSI { 1164} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.700 1.700 1.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.34933E-03 ppm1 7.974 ppm2 1.963 CV 1 ASSI { 1165} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HA2 )) 2.900 2.900 3.100 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 7.974 ppm2 3.786 CV 1 OR { 1165} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HA1 )) ASSI { 1166} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) 2.800 1.000 1.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.18606E-02 ppm1 7.974 ppm2 4.094 CV 1 ASSI { 1167} (( segid " " and resid 139 and name HN )) (( segid " " and resid 148 and name HG3 )) 3.800 1.800 1.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.32188E-03 ppm1 7.974 ppm2 2.483 CV 1 ASSI { 1168} (( segid " " and resid 138 and name HN )) (( segid " " and resid 136 and name HA )) 3.600 1.600 1.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.44875E-03 ppm1 8.026 ppm2 3.726 CV 1 ASSI { 1169} (( segid " " and resid 138 and name HN )) (( segid " " and resid 148 and name HG2 )) 3.100 1.200 1.200 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.98331E-03 ppm1 8.026 ppm2 2.916 CV 1 ASSI { 1170} (( segid " " and resid 138 and name HN )) (( segid " " and resid 148 and name HG3 )) 3.000 1.100 1.100 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.12558E-02 ppm1 8.026 ppm2 2.482 CV 1 ASSI { 1171} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.200 1.200 1.200 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.95178E-03 ppm1 8.026 ppm2 1.964 CV 1 ASSI { 1172} (( segid " " and resid 138 and name HN )) ( segid " " and resid 136 and name HG2%) 3.500 1.500 1.500 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.50163E-03 ppm1 8.026 ppm2 0.844 CV 1 ASSI { 1173} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HN )) 3.200 1.300 1.300 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.81994E-03 ppm1 8.026 ppm2 8.295 CV 1 ASSI { 1174} (( segid " " and resid 131 and name HN )) ( segid " " and resid 124 and name HD1%) 3.800 1.800 1.800 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.30983E-03 ppm1 7.589 ppm2 0.844 CV 1 OR { 1174} (( segid " " and resid 131 and name HN )) ( segid " " and resid 129 and name HD2%) OR { 1174} (( segid " " and resid 131 and name HN )) ( segid " " and resid 133 and name HG2%) ASSI { 1175} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HB2 )) 3.300 1.300 1.300 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.76256E-03 ppm1 7.589 ppm2 2.070 CV 1 OR { 1175} (( segid " " and resid 131 and name HN )) (( segid " " and resid 129 and name HB3 )) ASSI { 1176} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB3 )) 2.500 2.500 3.500 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.41535E-02 ppm1 7.589 ppm2 2.803 CV 1 ASSI { 1177} (( segid " " and resid 131 and name HN )) (( segid " " and resid 128 and name HA )) 3.100 1.200 1.200 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.11332E-02 ppm1 7.589 ppm2 4.366 CV 1 ASSI { 1178} (( segid " " and resid 131 and name HN )) (( segid " " and resid 129 and name HA )) 3.600 1.600 1.600 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.41468E-03 ppm1 7.589 ppm2 3.933 CV 1 ASSI { 1179} (( segid " " and resid 131 and name HN )) (( segid " " and resid 135 and name HN )) 3.700 3.700 2.300 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.34768E-03 ppm1 7.589 ppm2 7.266 CV 1 ASSI { 1182} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 2.300 0.700 0.700 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.62607E-02 ppm1 7.589 ppm2 8.203 CV 1 OR { 1182} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HN )) ASSI { 1183} (( segid " " and resid 131 and name HN )) (( segid " " and resid 133 and name HN )) 3.400 1.400 1.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.63279E-03 ppm1 7.589 ppm2 8.420 CV 1 ASSI { 1184} (( segid " " and resid 112 and name HN )) ( segid " " and resid 108 and name HD1%) 3.400 1.500 1.500 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.57489E-03 ppm1 7.609 ppm2 0.621 CV 1 OR { 1184} (( segid " " and resid 112 and name HN )) ( segid " " and resid 133 and name HD1%) OR { 1184} (( segid " " and resid 112 and name HN )) ( segid " " and resid 144 and name HG2%) OR { 1184} (( segid " " and resid 112 and name HN )) ( segid " " and resid 143 and name HG2%) ASSI { 1185} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB2 )) 2.700 0.900 0.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.26749E-02 ppm1 7.611 ppm2 2.635 CV 1 ASSI { 1186} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 3.000 1.100 1.100 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.12744E-02 ppm1 7.609 ppm2 4.358 CV 1 ASSI { 1187} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HN )) 2.700 0.900 0.900 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.21796E-02 ppm1 7.613 ppm2 8.127 CV 1 ASSI { 1188} (( segid " " and resid 112 and name HN )) (( segid " " and resid 114 and name HN )) 3.300 1.400 1.400 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.68708E-03 ppm1 7.613 ppm2 8.357 CV 1 OR { 1188} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HN )) ASSI { 1189} (( segid " " and resid 112 and name HN )) (( segid " " and resid 109 and name HN )) 3.600 1.600 1.600 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.44285E-03 ppm1 7.613 ppm2 8.993 CV 1 ASSI { 1190} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HG3 )) 3.100 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.10319E-02 ppm1 7.620 ppm2 2.318 CV 1 OR { 1190} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HB3 )) OR { 1190} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HG2 )) ASSI { 1191} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 3.400 1.400 1.400 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.62452E-03 ppm1 7.619 ppm2 4.410 CV 1 OR { 1191} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HA )) ASSI { 1192} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.200 0.600 0.600 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.83752E-02 ppm1 7.618 ppm2 4.679 CV 1 ASSI { 1193} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HN )) 3.700 1.700 1.700 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.38764E-03 ppm1 7.621 ppm2 7.273 CV 1 ASSI { 1194} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HN )) 2.900 1.000 1.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.16590E-02 ppm1 7.621 ppm2 7.847 CV 1 ASSI { 1195} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.700 1.700 1.700 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.36138E-03 ppm1 8.959 ppm2 1.963 CV 1 OR { 1195} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HB3 )) ASSI { 1196} (( segid " " and resid 126 and name HN )) ( segid " " and resid 129 and name HD2%) 3.600 1.600 1.600 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.44580E-03 ppm1 8.959 ppm2 0.816 CV 1 OR { 1196} (( segid " " and resid 126 and name HN )) ( segid " " and resid 124 and name HD1%) ASSI { 1197} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB2 )) 2.700 0.900 0.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.23296E-02 ppm1 8.959 ppm2 4.389 CV 1 ASSI { 1198} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.400 0.700 0.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.45190E-02 ppm1 8.959 ppm2 4.566 CV 1 ASSI { 1201} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB3 )) 2.800 1.000 1.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.17996E-02 ppm1 9.483 ppm2 4.085 CV 1 ASSI { 1203} (( segid " " and resid 125 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.700 0.900 0.900 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.22029E-02 ppm1 9.483 ppm2 3.000 CV 1 ASSI { 1204} (( segid " " and resid 125 and name HN )) (( segid " " and resid 128 and name HB3 )) 3.000 1.100 1.100 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.13509E-02 ppm1 9.483 ppm2 2.590 CV 1 ASSI { 1205} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB3 )) 3.200 1.300 1.300 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.84838E-03 ppm1 9.483 ppm2 1.809 CV 1 ASSI { 1206} (( segid " " and resid 125 and name HN )) (( segid " " and resid 129 and name HG )) 3.300 1.300 1.300 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.76618E-03 ppm1 9.483 ppm2 1.632 CV 1 OR { 1206} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG )) ASSI { 1207} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) 3.000 1.100 1.100 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.13907E-02 ppm1 9.483 ppm2 1.283 CV 1 ASSI { 1208} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HD1%) 2.800 1.000 1.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.21000E-02 ppm1 9.483 ppm2 0.779 CV 1 ASSI { 1209} (( segid " " and resid 125 and name HN )) (( segid " " and resid 129 and name HN )) 3.700 1.700 1.700 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.37063E-03 ppm1 9.483 ppm2 8.350 CV 1 ASSI { 1210} (( segid " " and resid 124 and name HN )) (( segid " " and resid 121 and name HB3 )) 3.400 1.400 1.400 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.66020E-03 ppm1 6.968 ppm2 2.374 CV 1 ASSI { 1211} (( segid " " and resid 124 and name HN )) (( segid " " and resid 121 and name HA )) 3.400 1.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.58161E-03 ppm1 6.968 ppm2 4.725 CV 1 ASSI { 1213} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HB3 )) 3.200 1.300 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.86337E-03 ppm1 8.588 ppm2 2.350 CV 1 ASSI { 1214} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.200 1.300 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.87526E-03 ppm1 8.588 ppm2 2.172 CV 1 OR { 1214} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB3 )) ASSI { 1215} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HB3 )) 3.500 1.500 1.500 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.50220E-03 ppm1 8.588 ppm2 1.825 CV 1 ASSI { 1216} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HG )) 3.300 3.300 2.700 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.78944E-03 ppm1 8.588 ppm2 1.628 CV 1 ASSI { 1217} (( segid " " and resid 123 and name HN )) ( segid " " and resid 124 and name HD1%) 3.600 1.600 1.600 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.41587E-03 ppm1 8.589 ppm2 0.814 CV 1 ASSI { 1219} (( segid " " and resid 122 and name HN )) ( segid " " and resid 123 and name HG2%) 3.400 1.400 1.400 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.60695E-03 ppm1 8.909 ppm2 1.228 CV 1 ASSI { 1220} (( segid " " and resid 122 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.900 3.900 2.100 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.28367E-03 ppm1 8.909 ppm2 1.588 CV 1 ASSI { 1221} (( segid " " and resid 122 and name HN )) (( segid " " and resid 118 and name HA )) 3.700 1.700 1.700 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.38945E-03 ppm1 8.904 ppm2 4.105 CV 1 OR { 1221} (( segid " " and resid 122 and name HN )) (( segid " " and resid 119 and name HA )) ASSI { 1222} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) 2.100 0.500 0.500 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.12351E-01 ppm1 8.904 ppm2 4.668 CV 1 ASSI { 1223} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.400 1.400 1.400 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.59971E-03 ppm1 7.718 ppm2 2.129 CV 1 OR { 1223} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HB3 )) OR { 1223} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HB3 )) ASSI { 1224} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.600 0.800 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.31485E-02 ppm1 7.718 ppm2 1.841 CV 1 ASSI { 1225} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.900 1.000 1.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.17366E-02 ppm1 7.718 ppm2 1.524 CV 1 ASSI { 1227} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HA )) 3.600 1.700 1.700 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.40589E-03 ppm1 7.718 ppm2 4.469 CV 1 ASSI { 1228} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HA )) 2.500 0.800 0.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.34116E-02 ppm1 7.718 ppm2 4.139 CV 1 OR { 1228} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) ASSI { 1229} (( segid " " and resid 121 and name HN )) (( segid " " and resid 117 and name HA )) 3.500 1.500 1.500 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.50810E-03 ppm1 7.718 ppm2 3.868 CV 1 ASSI { 1230} (( segid " " and resid 120 and name HN )) (( segid " " and resid 117 and name HA )) 3.200 1.300 1.300 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.92127E-03 ppm1 7.612 ppm2 3.877 CV 1 ASSI { 1231} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) 2.700 0.900 0.900 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.23926E-02 ppm1 7.612 ppm2 2.117 CV 1 ASSI { 1233} (( segid " " and resid 118 and name HN )) ( segid " " and resid 117 and name HD1%) 2.600 0.800 0.800 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.31816E-02 ppm1 8.069 ppm2 0.835 CV 1 ASSI { 1234} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB3 )) 2.800 1.000 1.000 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.18891E-02 ppm1 8.069 ppm2 1.217 CV 1 ASSI { 1235} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.500 0.800 0.800 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.36655E-02 ppm1 8.069 ppm2 1.877 CV 1 ASSI { 1236} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 2.500 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.38769E-02 ppm1 8.069 ppm2 7.548 CV 1 ASSI { 1237} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HN )) 2.600 0.800 0.800 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.32095E-02 ppm1 8.070 ppm2 8.425 CV 1 ASSI { 1238} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HN )) 2.700 0.900 0.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.25353E-02 ppm1 8.066 ppm2 7.627 CV 1 ASSI { 1239} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 2.900 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.16425E-02 ppm1 8.066 ppm2 4.183 CV 1 ASSI { 1240} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.500 0.800 0.800 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.39002E-02 ppm1 8.066 ppm2 3.951 CV 1 ASSI { 1241} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 3.200 1.300 1.300 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.86130E-03 ppm1 8.066 ppm2 3.512 CV 1 ASSI { 1242} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HD3 )) 3.500 1.600 1.600 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.48225E-03 ppm1 8.066 ppm2 3.225 CV 1 OR { 1242} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HD2 )) ASSI { 1243} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.100 0.600 0.600 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.10128E-01 ppm1 8.066 ppm2 1.982 CV 1 OR { 1243} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB )) ASSI { 1244} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG3 )) 2.800 0.900 0.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.21331E-02 ppm1 8.066 ppm2 1.735 CV 1 ASSI { 1245} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG12)) 3.300 1.400 1.400 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.74136E-03 ppm1 8.066 ppm2 1.460 CV 1 ASSI { 1246} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HG2%) 2.800 1.000 1.000 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.20090E-02 ppm1 8.066 ppm2 0.886 CV 1 ASSI { 1247} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD1%) 3.400 1.500 1.500 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.57127E-03 ppm1 8.066 ppm2 0.700 CV 1 ASSI { 1248} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA1 )) 2.900 1.000 1.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 8.079 ppm2 4.160 CV 1 ASSI { 1249} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HA )) 2.500 0.800 0.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.39612E-02 ppm1 8.079 ppm2 3.885 CV 1 OR { 1249} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HA )) OR { 1249} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA2 )) ASSI { 1250} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HN )) 3.200 1.300 1.300 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.92334E-03 ppm1 8.079 ppm2 7.638 CV 1 OR { 1250} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HN )) ASSI { 1251} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HB3 )) 3.300 3.300 2.700 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.67519E-03 ppm1 8.079 ppm2 2.181 CV 1 OR { 1251} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HB2 )) OR { 1251} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HG3 )) ASSI { 1254} (( segid " " and resid 133 and name HN )) (( segid " " and resid 110 and name HB )) 3.000 3.000 3.000 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.12609E-02 ppm1 8.427 ppm2 4.317 CV 1 OR { 1254} (( segid " " and resid 92 and name HN )) (( segid " " and resid 154 and name HB )) OR { 1254} (( segid " " and resid 133 and name HN )) (( segid " " and resid 111 and name HA )) ASSI { 1255} (( segid " " and resid 94 and name HN )) ( segid " " and resid 93 and name HD2%) 3.300 1.400 1.400 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.71500E-03 ppm1 8.476 ppm2 0.879 CV 1 OR { 1255} (( segid " " and resid 94 and name HN )) ( segid " " and resid 93 and name HD1%) ASSI { 1256} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB3 )) 2.600 0.900 0.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.28176E-02 ppm1 8.476 ppm2 2.182 CV 1 ASSI { 1257} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) 3.100 1.200 1.200 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.10614E-02 ppm1 8.475 ppm2 4.463 CV 1 ASSI { 1258} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HN )) 2.600 0.800 0.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.31717E-02 ppm1 8.475 ppm2 8.007 CV 1 ASSI { 1259} (( segid " " and resid 94 and name HN )) (( segid " " and resid 97 and name HZ )) 3.100 3.100 2.900 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.11348E-02 ppm1 8.475 ppm2 7.192 CV 1 ASSI { 1260} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB3 )) 2.800 1.000 1.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.20468E-02 ppm1 8.003 ppm2 1.839 CV 1 OR { 1260} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB2 )) ASSI { 1261} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG3 )) 3.800 1.800 1.800 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.31733E-03 ppm1 8.003 ppm2 1.539 CV 1 ASSI { 1262} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG2 )) 3.700 1.700 1.700 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.34307E-03 ppm1 8.003 ppm2 1.299 CV 1 ASSI { 1264} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HA )) 3.900 1.900 1.900 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.27245E-03 ppm1 8.003 ppm2 4.452 CV 1 ASSI { 1266} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB3 )) 3.000 1.200 1.200 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 8.397 ppm2 2.515 CV 1 ASSI { 1267} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HA1 )) 3.100 1.200 1.200 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.11415E-02 ppm1 8.397 ppm2 3.284 CV 1 ASSI { 1268} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.92593E-03 ppm1 8.395 ppm2 3.879 CV 1 ASSI { 1269} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.200 1.300 1.300 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.91404E-03 ppm1 8.395 ppm2 4.853 CV 1 ASSI { 1270} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.800 1.000 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.19501E-02 ppm1 8.395 ppm2 8.184 CV 1 ASSI { 1271} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HN )) 3.400 1.400 1.400 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.62866E-03 ppm1 8.395 ppm2 7.573 CV 1 ASSI { 1272} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 2.400 0.700 0.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.54284E-02 ppm1 8.395 ppm2 7.003 CV 1 ASSI { 1273} (( segid " " and resid 4 and name HN )) ( segid " " and resid 77 and name HB% ) 3.300 1.400 1.400 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.66950E-03 ppm1 8.425 ppm2 1.215 CV 1 ASSI { 1274} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.200 0.600 0.600 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.82563E-02 ppm1 8.424 ppm2 4.658 CV 1 ASSI { 1275} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) 3.600 1.700 1.700 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.40527E-03 ppm1 8.394 ppm2 4.268 CV 1 ASSI { 1276} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.500 0.800 0.800 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.36231E-02 ppm1 8.394 ppm2 2.186 CV 1 ASSI { 1277} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HG )) 3.200 1.300 1.300 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.88819E-03 ppm1 8.394 ppm2 1.882 CV 1 ASSI { 1278} (( segid " " and resid 42 and name HN )) ( segid " " and resid 18 and name HB% ) 3.500 1.500 1.500 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.54491E-03 ppm1 8.395 ppm2 1.553 CV 1 OR { 1278} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HG12)) ASSI { 1279} (( segid " " and resid 42 and name HN )) ( segid " " and resid 38 and name HG2%) 3.000 1.200 1.200 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 8.395 ppm2 0.907 CV 1 OR { 1279} (( segid " " and resid 42 and name HN )) ( segid " " and resid 43 and name HD2%) OR { 1279} (( segid " " and resid 42 and name HN )) ( segid " " and resid 43 and name HD1%) ASSI { 1280} (( segid " " and resid 42 and name HN )) ( segid " " and resid 39 and name HG2%) 3.400 1.500 1.500 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.59557E-03 ppm1 8.395 ppm2 0.676 CV 1 ASSI { 1281} (( segid " " and resid 42 and name HN )) (( segid " " and resid 38 and name HN )) 3.800 3.800 2.200 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.33020E-03 ppm1 8.394 ppm2 7.271 CV 1 ASSI { 1282} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 2.400 0.700 0.700 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.51957E-02 ppm1 8.394 ppm2 7.629 CV 1 OR { 1282} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 1283} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HN )) 3.200 1.300 1.300 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.93161E-03 ppm1 8.394 ppm2 7.958 CV 1 OR { 1283} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HN )) ASSI { 1284} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB3 )) 2.900 1.100 1.100 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.14781E-02 ppm1 8.403 ppm2 1.425 CV 1 ASSI { 1285} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.22592E-02 ppm1 8.404 ppm2 2.372 CV 1 ASSI { 1286} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.200 1.200 1.200 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.94712E-03 ppm1 8.404 ppm2 4.364 CV 1 ASSI { 1287} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 2.700 0.900 0.900 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.21600E-02 ppm1 8.402 ppm2 7.858 CV 1 ASSI { 1288} (( segid " " and resid 114 and name HN )) ( segid " " and resid 136 and name HD1%) 3.100 1.200 1.200 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.11312E-02 ppm1 8.367 ppm2 0.824 CV 1 OR { 1288} (( segid " " and resid 114 and name HN )) ( segid " " and resid 133 and name HG2%) OR { 1288} (( segid " " and resid 114 and name HN )) ( segid " " and resid 129 and name HD2%) ASSI { 1289} (( segid " " and resid 114 and name HN )) ( segid " " and resid 133 and name HD1%) 2.800 1.000 1.000 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.19056E-02 ppm1 8.367 ppm2 0.617 CV 1 ASSI { 1290} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB3 )) 2.700 0.900 0.900 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.24257E-02 ppm1 8.367 ppm2 2.325 CV 1 ASSI { 1291} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HG2 )) 3.500 1.500 1.500 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.52991E-03 ppm1 8.369 ppm2 2.735 CV 1 OR { 1291} (( segid " " and resid 114 and name HN )) (( segid " " and resid 111 and name HB3 )) ASSI { 1292} (( segid " " and resid 114 and name HN )) (( segid " " and resid 111 and name HA )) 2.800 1.000 1.000 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.21135E-02 ppm1 8.365 ppm2 4.348 CV 1 OR { 1292} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) ASSI { 1293} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HN )) 2.800 1.000 1.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.18162E-02 ppm1 8.367 ppm2 7.791 CV 1 ASSI { 1294} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HN )) 2.700 0.900 0.900 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.21796E-02 ppm1 8.367 ppm2 7.304 CV 1 ASSI { 1295} (( segid " " and resid 87 and name HN )) (( segid " " and resid 85 and name HB3 )) 3.600 1.600 1.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.40765E-03 ppm1 8.353 ppm2 2.885 CV 1 ASSI { 1297} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HD3 )) 2.800 1.000 1.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.18374E-02 ppm1 8.353 ppm2 3.894 CV 1 ASSI { 1298} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HN )) 2.600 0.900 0.900 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.27514E-02 ppm1 8.347 ppm2 7.994 CV 1 ASSI { 1299} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.200 1.300 1.300 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.83856E-03 ppm1 8.258 ppm2 4.166 CV 1 ASSI { 1300} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB )) 2.700 0.900 0.900 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.26516E-02 ppm1 8.258 ppm2 1.978 CV 1 ASSI { 1301} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG13)) 3.500 1.600 1.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.48871E-03 ppm1 8.258 ppm2 1.615 CV 1 ASSI { 1302} (( segid " " and resid 68 and name HN )) ( segid " " and resid 67 and name HG2%) 3.000 1.100 1.100 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 8.258 ppm2 0.964 CV 1 ASSI { 1303} (( segid " " and resid 68 and name HN )) ( segid " " and resid 67 and name HD1%) 3.500 1.500 1.500 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.53974E-03 ppm1 8.258 ppm2 0.751 CV 1 ASSI { 1304} (( segid " " and resid 82 and name HN )) ( segid " " and resid 80 and name HD2%) 3.600 1.600 1.600 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.41059E-03 ppm1 8.189 ppm2 0.924 CV 1 OR { 1304} (( segid " " and resid 82 and name HN )) ( segid " " and resid 84 and name HG1%) ASSI { 1305} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA2 )) 2.300 2.300 3.700 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.56869E-02 ppm1 8.189 ppm2 3.797 CV 1 ASSI { 1306} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA1 )) 2.300 0.700 0.700 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.66433E-02 ppm1 8.189 ppm2 4.056 CV 1 ASSI { 1308} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 3.400 1.500 1.500 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.59712E-03 ppm1 8.258 ppm2 8.473 CV 1 ASSI { 1309} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HN )) 3.100 1.200 1.200 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.11146E-02 ppm1 8.189 ppm2 8.748 CV 1 ASSI { 1310} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB )) 2.800 1.000 1.000 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.20933E-02 ppm1 8.264 ppm2 4.311 CV 1 ASSI { 1311} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 2.900 1.100 1.100 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.15484E-02 ppm1 8.264 ppm2 7.737 CV 1 ASSI { 1312} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 2.900 1.000 1.000 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.16306E-02 ppm1 8.258 ppm2 7.576 CV 1 ASSI { 1314} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA2 )) 2.600 0.900 0.900 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.27514E-02 ppm1 8.253 ppm2 3.242 CV 1 OR { 1314} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA1 )) ASSI { 1315} (( segid " " and resid 93 and name HN )) (( segid " " and resid 153 and name HG3 )) 3.100 3.100 2.900 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.98228E-03 ppm1 8.318 ppm2 2.566 CV 1 OR { 1315} (( segid " " and resid 93 and name HN )) (( segid " " and resid 153 and name HG2 )) ASSI { 1316} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.700 0.900 0.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.22396E-02 ppm1 8.318 ppm2 3.009 CV 1 ASSI { 1317} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 2.600 0.800 0.800 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.31764E-02 ppm1 8.318 ppm2 4.109 CV 1 ASSI { 1319} (( segid " " and resid 93 and name HN )) (( segid " " and resid 97 and name HZ )) 3.700 3.700 2.300 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.34266E-03 ppm1 8.318 ppm2 7.213 CV 1 ASSI { 1320} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HA )) 3.700 1.700 1.700 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.36887E-03 ppm1 7.955 ppm2 4.464 CV 1 ASSI { 1321} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB )) 3.700 1.700 1.700 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.39002E-03 ppm1 7.955 ppm2 2.484 CV 1 ASSI { 1322} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.600 1.600 1.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.42584E-03 ppm1 7.955 ppm2 2.177 CV 1 OR { 1322} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HB3 )) ASSI { 1323} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HG )) 3.200 1.300 1.300 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.89026E-03 ppm1 7.955 ppm2 1.904 CV 1 ASSI { 1324} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HG12)) 3.300 1.400 1.400 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.70259E-03 ppm1 7.955 ppm2 1.569 CV 1 ASSI { 1325} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HG13)) 3.200 1.300 1.300 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.84579E-03 ppm1 7.955 ppm2 0.895 CV 1 ASSI { 1326} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 2.700 0.900 0.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.24092E-02 ppm1 7.955 ppm2 7.608 CV 1 ASSI { 1327} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HN )) 3.400 1.400 1.400 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.63383E-03 ppm1 7.955 ppm2 8.396 CV 1 ASSI { 1328} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB3 )) 3.500 1.600 1.600 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.46756E-03 ppm1 7.215 ppm2 2.170 CV 1 ASSI { 1329} (( segid " " and resid 36 and name HN )) (( segid " " and resid 33 and name HA )) 3.000 1.100 1.100 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.12894E-02 ppm1 7.215 ppm2 3.782 CV 1 ASSI { 1330} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.12842E-02 ppm1 7.215 ppm2 4.510 CV 1 OR { 1330} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HA )) ASSI { 1331} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 2.500 0.800 0.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.39048E-02 ppm1 7.215 ppm2 7.750 CV 1 ASSI { 1332} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) 3.300 1.400 1.400 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.67622E-03 ppm1 8.738 ppm2 4.513 CV 1 OR { 1332} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HA )) ASSI { 1333} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB )) 2.600 0.900 0.900 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.28745E-02 ppm1 8.738 ppm2 1.785 CV 1 ASSI { 1334} (( segid " " and resid 37 and name HN )) (( segid " " and resid 52 and name HG12)) 3.600 1.600 1.600 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.45521E-03 ppm1 8.738 ppm2 1.443 CV 1 OR { 1334} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HB )) OR { 1334} (( segid " " and resid 37 and name HN )) (( segid " " and resid 40 and name HB3 )) ASSI { 1335} (( segid " " and resid 37 and name HN )) ( segid " " and resid 52 and name HG2%) 2.600 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.33268E-02 ppm1 8.738 ppm2 0.877 CV 1 OR { 1335} (( segid " " and resid 37 and name HN )) ( segid " " and resid 36 and name HG2%) ASSI { 1336} (( segid " " and resid 37 and name HN )) ( segid " " and resid 52 and name HD1%) 3.000 1.100 1.100 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 8.738 ppm2 0.692 CV 1 OR { 1336} (( segid " " and resid 37 and name HN )) ( segid " " and resid 40 and name HD1%) ASSI { 1337} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HN )) 3.300 1.300 1.300 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.74343E-03 ppm1 8.738 ppm2 7.724 CV 1 OR { 1337} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 1338} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 2.500 0.800 0.800 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.37544E-02 ppm1 8.738 ppm2 7.265 CV 1 ASSI { 1339} (( segid " " and resid 38 and name HN )) ( segid " " and resid 52 and name HD1%) 3.400 1.500 1.500 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.58471E-03 ppm1 7.294 ppm2 0.674 CV 1 OR { 1339} (( segid " " and resid 38 and name HN )) ( segid " " and resid 40 and name HD1%) ASSI { 1340} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB3 )) 3.300 1.400 1.400 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.68191E-03 ppm1 7.293 ppm2 2.175 CV 1 OR { 1340} (( segid " " and resid 38 and name HN )) (( segid " " and resid 41 and name HB3 )) ASSI { 1341} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA2 )) 2.900 1.000 1.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.15789E-02 ppm1 7.293 ppm2 3.634 CV 1 ASSI { 1342} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.13659E-02 ppm1 7.293 ppm2 4.519 CV 1 ASSI { 1343} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 2.500 0.800 0.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.36091E-02 ppm1 7.293 ppm2 7.692 CV 1 ASSI { 1344} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HN )) 3.400 1.400 1.400 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.65192E-03 ppm1 7.293 ppm2 7.951 CV 1 ASSI { 1345} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 2.600 0.900 0.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.27080E-02 ppm1 7.708 ppm2 1.799 CV 1 ASSI { 1346} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HB3 )) 3.400 1.500 1.500 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.59402E-03 ppm1 7.708 ppm2 2.173 CV 1 OR { 1346} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 1347} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.000 1.100 1.100 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.12744E-02 ppm1 7.706 ppm2 3.843 CV 1 OR { 1347} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HA1 )) ASSI { 1348} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HA )) 3.600 1.600 1.600 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.43055E-03 ppm1 7.706 ppm2 4.528 CV 1 ASSI { 1350} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 2.700 0.900 0.900 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.26351E-02 ppm1 7.706 ppm2 7.952 CV 1 ASSI { 1351} (( segid " " and resid 40 and name HN )) ( segid " " and resid 36 and name HG2%) 3.000 1.100 1.100 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.12227E-02 ppm1 7.952 ppm2 0.870 CV 1 OR { 1351} (( segid " " and resid 40 and name HN )) ( segid " " and resid 43 and name HD2%) ASSI { 1352} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HB3 )) 3.400 1.500 1.500 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.55990E-03 ppm1 7.954 ppm2 2.183 CV 1 OR { 1352} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 1353} (( segid " " and resid 40 and name HN )) (( segid " " and resid 37 and name HA2 )) 3.600 1.600 1.600 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.44818E-03 ppm1 7.953 ppm2 3.630 CV 1 ASSI { 1354} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) 2.600 0.800 0.800 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.31438E-02 ppm1 7.953 ppm2 7.691 CV 1 OR { 1354} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 1355} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HN )) 3.600 1.600 1.600 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.46110E-03 ppm1 7.953 ppm2 7.276 CV 1 ASSI { 1356} (( segid " " and resid 40 and name HN )) (( segid " " and resid 42 and name HN )) 3.700 1.700 1.700 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.34307E-03 ppm1 7.953 ppm2 8.374 CV 1 ASSI { 1357} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB3 )) 3.000 1.100 1.100 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 7.667 ppm2 1.430 CV 1 OR { 1357} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB )) ASSI { 1358} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HD1%) 3.300 1.400 1.400 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.70931E-03 ppm1 7.667 ppm2 0.651 CV 1 ASSI { 1359} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.900 1.100 1.100 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.15391E-02 ppm1 7.667 ppm2 1.772 CV 1 ASSI { 1360} (( segid " " and resid 41 and name HN )) ( segid " " and resid 38 and name HG2%) 3.300 1.300 1.300 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.79203E-03 ppm1 7.667 ppm2 0.917 CV 1 OR { 1360} (( segid " " and resid 41 and name HN )) ( segid " " and resid 43 and name HD2%) OR { 1360} (( segid " " and resid 41 and name HN )) (( segid " " and resid 45 and name HG13)) OR { 1360} (( segid " " and resid 41 and name HN )) ( segid " " and resid 36 and name HG2%) ASSI { 1361} (( segid " " and resid 41 and name HN )) (( segid " " and resid 38 and name HN )) 3.700 1.700 1.700 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.39234E-03 ppm1 7.667 ppm2 7.330 CV 1 ASSI { 1362} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HN )) 2.700 0.900 0.900 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.23590E-02 ppm1 7.667 ppm2 7.954 CV 1 ASSI { 1363} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 2.700 0.900 0.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.22231E-02 ppm1 7.667 ppm2 8.391 CV 1 ASSI { 1364} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HB3 )) 2.800 2.800 3.200 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.19785E-02 ppm1 7.751 ppm2 2.656 CV 1 ASSI { 1365} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HA )) 3.700 1.700 1.700 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.36825E-03 ppm1 7.751 ppm2 3.452 CV 1 ASSI { 1366} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 3.000 1.100 1.100 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.13292E-02 ppm1 7.751 ppm2 4.194 CV 1 ASSI { 1367} (( segid " " and resid 58 and name HN )) (( segid " " and resid 55 and name HA )) 3.100 1.200 1.200 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.10867E-02 ppm1 7.751 ppm2 4.376 CV 1 ASSI { 1368} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 2.700 0.900 0.900 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.22629E-02 ppm1 7.751 ppm2 8.416 CV 1 ASSI { 1369} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB3 )) 2.500 0.800 0.800 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.38299E-02 ppm1 7.305 ppm2 1.961 CV 1 ASSI { 1370} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG3 )) 3.200 1.300 1.300 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.92438E-03 ppm1 7.305 ppm2 1.532 CV 1 ASSI { 1371} (( segid " " and resid 115 and name HN )) ( segid " " and resid 129 and name HD2%) 3.400 1.400 1.400 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.64520E-03 ppm1 7.305 ppm2 0.833 CV 1 OR { 1371} (( segid " " and resid 115 and name HN )) ( segid " " and resid 136 and name HD1%) OR { 1371} (( segid " " and resid 115 and name HN )) ( segid " " and resid 117 and name HD1%) OR { 1371} (( segid " " and resid 115 and name HN )) ( segid " " and resid 133 and name HG2%) ASSI { 1372} (( segid " " and resid 115 and name HN )) ( segid " " and resid 133 and name HD1%) 3.400 1.500 1.500 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.57231E-03 ppm1 7.305 ppm2 0.595 CV 1 OR { 1372} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HG12)) ASSI { 1373} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.800 1.000 1.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.20736E-02 ppm1 7.305 ppm2 3.732 CV 1 ASSI { 1374} (( segid " " and resid 115 and name HN )) (( segid " " and resid 111 and name HA )) 3.400 1.400 1.400 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.65761E-03 ppm1 7.305 ppm2 4.352 CV 1 ASSI { 1375} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HN )) 2.600 0.800 0.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.33129E-02 ppm1 7.305 ppm2 7.952 CV 1 ASSI { 1378} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 2.300 2.300 3.700 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.61677E-02 ppm1 8.030 ppm2 4.470 CV 1 ASSI { 1379} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG12)) 3.400 1.500 1.500 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.56817E-03 ppm1 8.029 ppm2 1.522 CV 1 ASSI { 1380} (( segid " " and resid 46 and name HN )) ( segid " " and resid 55 and name HD1%) 3.800 1.800 1.800 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.31774E-03 ppm1 8.029 ppm2 1.174 CV 1 ASSI { 1381} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HG2%) 2.900 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.14290E-02 ppm1 8.029 ppm2 0.747 CV 1 OR { 1381} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HD1%) OR { 1381} (( segid " " and resid 46 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 1382} (( segid " " and resid 46 and name HE22)) (( segid " " and resid 45 and name HA )) 3.800 1.800 1.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.29654E-03 ppm1 6.566 ppm2 4.495 CV 1 ASSI { 1383} (( segid " " and resid 46 and name HE22)) ( segid " " and resid 79 and name HD% ) 3.500 1.500 1.500 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.52061E-03 ppm1 6.566 ppm2 7.184 CV 1 OR { 1383} (( segid " " and resid 46 and name HE22)) (( segid " " and resid 79 and name HZ )) ASSI { 1384} (( segid " " and resid 46 and name HE22)) (( segid " " and resid 79 and name HB2 )) 3.800 1.800 1.800 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.32937E-03 ppm1 6.566 ppm2 3.318 CV 1 ASSI { 1385} (( segid " " and resid 46 and name HE22)) ( segid " " and resid 45 and name HG2%) 3.500 1.500 1.500 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.50515E-03 ppm1 6.566 ppm2 0.737 CV 1 OR { 1385} (( segid " " and resid 46 and name HE22)) ( segid " " and resid 75 and name HG2%) OR { 1385} (( segid " " and resid 46 and name HE22)) ( segid " " and resid 52 and name HD1%) ASSI { 1386} (( segid " " and resid 46 and name HE22)) ( segid " " and resid 55 and name HD1%) 3.200 1.200 1.200 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.94919E-03 ppm1 6.566 ppm2 1.182 CV 1 ASSI { 1387} (( segid " " and resid 46 and name HE22)) (( segid " " and resid 45 and name HB )) 3.300 1.400 1.400 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.73206E-03 ppm1 6.566 ppm2 1.808 CV 1 ASSI { 1388} (( segid " " and resid 46 and name HE22)) (( segid " " and resid 47 and name HG2 )) 3.000 3.000 3.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.13323E-02 ppm1 6.566 ppm2 2.162 CV 1 OR { 1388} (( segid " " and resid 46 and name HE22)) (( segid " " and resid 47 and name HG3 )) ASSI { 1389} (( segid " " and resid 46 and name HE21)) ( segid " " and resid 79 and name HD% ) 3.700 1.700 1.700 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.39002E-03 ppm1 6.355 ppm2 7.174 CV 1 ASSI { 1390} (( segid " " and resid 46 and name HE21)) (( segid " " and resid 45 and name HA )) 3.700 1.700 1.700 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.38826E-03 ppm1 6.355 ppm2 4.495 CV 1 ASSI { 1391} (( segid " " and resid 46 and name HE21)) (( segid " " and resid 79 and name HB2 )) 3.800 1.800 1.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.30239E-03 ppm1 6.355 ppm2 3.313 CV 1 ASSI { 1392} (( segid " " and resid 46 and name HE21)) (( segid " " and resid 47 and name HG2 )) 2.900 2.900 3.100 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.15365E-02 ppm1 6.355 ppm2 2.160 CV 1 OR { 1392} (( segid " " and resid 46 and name HE21)) (( segid " " and resid 47 and name HG3 )) ASSI { 1393} (( segid " " and resid 46 and name HE21)) (( segid " " and resid 45 and name HB )) 3.300 1.300 1.300 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.74343E-03 ppm1 6.356 ppm2 1.798 CV 1 ASSI { 1394} (( segid " " and resid 46 and name HE21)) ( segid " " and resid 55 and name HD1%) 3.000 1.200 1.200 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.11730E-02 ppm1 6.355 ppm2 1.177 CV 1 ASSI { 1395} (( segid " " and resid 46 and name HE21)) ( segid " " and resid 45 and name HG2%) 3.500 1.500 1.500 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.51099E-03 ppm1 6.355 ppm2 0.739 CV 1 OR { 1395} (( segid " " and resid 46 and name HE21)) ( segid " " and resid 75 and name HG2%) OR { 1395} (( segid " " and resid 46 and name HE21)) ( segid " " and resid 52 and name HD1%) ASSI { 1396} (( segid " " and resid 46 and name HE21)) ( segid " " and resid 40 and name HD2%) 3.800 1.800 1.800 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.31650E-03 ppm1 6.355 ppm2 0.548 CV 1 ASSI { 1397} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 2.500 0.800 0.800 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.41400E-02 ppm1 8.794 ppm2 4.263 CV 1 ASSI { 1398} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB )) 2.500 2.500 3.500 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.42269E-02 ppm1 8.794 ppm2 4.748 CV 1 ASSI { 1399} (( segid " " and resid 49 and name HN )) ( segid " " and resid 48 and name HG2%) 3.100 1.200 1.200 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.11146E-02 ppm1 8.794 ppm2 1.309 CV 1 ASSI { 1400} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HB3 )) 3.100 1.200 1.200 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.10335E-02 ppm1 8.743 ppm2 1.825 CV 1 OR { 1400} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HB2 )) OR { 1400} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HG3 )) ASSI { 1401} (( segid " " and resid 60 and name HN )) ( segid " " and resid 33 and name HG2%) 3.500 1.500 1.500 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.54749E-03 ppm1 8.743 ppm2 1.249 CV 1 ASSI { 1402} (( segid " " and resid 60 and name HN )) ( segid " " and resid 67 and name HG2%) 3.100 1.200 1.200 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.11565E-02 ppm1 8.743 ppm2 0.989 CV 1 ASSI { 1403} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB3 )) 2.900 1.100 1.100 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.15179E-02 ppm1 8.743 ppm2 2.703 CV 1 ASSI { 1404} (( segid " " and resid 60 and name HN )) (( segid " " and resid 56 and name HA )) 3.000 1.100 1.100 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.13938E-02 ppm1 8.743 ppm2 3.455 CV 1 ASSI { 1405} (( segid " " and resid 60 and name HN )) (( segid " " and resid 57 and name HA )) 3.200 1.300 1.300 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.83028E-03 ppm1 8.743 ppm2 4.225 CV 1 ASSI { 1406} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.900 1.100 1.100 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.14253E-02 ppm1 8.743 ppm2 4.514 CV 1 ASSI { 1407} (( segid " " and resid 60 and name HN )) ( segid " " and resid 59 and name HD% ) 3.200 1.300 1.300 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.85303E-03 ppm1 8.743 ppm2 7.568 CV 1 ASSI { 1408} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HN )) 3.300 1.300 1.300 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.75997E-03 ppm1 8.743 ppm2 7.761 CV 1 ASSI { 1409} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 2.400 0.700 0.700 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.55111E-02 ppm1 8.743 ppm2 8.417 CV 1 ASSI { 1410} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.22830E-02 ppm1 8.407 ppm2 7.744 CV 1 ASSI { 1411} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HD% ) 2.700 0.900 0.900 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.23461E-02 ppm1 8.407 ppm2 7.583 CV 1 ASSI { 1412} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HE% ) 3.500 1.500 1.500 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.49104E-03 ppm1 8.407 ppm2 7.217 CV 1 ASSI { 1413} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HA )) 3.800 1.800 1.800 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.31278E-03 ppm1 8.407 ppm2 4.186 CV 1 OR { 1413} (( segid " " and resid 59 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 1414} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 3.200 1.300 1.300 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.85613E-03 ppm1 8.407 ppm2 3.785 CV 1 ASSI { 1415} (( segid " " and resid 59 and name HN )) (( segid " " and resid 56 and name HA )) 3.300 1.400 1.400 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.68604E-03 ppm1 8.407 ppm2 3.467 CV 1 ASSI { 1416} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.500 1.500 1.500 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.53974E-03 ppm1 8.407 ppm2 3.041 CV 1 ASSI { 1417} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB3 )) 2.600 0.800 0.800 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.33036E-02 ppm1 8.407 ppm2 1.839 CV 1 ASSI { 1418} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HG2 )) 3.300 1.400 1.400 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.72172E-03 ppm1 8.407 ppm2 0.707 CV 1 ASSI { 1419} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HN )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.33268E-02 ppm1 7.746 ppm2 8.277 CV 1 ASSI { 1420} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HN )) 3.400 1.400 1.400 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.60643E-03 ppm1 7.746 ppm2 8.654 CV 1 ASSI { 1421} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.300 0.700 0.700 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.56404E-02 ppm1 7.739 ppm2 8.391 CV 1 OR { 1421} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HN )) ASSI { 1423} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 2.900 1.100 1.100 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.15623E-02 ppm1 7.739 ppm2 3.821 CV 1 ASSI { 1424} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA )) 3.500 1.600 1.600 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.48928E-03 ppm1 7.739 ppm2 3.525 CV 1 ASSI { 1426} (( segid " " and resid 18 and name HN )) ( segid " " and resid 17 and name HG2%) 2.700 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.22127E-02 ppm1 7.739 ppm2 1.265 CV 1 ASSI { 1427} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB )) 2.800 1.000 1.000 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.19527E-02 ppm1 7.196 ppm2 1.909 CV 1 ASSI { 1428} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HA1 )) 3.100 3.100 2.900 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.10950E-02 ppm1 7.196 ppm2 3.277 CV 1 OR { 1428} (( segid " " and resid 75 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 1429} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.100 1.200 1.200 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.10417E-02 ppm1 7.196 ppm2 3.764 CV 1 ASSI { 1430} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HN )) 2.800 1.000 1.000 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.20204E-02 ppm1 7.196 ppm2 6.856 CV 1 ASSI { 1431} (( segid " " and resid 75 and name HN )) (( segid " " and resid 77 and name HN )) 3.300 1.400 1.400 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.67364E-03 ppm1 7.196 ppm2 8.260 CV 1 OR { 1431} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HN )) ASSI { 1432} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.900 1.000 1.000 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.16425E-02 ppm1 7.196 ppm2 8.475 CV 1 ASSI { 1433} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG2 )) 2.800 1.000 1.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.19687E-02 ppm1 8.819 ppm2 1.302 CV 1 OR { 1433} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG3 )) ASSI { 1434} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB3 )) 3.200 1.300 1.300 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.81994E-03 ppm1 8.819 ppm2 1.747 CV 1 ASSI { 1435} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.600 1.600 1.600 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.42703E-03 ppm1 8.819 ppm2 2.171 CV 1 ASSI { 1436} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HD2 )) 3.100 1.200 1.200 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.10965E-02 ppm1 8.819 ppm2 3.576 CV 1 ASSI { 1437} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HA1 )) 3.300 1.400 1.400 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.68036E-03 ppm1 8.819 ppm2 3.787 CV 1 OR { 1437} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HA2 )) ASSI { 1438} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.18632E-02 ppm1 8.819 ppm2 4.732 CV 1 ASSI { 1439} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 3.300 1.400 1.400 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.73051E-03 ppm1 8.819 ppm2 4.304 CV 1 ASSI { 1440} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HD% ) 3.200 1.300 1.300 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.87061E-03 ppm1 8.820 ppm2 7.327 CV 1 ASSI { 1441} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB3 )) 3.200 1.200 1.200 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.93989E-03 ppm1 7.857 ppm2 3.008 CV 1 OR { 1441} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI { 1442} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.700 1.700 1.700 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.38707E-03 ppm1 7.857 ppm2 3.436 CV 1 ASSI { 1443} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA1 )) 2.300 0.700 0.700 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.55938E-02 ppm1 7.857 ppm2 3.823 CV 1 OR { 1443} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA2 )) ASSI { 1446} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HG3 )) 3.900 1.900 1.900 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.24759E-03 ppm1 7.857 ppm2 1.290 CV 1 OR { 1446} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HG2 )) ASSI { 1447} (( segid " " and resid 64 and name HN )) ( segid " " and resid 33 and name HG2%) 3.900 1.900 1.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.25519E-03 ppm1 10.380 ppm2 1.192 CV 1 ASSI { 1448} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA1 )) 2.600 0.900 0.900 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.28145E-02 ppm1 10.377 ppm2 3.790 CV 1 OR { 1448} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA2 )) ASSI { 1449} (( segid " " and resid 65 and name HN )) ( segid " " and resid 33 and name HG2%) 3.800 1.900 1.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.28739E-03 ppm1 10.902 ppm2 1.185 CV 1 ASSI { 1450} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.10102E-02 ppm1 10.902 ppm2 2.983 CV 1 ASSI { 1451} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 3.500 1.600 1.600 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.47108E-03 ppm1 10.902 ppm2 4.535 CV 1 ASSI { 1452} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 2.600 0.900 0.900 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.27876E-02 ppm1 8.754 ppm2 2.591 CV 1 ASSI { 1453} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB3 )) 2.700 0.900 0.900 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.23259E-02 ppm1 8.754 ppm2 2.749 CV 1 ASSI { 1454} (( segid " " and resid 67 and name HN )) (( segid " " and resid 33 and name HA )) 3.800 1.800 1.800 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.30611E-03 ppm1 8.754 ppm2 3.779 CV 1 ASSI { 1455} (( segid " " and resid 67 and name HN )) (( segid " " and resid 31 and name HA )) 3.900 1.900 1.900 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.27080E-03 ppm1 8.754 ppm2 4.330 CV 1 ASSI { 1456} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HB2 )) 2.800 2.800 3.200 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.19971E-02 ppm1 8.188 ppm2 2.672 CV 1 ASSI { 1457} (( segid " " and resid 71 and name HN )) (( segid " " and resid 67 and name HB )) 3.700 1.700 1.700 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.38707E-03 ppm1 8.188 ppm2 1.956 CV 1 ASSI { 1458} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HG13)) 3.400 1.400 1.400 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.65554E-03 ppm1 8.188 ppm2 0.973 CV 1 OR { 1458} (( segid " " and resid 71 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 1458} (( segid " " and resid 71 and name HN )) ( segid " " and resid 67 and name HG2%) ASSI { 1459} (( segid " " and resid 71 and name HN )) ( segid " " and resid 67 and name HD1%) 3.800 1.800 1.800 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.31195E-03 ppm1 8.188 ppm2 0.762 CV 1 ASSI { 1461} (( segid " " and resid 72 and name HN )) ( segid " " and resid 67 and name HD1%) 2.900 1.000 1.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.16445E-02 ppm1 8.141 ppm2 0.760 CV 1 ASSI { 1462} (( segid " " and resid 72 and name HN )) (( segid " " and resid 75 and name HG13)) 3.100 1.200 1.200 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.95746E-03 ppm1 8.141 ppm2 0.954 CV 1 OR { 1462} (( segid " " and resid 72 and name HN )) ( segid " " and resid 67 and name HG2%) OR { 1462} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HG13)) ASSI { 1463} (( segid " " and resid 72 and name HN )) (( segid " " and resid 75 and name HB )) 3.500 1.500 1.500 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.50396E-03 ppm1 8.141 ppm2 1.523 CV 1 ASSI { 1464} (( segid " " and resid 72 and name HN )) (( segid " " and resid 67 and name HB )) 3.400 1.500 1.500 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.56042E-03 ppm1 8.141 ppm2 1.970 CV 1 ASSI { 1465} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.400 1.400 1.400 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.60126E-03 ppm1 8.141 ppm2 2.644 CV 1 OR { 1465} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HB2 )) ASSI { 1466} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HA )) 2.700 0.900 0.900 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.23327E-02 ppm1 8.141 ppm2 3.528 CV 1 ASSI { 1467} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.17950E-02 ppm1 8.141 ppm2 4.155 CV 1 ASSI { 1469} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HN )) 3.600 1.600 1.600 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.44875E-03 ppm1 8.141 ppm2 8.513 CV 1 OR { 1469} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HN )) ASSI { 1471} (( segid " " and resid 72 and name HN )) ( segid " " and resid 69 and name HD% ) 3.400 1.400 1.400 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.63383E-03 ppm1 8.141 ppm2 6.488 CV 1 ASSI { 1472} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.000 1.100 1.100 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.14088E-02 ppm1 6.856 ppm2 1.434 CV 1 ASSI { 1473} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG12)) 2.600 0.900 0.900 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.28341E-02 ppm1 6.856 ppm2 1.772 CV 1 ASSI { 1474} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HA )) 3.100 1.200 1.200 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.96212E-03 ppm1 6.856 ppm2 4.045 CV 1 ASSI { 1475} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 2.800 1.000 1.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.17578E-02 ppm1 6.856 ppm2 8.258 CV 1 ASSI { 1476} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 2.800 1.000 1.000 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.18394E-02 ppm1 8.479 ppm2 8.252 CV 1 ASSI { 1477} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HA )) 3.400 1.500 1.500 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.57127E-03 ppm1 8.479 ppm2 3.768 CV 1 ASSI { 1478} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HG2%) 2.600 0.900 0.900 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.27049E-02 ppm1 8.479 ppm2 0.709 CV 1 OR { 1478} (( segid " " and resid 76 and name HN )) ( segid " " and resid 15 and name HD2%) OR { 1478} (( segid " " and resid 76 and name HN )) ( segid " " and resid 15 and name HD1%) ASSI { 1479} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG13)) 3.300 1.400 1.400 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.71706E-03 ppm1 8.479 ppm2 0.963 CV 1 OR { 1479} (( segid " " and resid 76 and name HN )) ( segid " " and resid 74 and name HG2%) OR { 1479} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HG2 )) ASSI { 1480} (( segid " " and resid 76 and name HN )) ( segid " " and resid 55 and name HD1%) 3.600 3.600 2.400 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.41349E-03 ppm1 8.479 ppm2 1.184 CV 1 ASSI { 1481} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB )) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.23859E-02 ppm1 8.479 ppm2 1.547 CV 1 ASSI { 1482} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HB% ) 2.700 0.900 0.900 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.24123E-02 ppm1 7.560 ppm2 1.220 CV 1 ASSI { 1483} (( segid " " and resid 78 and name HN )) ( segid " " and resid 75 and name HG2%) 3.200 1.300 1.300 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.88198E-03 ppm1 7.560 ppm2 0.708 CV 1 OR { 1483} (( segid " " and resid 22 and name HN )) ( segid " " and resid 39 and name HG2%) OR { 1483} (( segid " " and resid 78 and name HN )) ( segid " " and resid 7 and name HD2%) OR { 1483} (( segid " " and resid 78 and name HN )) ( segid " " and resid 80 and name HD1%) OR { 1483} (( segid " " and resid 78 and name HN )) ( segid " " and resid 15 and name HD1%) ASSI { 1485} (( segid " " and resid 78 and name HE )) (( segid " " and resid 78 and name HA )) 3.700 1.700 1.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.36592E-03 ppm1 6.864 ppm2 3.677 CV 1 OR { 1485} (( segid " " and resid 78 and name HE )) (( segid " " and resid 2 and name HA2 )) ASSI { 1486} (( segid " " and resid 78 and name HE )) (( segid " " and resid 78 and name HD3 )) 3.000 1.100 1.100 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 6.864 ppm2 2.963 CV 1 ASSI { 1487} (( segid " " and resid 78 and name HE )) (( segid " " and resid 78 and name HD2 )) 3.100 1.200 1.200 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.10665E-02 ppm1 6.864 ppm2 2.492 CV 1 ASSI { 1489} (( segid " " and resid 78 and name HE )) (( segid " " and resid 78 and name HG2 )) 2.700 0.900 0.900 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.23823E-02 ppm1 6.864 ppm2 0.972 CV 1 ASSI { 1490} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HD1%) 3.000 1.100 1.100 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.14124E-02 ppm1 8.193 ppm2 0.731 CV 1 ASSI { 1491} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HD2%) 2.900 2.900 3.100 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 8.193 ppm2 0.920 CV 1 ASSI { 1492} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB3 )) 2.900 1.000 1.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.16869E-02 ppm1 8.193 ppm2 1.474 CV 1 ASSI { 1493} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HG )) 3.200 1.300 1.300 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.85148E-03 ppm1 8.193 ppm2 1.770 CV 1 OR { 1493} (( segid " " and resid 81 and name HN )) (( segid " " and resid 7 and name HG )) ASSI { 1494} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 2.300 2.300 3.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.71810E-02 ppm1 8.193 ppm2 4.278 CV 1 ASSI { 1495} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HA )) 3.600 1.600 1.600 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.44347E-03 ppm1 8.193 ppm2 4.818 CV 1 ASSI { 1496} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HN )) 2.800 1.000 1.000 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.19454E-02 ppm1 8.193 ppm2 8.422 CV 1 ASSI { 1497} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HN )) 3.500 1.500 1.500 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.52061E-03 ppm1 8.193 ppm2 6.985 CV 1 OR { 1497} (( segid " " and resid 81 and name HN )) (( segid " " and resid 11 and name HE21)) ASSI { 1498} (( segid " " and resid 81 and name HN )) (( segid " " and resid 11 and name HE22)) 4.000 2.000 2.000 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.23466E-03 ppm1 8.193 ppm2 7.570 CV 1 ASSI { 1499} (( segid " " and resid 83 and name HN )) ( segid " " and resid 84 and name HG1%) 3.600 1.700 1.700 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.40413E-03 ppm1 8.750 ppm2 0.926 CV 1 OR { 1499} (( segid " " and resid 83 and name HN )) ( segid " " and resid 84 and name HG2%) ASSI { 1500} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HA1 )) 3.600 1.600 1.600 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.46581E-03 ppm1 8.749 ppm2 4.062 CV 1 ASSI { 1502} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HN )) 2.900 1.100 1.100 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.14455E-02 ppm1 8.751 ppm2 8.313 CV 1 ASSI { 1503} (( segid " " and resid 83 and name HN )) (( segid " " and resid 11 and name HE22)) 3.800 1.800 1.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.30942E-03 ppm1 8.750 ppm2 7.574 CV 1 ASSI { 1504} (( segid " " and resid 83 and name HN )) (( segid " " and resid 11 and name HE21)) 3.400 1.500 1.500 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.59712E-03 ppm1 8.750 ppm2 6.963 CV 1 ASSI { 1505} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HG2 )) 3.000 1.100 1.100 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.12278E-02 ppm1 8.312 ppm2 2.239 CV 1 OR { 1505} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HG3 )) ASSI { 1506} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 2.100 0.500 0.500 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.11637E-01 ppm1 8.312 ppm2 4.319 CV 1 ASSI { 1508} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HN )) 2.900 1.000 1.000 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.15908E-02 ppm1 8.311 ppm2 8.731 CV 1 OR { 1508} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HN )) ASSI { 1510} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB )) 2.700 2.700 3.300 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.22727E-02 ppm1 8.697 ppm2 2.027 CV 1 OR { 1510} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HB2 )) ASSI { 1511} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HG2%) 2.600 0.900 0.900 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.29417E-02 ppm1 8.697 ppm2 0.918 CV 1 OR { 1511} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HG1%) ASSI { 1513} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HA )) 3.300 1.400 1.400 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.71913E-03 ppm1 8.697 ppm2 4.324 CV 1 ASSI { 1514} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.000 0.500 0.500 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.13778E-01 ppm1 8.697 ppm2 4.093 CV 1 ASSI { 1515} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HD2 )) 3.000 3.000 3.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.12459E-02 ppm1 8.697 ppm2 3.889 CV 1 ASSI { 1517} (( segid " " and resid 85 and name HD21)) (( segid " " and resid 85 and name HB2 )) 2.900 1.100 1.100 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.14440E-02 ppm1 7.738 ppm2 2.974 CV 1 ASSI { 1518} (( segid " " and resid 85 and name HD21)) (( segid " " and resid 85 and name HB3 )) 2.900 1.000 1.000 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.16544E-02 ppm1 7.738 ppm2 2.876 CV 1 ASSI { 1519} (( segid " " and resid 85 and name HD21)) (( segid " " and resid 86 and name HB2 )) 4.000 2.000 2.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.24024E-03 ppm1 7.738 ppm2 2.371 CV 1 OR { 1519} (( segid " " and resid 85 and name HD21)) (( segid " " and resid 89 and name HG3 )) ASSI { 1520} (( segid " " and resid 85 and name HD21)) (( segid " " and resid 86 and name HG3 )) 3.400 3.400 2.600 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.58575E-03 ppm1 7.738 ppm2 2.125 CV 1 ASSI { 1522} (( segid " " and resid 85 and name HD22)) (( segid " " and resid 87 and name HA )) 4.000 2.000 2.000 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.23228E-03 ppm1 7.085 ppm2 4.165 CV 1 ASSI { 1523} (( segid " " and resid 85 and name HD22)) (( segid " " and resid 85 and name HB3 )) 3.200 1.300 1.300 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.85303E-03 ppm1 7.085 ppm2 2.869 CV 1 ASSI { 1524} (( segid " " and resid 85 and name HD22)) (( segid " " and resid 86 and name HB2 )) 3.800 3.800 2.200 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.33268E-03 ppm1 7.085 ppm2 2.381 CV 1 ASSI { 1525} (( segid " " and resid 85 and name HD22)) (( segid " " and resid 86 and name HG2 )) 3.300 1.300 1.300 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.74860E-03 ppm1 7.085 ppm2 2.088 CV 1 ASSI { 1526} (( segid " " and resid 79 and name HN )) (( segid " " and resid 45 and name HB )) 3.300 1.400 1.400 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.72120E-03 ppm1 7.003 ppm2 1.778 CV 1 OR { 1526} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HG )) ASSI { 1527} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB3 )) 2.900 2.900 3.100 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.16704E-02 ppm1 7.003 ppm2 1.438 CV 1 ASSI { 1528} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG2 )) 2.900 1.000 1.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 7.004 ppm2 1.020 CV 1 ASSI { 1529} (( segid " " and resid 79 and name HN )) ( segid " " and resid 80 and name HD1%) 3.000 1.100 1.100 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.13721E-02 ppm1 7.003 ppm2 0.738 CV 1 ASSI { 1530} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HA )) 3.600 1.600 1.600 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.41468E-03 ppm1 7.003 ppm2 2.981 CV 1 OR { 1530} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HD3 )) ASSI { 1531} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 3.200 1.300 1.300 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.84476E-03 ppm1 7.003 ppm2 3.687 CV 1 ASSI { 1532} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HA )) 3.400 1.500 1.500 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.56559E-03 ppm1 7.003 ppm2 3.900 CV 1 ASSI { 1533} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HA )) 3.700 1.700 1.700 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.36825E-03 ppm1 7.003 ppm2 4.273 CV 1 ASSI { 1534} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 2.700 0.900 0.900 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.26749E-02 ppm1 7.003 ppm2 7.576 CV 1 ASSI { 1535} (( segid " " and resid 79 and name HN )) (( segid " " and resid 81 and name HN )) 3.300 1.400 1.400 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.72482E-03 ppm1 7.003 ppm2 8.199 CV 1 ASSI { 1536} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 2.400 0.700 0.700 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.50375E-02 ppm1 7.003 ppm2 8.399 CV 1 ASSI { 1537} (( segid " " and resid 79 and name HN )) ( segid " " and resid 79 and name HD% ) 2.700 0.900 0.900 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.22830E-02 ppm1 7.003 ppm2 7.228 CV 1 ASSI { 1538} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 3.000 1.100 1.100 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.14057E-02 ppm1 8.693 ppm2 8.314 CV 1 ASSI { 1539} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HN )) 2.600 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.29370E-02 ppm1 7.831 ppm2 7.375 CV 1 ASSI { 1540} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HN )) 2.700 0.900 0.900 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.24490E-02 ppm1 7.831 ppm2 8.473 CV 1 ASSI { 1541} (( segid " " and resid 98 and name HN )) ( segid " " and resid 97 and name HD% ) 3.200 1.200 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.93989E-03 ppm1 7.831 ppm2 6.338 CV 1 ASSI { 1542} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HA )) 2.700 2.700 3.300 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.22696E-02 ppm1 7.831 ppm2 4.091 CV 1 ASSI { 1543} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) 3.100 1.200 1.200 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.98331E-03 ppm1 7.831 ppm2 3.641 CV 1 ASSI { 1544} (( segid " " and resid 98 and name HN )) (( segid " " and resid 101 and name HB3 )) 3.600 1.600 1.600 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.42993E-03 ppm1 7.832 ppm2 2.379 CV 1 ASSI { 1545} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HB2 )) 3.500 1.600 1.600 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.48871E-03 ppm1 7.832 ppm2 2.127 CV 1 OR { 1545} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HB3 )) ASSI { 1546} (( segid " " and resid 100 and name HN )) ( segid " " and resid 96 and name HB% ) 3.500 1.500 1.500 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.52940E-03 ppm1 7.315 ppm2 1.810 CV 1 OR { 1546} (( segid " " and resid 100 and name HN )) (( segid " " and resid 108 and name HB )) ASSI { 1547} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB3 )) 2.700 0.900 0.900 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.24986E-02 ppm1 7.315 ppm2 1.542 CV 1 ASSI { 1548} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 2.900 1.100 1.100 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.15391E-02 ppm1 7.315 ppm2 1.228 CV 1 ASSI { 1549} (( segid " " and resid 100 and name HN )) ( segid " " and resid 108 and name HD1%) 3.300 3.300 2.700 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.66278E-03 ppm1 7.315 ppm2 0.656 CV 1 ASSI { 1550} (( segid " " and resid 100 and name HN )) ( segid " " and resid 108 and name HG2%) 3.400 1.500 1.500 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.56404E-03 ppm1 7.315 ppm2 0.447 CV 1 ASSI { 1551} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HA )) 3.700 1.700 1.700 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.35636E-03 ppm1 7.315 ppm2 4.669 CV 1 ASSI { 1553} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 2.900 1.000 1.000 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 7.315 ppm2 3.880 CV 1 OR { 1553} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HA )) ASSI { 1554} (( segid " " and resid 100 and name HN )) (( segid " " and resid 97 and name HA )) 3.200 1.300 1.300 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.83752E-03 ppm1 7.315 ppm2 3.633 CV 1 OR { 1554} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HA )) ASSI { 1555} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HE% ) 3.800 1.800 1.800 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.33020E-03 ppm1 7.315 ppm2 6.806 CV 1 ASSI { 1556} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HD% ) 2.700 0.900 0.900 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.22996E-02 ppm1 7.315 ppm2 7.013 CV 1 ASSI { 1558} (( segid " " and resid 135 and name HN )) (( segid " " and resid 136 and name HB )) 3.400 1.500 1.500 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.59661E-03 ppm1 7.267 ppm2 1.657 CV 1 ASSI { 1559} (( segid " " and resid 135 and name HN )) ( segid " " and resid 133 and name HG2%) 3.300 1.400 1.400 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.67881E-03 ppm1 7.266 ppm2 0.873 CV 1 ASSI { 1560} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB3 )) 2.700 0.900 0.900 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.25555E-02 ppm1 7.266 ppm2 2.702 CV 1 ASSI { 1561} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 3.100 1.200 1.200 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.97969E-03 ppm1 7.266 ppm2 4.356 CV 1 ASSI { 1562} (( segid " " and resid 135 and name HN )) (( segid " " and resid 136 and name HN )) 2.600 0.900 0.900 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.28445E-02 ppm1 7.266 ppm2 8.320 CV 1 ASSI { 1563} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HG2 )) 3.400 3.400 2.600 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.61315E-03 ppm1 7.871 ppm2 1.852 CV 1 ASSI { 1564} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB3 )) 3.000 1.100 1.100 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.12196E-02 ppm1 7.872 ppm2 2.953 CV 1 ASSI { 1565} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 3.100 1.200 1.200 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.10500E-02 ppm1 7.871 ppm2 4.408 CV 1 ASSI { 1566} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HA )) 2.800 1.000 1.000 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.21098E-02 ppm1 7.871 ppm2 3.852 CV 1 ASSI { 1567} (( segid " " and resid 101 and name HN )) (( segid " " and resid 97 and name HA )) 3.600 1.600 1.600 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.43231E-03 ppm1 7.871 ppm2 3.655 CV 1 ASSI { 1568} (( segid " " and resid 101 and name HN )) ( segid " " and resid 100 and name HD% ) 3.400 1.400 1.400 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.63383E-03 ppm1 7.871 ppm2 7.007 CV 1 ASSI { 1569} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HN )) 2.400 0.700 0.700 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.47915E-02 ppm1 7.871 ppm2 7.325 CV 1 ASSI { 1570} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 3.100 1.200 1.200 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.10128E-02 ppm1 7.871 ppm2 7.633 CV 1 ASSI { 1571} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HG3 )) 3.100 1.200 1.200 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.10102E-02 ppm1 8.640 ppm2 1.446 CV 1 OR { 1571} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HG2 )) ASSI { 1572} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HA2 )) 3.300 3.300 2.700 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.70621E-03 ppm1 8.640 ppm2 3.643 CV 1 ASSI { 1573} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HA )) 2.900 1.000 1.000 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.16611E-02 ppm1 8.640 ppm2 4.727 CV 1 ASSI { 1574} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HN )) 2.200 0.600 0.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.84941E-02 ppm1 8.640 ppm2 7.638 CV 1 OR { 1574} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) ASSI { 1575} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HG3 )) 3.500 1.600 1.600 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.46756E-03 ppm1 7.657 ppm2 2.274 CV 1 OR { 1575} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HG2 )) ASSI { 1576} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.300 1.300 1.300 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.77755E-03 ppm1 7.657 ppm2 2.068 CV 1 OR { 1576} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HB2 )) ASSI { 1577} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.100 1.200 1.200 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.10950E-02 ppm1 7.657 ppm2 1.858 CV 1 OR { 1577} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB2 )) ASSI { 1578} (( segid " " and resid 154 and name HN )) ( segid " " and resid 93 and name HD2%) 3.000 1.100 1.100 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.12294E-02 ppm1 7.682 ppm2 0.877 CV 1 OR { 1578} (( segid " " and resid 154 and name HN )) ( segid " " and resid 152 and name HG1%) OR { 1578} (( segid " " and resid 154 and name HN )) ( segid " " and resid 93 and name HD1%) ASSI { 1579} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB3 )) 2.900 1.000 1.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.16306E-02 ppm1 7.682 ppm2 1.529 CV 1 ASSI { 1582} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 2.700 0.900 0.900 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.24288E-02 ppm1 7.682 ppm2 1.859 CV 1 ASSI { 1583} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HB2 )) 3.200 1.200 1.200 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.94092E-03 ppm1 9.835 ppm2 1.858 CV 1 ASSI { 1584} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 2.500 0.800 0.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.36561E-02 ppm1 9.832 ppm2 7.642 CV 1 ASSI { 1585} (( segid " " and resid 105 and name HN )) (( segid " " and resid 107 and name HN )) 3.100 1.200 1.200 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.11146E-02 ppm1 9.832 ppm2 7.067 CV 1 ASSI { 1587} (( segid " " and resid 105 and name HD21)) (( segid " " and resid 105 and name HB2 )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.26516E-02 ppm1 7.608 ppm2 2.090 CV 1 ASSI { 1588} (( segid " " and resid 105 and name HD21)) (( segid " " and resid 103 and name HB2 )) 3.400 1.400 1.400 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.64210E-03 ppm1 7.608 ppm2 1.865 CV 1 ASSI { 1589} (( segid " " and resid 10 and name HD22)) (( segid " " and resid 10 and name HA )) 3.900 1.900 1.900 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.25627E-03 ppm1 6.996 ppm2 4.546 CV 1 OR { 1589} (( segid " " and resid 64 and name HD21)) (( segid " " and resid 64 and name HA )) ASSI { 1591} (( segid " " and resid 105 and name HD22)) (( segid " " and resid 103 and name HB3 )) 2.700 0.900 0.900 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.23192E-02 ppm1 6.996 ppm2 2.090 CV 1 OR { 1591} (( segid " " and resid 105 and name HD22)) (( segid " " and resid 105 and name HB2 )) ASSI { 1592} (( segid " " and resid 105 and name HD22)) (( segid " " and resid 103 and name HB2 )) 3.100 1.200 1.200 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.10898E-02 ppm1 6.996 ppm2 1.867 CV 1 ASSI { 1593} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HN )) 3.500 1.500 1.500 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.49398E-03 ppm1 10.867 ppm2 7.637 CV 1 ASSI { 1594} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 2.600 0.900 0.900 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.29324E-02 ppm1 10.867 ppm2 7.083 CV 1 ASSI { 1595} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB2 )) 3.100 1.200 1.200 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.11379E-02 ppm1 10.867 ppm2 2.070 CV 1 ASSI { 1596} (( segid " " and resid 107 and name HN )) ( segid " " and resid 143 and name HG2%) 4.000 2.000 2.000 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.23730E-03 ppm1 7.090 ppm2 0.658 CV 1 ASSI { 1597} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HG12)) 3.900 1.900 1.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.25751E-03 ppm1 7.090 ppm2 1.071 CV 1 OR { 1597} (( segid " " and resid 107 and name HN )) ( segid " " and resid 112 and name HG1%) ASSI { 1598} (( segid " " and resid 107 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.800 1.800 1.800 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.32358E-03 ppm1 7.090 ppm2 1.597 CV 1 ASSI { 1599} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.600 0.900 0.900 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.27349E-02 ppm1 7.090 ppm2 2.068 CV 1 ASSI { 1601} (( segid " " and resid 107 and name HN )) (( segid " " and resid 101 and name HA )) 3.900 1.900 1.900 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.27912E-03 ppm1 7.090 ppm2 4.719 CV 1 OR { 1601} (( segid " " and resid 107 and name HN )) (( segid " " and resid 109 and name HA )) ASSI { 1602} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HD% ) 3.000 1.100 1.100 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.12144E-02 ppm1 7.090 ppm2 6.649 CV 1 ASSI { 1603} (( segid " " and resid 108 and name HN )) (( segid " " and resid 144 and name HB )) 3.100 1.200 1.200 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.98435E-03 ppm1 8.995 ppm2 2.156 CV 1 ASSI { 1604} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 2.800 1.000 1.000 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.20602E-02 ppm1 8.995 ppm2 2.687 CV 1 ASSI { 1605} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB3 )) 3.000 1.100 1.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.13757E-02 ppm1 8.995 ppm2 3.077 CV 1 ASSI { 1606} (( segid " " and resid 108 and name HN )) (( segid " " and resid 143 and name HB )) 3.300 1.400 1.400 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.69794E-03 ppm1 8.995 ppm2 3.748 CV 1 ASSI { 1607} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HD% ) 3.100 1.200 1.200 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.10433E-02 ppm1 8.995 ppm2 6.654 CV 1 ASSI { 1608} (( segid " " and resid 108 and name HN )) ( segid " " and resid 97 and name HE% ) 3.300 3.300 2.700 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.67364E-03 ppm1 8.995 ppm2 6.955 CV 1 ASSI { 1609} (( segid " " and resid 108 and name HN )) (( segid " " and resid 97 and name HZ )) 3.200 3.200 2.800 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.94919E-03 ppm1 8.995 ppm2 7.197 CV 1 OR { 1609} (( segid " " and resid 108 and name HN )) ( segid " " and resid 146 and name HE% ) ASSI { 1610} (( segid " " and resid 109 and name HN )) ( segid " " and resid 143 and name HG2%) 3.300 1.400 1.400 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.66950E-03 ppm1 9.012 ppm2 0.620 CV 1 OR { 1610} (( segid " " and resid 109 and name HN )) ( segid " " and resid 108 and name HD1%) ASSI { 1611} (( segid " " and resid 109 and name HN )) ( segid " " and resid 112 and name HG2%) 3.400 1.500 1.500 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.55421E-03 ppm1 9.012 ppm2 0.863 CV 1 ASSI { 1612} (( segid " " and resid 109 and name HN )) ( segid " " and resid 112 and name HG1%) 3.000 1.100 1.100 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.12242E-02 ppm1 9.012 ppm2 1.078 CV 1 ASSI { 1613} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HG13)) 3.500 1.600 1.600 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.48752E-03 ppm1 9.012 ppm2 1.392 CV 1 ASSI { 1614} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB )) 2.600 0.800 0.800 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.30451E-02 ppm1 9.012 ppm2 1.807 CV 1 ASSI { 1615} (( segid " " and resid 109 and name HN )) (( segid " " and resid 112 and name HB )) 3.000 1.100 1.100 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.12775E-02 ppm1 9.012 ppm2 2.118 CV 1 ASSI { 1616} (( segid " " and resid 109 and name HN )) (( segid " " and resid 112 and name HN )) 3.900 1.900 1.900 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.26082E-03 ppm1 9.012 ppm2 7.621 CV 1 OR { 1616} (( segid " " and resid 109 and name HN )) (( segid " " and resid 102 and name HN )) ASSI { 1617} (( segid " " and resid 110 and name HN )) ( segid " " and resid 144 and name HG2%) 3.100 1.200 1.200 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.10567E-02 ppm1 8.347 ppm2 0.663 CV 1 OR { 1617} (( segid " " and resid 110 and name HN )) ( segid " " and resid 143 and name HG2%) ASSI { 1618} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HB2 )) 3.800 1.800 1.800 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.31195E-03 ppm1 8.347 ppm2 2.638 CV 1 ASSI { 1619} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.000 1.100 1.100 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.13276E-02 ppm1 8.347 ppm2 4.148 CV 1 ASSI { 1622} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) 3.700 1.700 1.700 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.35843E-03 ppm1 8.347 ppm2 8.997 CV 1 ASSI { 1623} (( segid " " and resid 110 and name HN )) (( segid " " and resid 144 and name HN )) 3.900 1.900 1.900 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.26206E-03 ppm1 8.347 ppm2 9.900 CV 1 ASSI { 1624} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HB )) 3.300 3.300 2.700 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.76359E-03 ppm1 8.132 ppm2 2.115 CV 1 ASSI { 1625} (( segid " " and resid 111 and name HN )) ( segid " " and resid 110 and name HG2%) 3.100 1.200 1.200 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.10252E-02 ppm1 8.132 ppm2 1.049 CV 1 ASSI { 1626} (( segid " " and resid 111 and name HN )) ( segid " " and resid 133 and name HD1%) 3.500 1.600 1.600 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.47403E-03 ppm1 8.132 ppm2 0.643 CV 1 OR { 1626} (( segid " " and resid 111 and name HN )) ( segid " " and resid 144 and name HG2%) OR { 1626} (( segid " " and resid 111 and name HN )) ( segid " " and resid 143 and name HG2%) ASSI { 1627} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 3.000 1.100 1.100 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 8.133 ppm2 3.781 CV 1 ASSI { 1628} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.000 1.100 1.100 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.13225E-02 ppm1 8.133 ppm2 4.150 CV 1 ASSI { 1629} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.700 0.900 0.900 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.22763E-02 ppm1 8.133 ppm2 4.567 CV 1 ASSI { 1631} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HN )) 2.600 0.900 0.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.28279E-02 ppm1 8.133 ppm2 7.611 CV 1 ASSI { 1632} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HN )) 2.500 0.800 0.800 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.133 ppm2 8.340 CV 1 ASSI { 1633} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HN )) 3.800 1.800 1.800 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.31319E-03 ppm1 8.133 ppm2 8.997 CV 1 ASSI { 1634} (( segid " " and resid 111 and name HN )) (( segid " " and resid 113 and name HN )) 3.200 1.300 1.300 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.84011E-03 ppm1 8.133 ppm2 7.794 CV 1 ASSI { 1635} (( segid " " and resid 137 and name HN )) ( segid " " and resid 144 and name HG2%) 3.500 1.500 1.500 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.50163E-03 ppm1 8.307 ppm2 0.611 CV 1 OR { 1635} (( segid " " and resid 137 and name HN )) ( segid " " and resid 133 and name HD1%) ASSI { 1636} (( segid " " and resid 137 and name HN )) ( segid " " and resid 136 and name HG2%) 2.700 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.26651E-02 ppm1 8.307 ppm2 0.862 CV 1 OR { 1636} (( segid " " and resid 137 and name HN )) ( segid " " and resid 133 and name HG2%) ASSI { 1637} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB )) 2.600 0.800 0.800 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.29748E-02 ppm1 8.307 ppm2 1.645 CV 1 ASSI { 1640} (( segid " " and resid 137 and name HN )) (( segid " " and resid 134 and name HA )) 3.300 1.400 1.400 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.69121E-03 ppm1 8.307 ppm2 4.377 CV 1 ASSI { 1641} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 3.300 1.400 1.400 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.73206E-03 ppm1 8.307 ppm2 8.030 CV 1 ASSI { 1642} (( segid " " and resid 73 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.400 1.400 1.400 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.64727E-03 ppm1 8.264 ppm2 2.637 CV 1 OR { 1642} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HB2 )) ASSI { 1643} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB3 )) 3.000 1.200 1.200 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.11829E-02 ppm1 8.264 ppm2 3.062 CV 1 ASSI { 1644} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HA )) 3.000 1.100 1.100 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 8.264 ppm2 4.042 CV 1 OR { 1644} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HA )) OR { 1644} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HA )) ASSI { 1645} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 3.300 1.300 1.300 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.77755E-03 ppm1 8.264 ppm2 3.757 CV 1 ASSI { 1646} (( segid " " and resid 73 and name HN )) (( segid " " and resid 69 and name HA )) 3.300 1.300 1.300 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.75067E-03 ppm1 8.264 ppm2 3.522 CV 1 ASSI { 1647} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HN )) 3.600 1.600 1.600 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.42528E-03 ppm1 8.268 ppm2 7.217 CV 1 ASSI { 1648} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 2.700 0.900 0.900 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.22494E-02 ppm1 8.268 ppm2 6.865 CV 1 ASSI { 1649} (( segid " " and resid 73 and name HN )) ( segid " " and resid 69 and name HD% ) 3.700 1.700 1.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.36417E-03 ppm1 8.268 ppm2 6.497 CV 1 ASSI { 1650} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HN )) 2.600 0.900 0.900 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.28176E-02 ppm1 8.727 ppm2 8.134 CV 1 ASSI { 1651} (( segid " " and resid 148 and name HN )) ( segid " " and resid 138 and name HB% ) 3.900 1.900 1.900 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.25751E-03 ppm1 8.727 ppm2 1.587 CV 1 OR { 1651} (( segid " " and resid 148 and name HN )) (( segid " " and resid 150 and name HB3 )) ASSI { 1652} (( segid " " and resid 148 and name HN )) ( segid " " and resid 144 and name HG1%) 3.300 1.400 1.400 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.71448E-03 ppm1 8.727 ppm2 1.235 CV 1 ASSI { 1653} (( segid " " and resid 148 and name HN )) ( segid " " and resid 136 and name HG2%) 3.700 1.700 1.700 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.39002E-03 ppm1 8.727 ppm2 0.863 CV 1 OR { 1653} (( segid " " and resid 148 and name HN )) ( segid " " and resid 152 and name HG1%) ASSI { 1654} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 3.000 1.200 1.200 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.11612E-02 ppm1 8.727 ppm2 3.679 CV 1 ASSI { 1655} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HA )) 3.600 1.700 1.700 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.40527E-03 ppm1 8.727 ppm2 3.284 CV 1 ASSI { 1656} (( segid " " and resid 149 and name HN )) (( segid " " and resid 146 and name HA )) 3.000 3.000 3.000 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.14036E-02 ppm1 8.618 ppm2 3.245 CV 1 ASSI { 1657} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB3 )) 2.700 0.900 0.900 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.24257E-02 ppm1 8.618 ppm2 2.442 CV 1 ASSI { 1658} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.800 1.000 1.000 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.18327E-02 ppm1 8.618 ppm2 2.064 CV 1 ASSI { 1659} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HB3 )) 3.500 1.600 1.600 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.48695E-03 ppm1 8.618 ppm2 1.656 CV 1 ASSI { 1660} (( segid " " and resid 149 and name HN )) ( segid " " and resid 144 and name HG1%) 2.600 0.900 0.900 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.27778E-02 ppm1 8.618 ppm2 1.234 CV 1 ASSI { 1661} (( segid " " and resid 149 and name HN )) ( segid " " and resid 136 and name HG2%) 3.200 1.300 1.300 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.91869E-03 ppm1 8.618 ppm2 0.866 CV 1 OR { 1661} (( segid " " and resid 149 and name HN )) ( segid " " and resid 152 and name HG1%) ASSI { 1662} (( segid " " and resid 149 and name HN )) ( segid " " and resid 144 and name HG2%) 3.800 1.800 1.800 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.28827E-03 ppm1 8.618 ppm2 0.629 CV 1 OR { 1662} (( segid " " and resid 149 and name HN )) ( segid " " and resid 108 and name HD1%) ASSI { 1663} (( segid " " and resid 149 and name HN )) (( segid " " and resid 147 and name HA )) 3.300 1.300 1.300 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.76721E-03 ppm1 8.618 ppm2 3.680 CV 1 OR { 1663} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HA )) ASSI { 1665} (( segid " " and resid 149 and name HN )) (( segid " " and resid 144 and name HA )) 3.700 1.700 1.700 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.35760E-03 ppm1 8.618 ppm2 5.084 CV 1 ASSI { 1666} (( segid " " and resid 149 and name HN )) ( segid " " and resid 149 and name HD% ) 2.900 2.900 3.100 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 8.618 ppm2 7.014 CV 1 ASSI { 1667} (( segid " " and resid 149 and name HN )) ( segid " " and resid 146 and name HD% ) 4.000 2.000 2.000 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.23554E-03 ppm1 8.618 ppm2 6.584 CV 1 ASSI { 1669} (( segid " " and resid 149 and name HN )) (( segid " " and resid 147 and name HN )) 3.500 1.500 1.500 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.50396E-03 ppm1 8.618 ppm2 8.133 CV 1 ASSI { 1670} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HG3 )) 3.600 1.600 1.600 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.43350E-03 ppm1 7.805 ppm2 3.051 CV 1 OR { 1670} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HB2 )) OR { 1670} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HG2 )) ASSI { 1671} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HB )) 3.000 3.000 3.000 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.11612E-02 ppm1 7.805 ppm2 1.970 CV 1 ASSI { 1672} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB3 )) 2.800 1.000 1.000 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.21135E-02 ppm1 7.805 ppm2 1.645 CV 1 ASSI { 1673} (( segid " " and resid 151 and name HN )) ( segid " " and resid 152 and name HG1%) 3.200 1.300 1.300 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.86958E-03 ppm1 7.805 ppm2 0.864 CV 1 ASSI { 1674} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.700 0.900 0.900 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 7.805 ppm2 8.779 CV 1 ASSI { 1675} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HN )) 3.700 1.700 1.700 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.34597E-03 ppm1 7.805 ppm2 8.585 CV 1 ASSI { 1676} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HB3 )) 3.500 1.500 1.500 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.49104E-03 ppm1 7.105 ppm2 1.516 CV 1 ASSI { 1677} (( segid " " and resid 152 and name HN )) ( segid " " and resid 154 and name HG2%) 4.000 2.000 2.000 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.23611E-03 ppm1 7.105 ppm2 1.206 CV 1 ASSI { 1678} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA2 )) 3.000 1.100 1.100 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.12625E-02 ppm1 7.105 ppm2 3.724 CV 1 ASSI { 1679} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA1 )) 2.800 1.000 1.000 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 7.105 ppm2 3.930 CV 1 OR { 1679} (( segid " " and resid 152 and name HN )) (( segid " " and resid 149 and name HA )) ASSI { 1680} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HA )) 3.700 1.700 1.700 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.34390E-03 ppm1 7.105 ppm2 4.357 CV 1 ASSI { 1681} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB3 )) 2.500 0.800 0.800 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.34819E-02 ppm1 8.787 ppm2 1.604 CV 1 ASSI { 1682} (( segid " " and resid 150 and name HN )) ( segid " " and resid 152 and name HG1%) 3.600 1.600 1.600 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.40940E-03 ppm1 8.787 ppm2 0.879 CV 1 OR { 1682} (( segid " " and resid 150 and name HN )) ( segid " " and resid 93 and name HD2%) OR { 1682} (( segid " " and resid 150 and name HN )) ( segid " " and resid 136 and name HG2%) OR { 1682} (( segid " " and resid 32 and name HN )) ( segid " " and resid 36 and name HD1%) ASSI { 1683} (( segid " " and resid 32 and name HN )) (( segid " " and resid 35 and name HG3 )) 3.600 1.700 1.700 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.39824E-03 ppm1 8.787 ppm2 2.441 CV 1 OR { 1683} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB3 )) ASSI { 1684} (( segid " " and resid 150 and name HN )) (( segid " " and resid 146 and name HA )) 3.400 1.400 1.400 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.62194E-03 ppm1 8.788 ppm2 3.254 CV 1 ASSI { 1685} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.600 0.800 0.800 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.30265E-02 ppm1 8.789 ppm2 3.662 CV 1 ASSI { 1686} (( segid " " and resid 150 and name HN )) ( segid " " and resid 149 and name HD% ) 3.000 1.100 1.100 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.12496E-02 ppm1 8.789 ppm2 7.016 CV 1 ASSI { 1687} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 2.500 0.800 0.800 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.34023E-02 ppm1 7.858 ppm2 4.375 CV 1 OR { 1687} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 1689} (( segid " " and resid 155 and name HN )) ( segid " " and resid 154 and name HG2%) 3.200 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.82925E-03 ppm1 7.858 ppm2 1.147 CV 1 ASSI { 1690} (( segid " " and resid 155 and name HN )) ( segid " " and resid 152 and name HG1%) 3.600 1.700 1.700 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.40589E-03 ppm1 7.859 ppm2 0.879 CV 1 OR { 1690} (( segid " " and resid 155 and name HN )) ( segid " " and resid 93 and name HD2%) OR { 1690} (( segid " " and resid 155 and name HN )) ( segid " " and resid 93 and name HD1%) OR { 1690} (( segid " " and resid 63 and name HN )) ( segid " " and resid 56 and name HD1%) ASSI { 1691} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.900 1.900 1.900 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.26041E-03 ppm1 7.858 ppm2 1.844 CV 1 ASSI { 1693} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HB )) 3.700 1.700 1.700 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.37709E-03 ppm1 8.301 ppm2 4.341 CV 1 ASSI { 1695} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HN )) 3.000 1.200 1.200 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.11860E-02 ppm1 8.296 ppm2 7.850 CV 1 ASSI { 1696} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HB2 )) 3.700 1.800 1.800 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.33646E-03 ppm1 7.972 ppm2 2.677 CV 1 ASSI { 1697} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA )) 2.900 1.100 1.100 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.15199E-02 ppm1 7.972 ppm2 4.656 CV 1 ASSI { 1698} (( segid " " and resid 158 and name HN )) (( segid " " and resid 156 and name HA2 )) 3.300 1.400 1.400 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.70207E-03 ppm1 7.966 ppm2 4.034 CV 1 OR { 1698} (( segid " " and resid 158 and name HN )) (( segid " " and resid 156 and name HA1 )) ASSI { 1699} (( segid " " and resid 28 and name HN )) (( segid " " and resid 25 and name HG3 )) 3.500 1.500 1.500 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.49279E-03 ppm1 7.943 ppm2 1.769 CV 1 ASSI { 1700} (( segid " " and resid 28 and name HN )) (( segid " " and resid 25 and name HD3 )) 3.300 1.400 1.400 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.70414E-03 ppm1 7.943 ppm2 3.551 CV 1 ASSI { 1702} (( segid " " and resid 88 and name HE21)) (( segid " " and resid 88 and name HA )) 3.700 1.700 1.700 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.37709E-03 ppm1 6.849 ppm2 4.145 CV 1 OR { 1702} (( segid " " and resid 91 and name HE21)) (( segid " " and resid 87 and name HA )) OR { 1702} (( segid " " and resid 88 and name HE21)) (( segid " " and resid 84 and name HA )) ASSI { 1705} (( segid " " and resid 91 and name HE21)) ( segid " " and resid 93 and name HD2%) 3.700 1.700 1.700 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.38707E-03 ppm1 6.849 ppm2 0.920 CV 1 OR { 1705} (( segid " " and resid 88 and name HE21)) ( segid " " and resid 84 and name HG2%) OR { 1705} (( segid " " and resid 91 and name HE21)) ( segid " " and resid 93 and name HD1%) OR { 1705} (( segid " " and resid 88 and name HE21)) ( segid " " and resid 84 and name HG1%) ASSI { 1710} (( segid " " and resid 91 and name HE22)) ( segid " " and resid 93 and name HD2%) 3.900 1.900 1.900 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.24960E-03 ppm1 7.703 ppm2 0.925 CV 1 OR { 1710} (( segid " " and resid 91 and name HE22)) ( segid " " and resid 93 and name HD1%) OR { 1710} (( segid " " and resid 88 and name HE22)) ( segid " " and resid 84 and name HG2%) ASSI { 1711} (( segid " " and resid 96 and name HN )) ( segid " " and resid 93 and name HD1%) 2.900 2.900 3.100 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.15835E-02 ppm1 8.001 ppm2 0.933 CV 1 ASSI { 1712} (( segid " " and resid 96 and name HN )) ( segid " " and resid 99 and name HD2%) 3.400 3.400 2.600 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.56714E-03 ppm1 8.001 ppm2 0.712 CV 1 ASSI { 1713} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB3 )) 2.400 0.700 0.700 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.47915E-02 ppm1 8.001 ppm2 2.108 CV 1 OR { 1713} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) ASSI { 1714} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG3 )) 3.000 1.100 1.100 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 8.001 ppm2 2.361 CV 1 OR { 1714} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG2 )) ASSI { 1715} (( segid " " and resid 96 and name HN )) (( segid " " and resid 93 and name HA )) 2.700 0.900 0.900 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.22065E-02 ppm1 8.001 ppm2 4.466 CV 1 ASSI { 1717} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HB3 )) 3.500 1.500 1.500 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.53353E-03 ppm1 8.001 ppm2 3.087 CV 1 ASSI { 1719} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HN )) 2.500 0.800 0.800 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.41137E-02 ppm1 8.001 ppm2 8.472 CV 1 ASSI { 1720} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB3 )) 2.600 0.900 0.900 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.27649E-02 ppm1 7.941 ppm2 2.604 CV 1 ASSI { 1721} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.500 0.800 0.800 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.39286E-02 ppm1 7.941 ppm2 1.968 CV 1 ASSI { 1722} (( segid " " and resid 128 and name HN )) ( segid " " and resid 124 and name HD1%) 3.200 1.300 1.300 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.88095E-03 ppm1 7.941 ppm2 0.789 CV 1 ASSI { 1723} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) 2.400 0.700 0.700 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.51957E-02 ppm1 7.941 ppm2 8.365 CV 1 OR { 1723} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) ASSI { 1725} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.600 1.600 1.600 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.45872E-03 ppm1 7.740 ppm2 4.072 CV 1 ASSI { 1726} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HA )) 2.900 1.100 1.100 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.15199E-02 ppm1 7.740 ppm2 3.832 CV 1 ASSI { 1728} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 2.400 0.700 0.700 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.53095E-02 ppm1 7.740 ppm2 7.222 CV 1 ASSI { 1729} (( segid " " and resid 35 and name HN )) ( segid " " and resid 36 and name HD1%) 3.100 1.200 1.200 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 7.741 ppm2 0.887 CV 1 OR { 1729} (( segid " " and resid 35 and name HN )) ( segid " " and resid 56 and name HD1%) OR { 1729} (( segid " " and resid 35 and name HN )) ( segid " " and resid 36 and name HG2%) OR { 1729} (( segid " " and resid 35 and name HN )) ( segid " " and resid 52 and name HG2%) ASSI { 1730} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 35 and name HB2 )) 3.700 1.700 1.700 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.38883E-03 ppm1 6.770 ppm2 1.878 CV 1 ASSI { 1731} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 35 and name HG2 )) 3.100 1.200 1.200 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.99986E-03 ppm1 6.770 ppm2 2.288 CV 1 ASSI { 1732} (( segid " " and resid 35 and name HE22)) ( segid " " and resid 38 and name HD1%) 3.200 1.200 1.200 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.94919E-03 ppm1 6.770 ppm2 0.917 CV 1 ASSI { 1734} (( segid " " and resid 35 and name HE21)) ( segid " " and resid 38 and name HD1%) 3.100 1.200 1.200 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.97608E-03 ppm1 7.338 ppm2 0.922 CV 1 ASSI { 1735} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 35 and name HG2 )) 2.800 1.000 1.000 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.18255E-02 ppm1 7.338 ppm2 2.275 CV 1 ASSI { 1736} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 35 and name HA )) 3.400 1.400 1.400 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.66020E-03 ppm1 7.338 ppm2 4.514 CV 1 ASSI { 1737} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG )) 2.600 2.600 3.400 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.27845E-02 ppm1 8.397 ppm2 1.787 CV 1 ASSI { 1738} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.13607E-02 ppm1 8.193 ppm2 1.659 CV 1 ASSI { 1739} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB3 )) 2.700 0.900 0.900 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.21667E-02 ppm1 7.613 ppm2 1.548 CV 1 ASSI { 1740} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB3 )) 2.400 0.700 0.700 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.44327E-02 ppm1 10.377 ppm2 2.964 CV 1 ASSI { 1741} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB3 )) 2.700 0.900 0.900 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.23358E-02 ppm1 7.740 ppm2 2.178 CV 1 ASSI { 1742} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG2 )) 2.800 1.000 1.000 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.20602E-02 ppm1 7.788 ppm2 1.351 CV 1 OR { 1742} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HB3 )) ASSI { 1743} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB2 )) 2.100 0.600 0.600 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.97556E-02 ppm1 7.781 ppm2 1.981 CV 1 ASSI { 1744} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HG2 )) 2.800 2.800 3.200 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.20230E-02 ppm1 7.781 ppm2 1.606 CV 1 ASSI { 1746} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.400 0.700 0.700 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.52113E-02 ppm1 8.477 ppm2 1.863 CV 1 ASSI { 1747} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HG2 )) 2.200 0.600 0.600 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.79978E-02 ppm1 7.833 ppm2 1.854 CV 1 ASSI { 1749} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG2 )) 2.800 2.800 3.200 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.19573E-02 ppm1 7.305 ppm2 2.281 CV 1 ASSI { 1752} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 2.600 2.600 3.400 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.33739E-02 ppm1 8.406 ppm2 4.070 CV 1 ASSI { 1753} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB3 )) 2.300 0.600 0.600 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.69380E-02 ppm1 7.468 ppm2 2.700 CV 1 ASSI { 1754} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG3 )) 3.100 3.100 2.900 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.98797E-03 ppm1 8.916 ppm2 2.325 CV 1 ASSI { 1755} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.800 1.000 1.000 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.19170E-02 ppm1 8.787 ppm2 1.728 CV 1 ASSI { 1758} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.300 0.600 0.600 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.69845E-02 ppm1 8.750 ppm2 2.036 CV 1 ASSI { 1759} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB2 )) 2.500 2.500 3.500 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.39426E-02 ppm1 8.909 ppm2 2.213 CV 1 ASSI { 1760} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HG3 )) 2.600 0.800 0.800 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.30358E-02 ppm1 8.909 ppm2 2.315 CV 1 ASSI { 1761} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 3.000 1.100 1.100 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.13773E-02 ppm1 8.751 ppm2 8.190 CV 1 ASSI { 1762} (( segid " " and resid 92 and name HN )) ( segid " " and resid 93 and name HD2%) 3.400 1.500 1.500 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.56817E-03 ppm1 8.429 ppm2 0.883 CV 1 OR { 1762} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HG2%) OR { 1762} (( segid " " and resid 92 and name HN )) ( segid " " and resid 93 and name HD1%) ASSI { 1764} (( segid " " and resid 16 and name HN )) ( segid " " and resid 12 and name HG2%) 3.200 3.200 2.800 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.83184E-03 ppm1 9.092 ppm2 0.999 CV 1 ASSI { 1768} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.700 0.900 0.900 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.25255E-02 ppm1 8.314 ppm2 1.633 CV 1 ASSI { 1769} (( segid " " and resid 121 and name HN )) ( segid " " and resid 117 and name HD1%) 2.900 1.000 1.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.16425E-02 ppm1 7.717 ppm2 0.861 CV 1 OR { 1769} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HD1%) OR { 1769} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HD2%) ASSI { 1771} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB )) 2.600 0.800 0.800 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.29934E-02 ppm1 7.866 ppm2 1.952 CV 1 ASSI { 1772} (( segid " " and resid 57 and name HN )) ( segid " " and resid 56 and name HG2%) 3.000 1.100 1.100 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.13142E-02 ppm1 7.866 ppm2 1.021 CV 1 ASSI { 1773} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HG12)) 3.100 1.200 1.200 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.10717E-02 ppm1 7.866 ppm2 0.857 CV 1 OR { 1773} (( segid " " and resid 57 and name HN )) ( segid " " and resid 56 and name HD1%) ASSI { 1774} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.200 1.300 1.300 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.80237E-03 ppm1 7.866 ppm2 3.437 CV 1 ASSI { 1775} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) 2.700 0.900 0.900 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.24557E-02 ppm1 7.866 ppm2 8.417 CV 1 ASSI { 1776} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.25286E-02 ppm1 8.188 ppm2 4.167 CV 1 ASSI { 1777} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HG1%) 2.500 0.800 0.800 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.36277E-02 ppm1 7.593 ppm2 0.873 CV 1 ASSI { 1778} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) 2.700 0.900 0.900 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.26682E-02 ppm1 8.223 ppm2 2.711 CV 1
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